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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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/Mouse-43c2cb2c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mouse-43c2cb2c/inputs/seq.fa: 1 curr_seq: _AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGCUCGCUCUGAAGGCCUGUUUCCUAGGCUACAUACGAGGGACAUGUUCCUUAUCCUUUCGCCUAGGGGAAAGUCCCCGGACCACGGGCAGAGAGUGCCGCGUGCACACGCGCGUAGACUUCCCCCGCAAGUCACUGUUAGCCCGCCAAGAAGCGACCCCUCCGGGGCGAGCUGAGCGGCGUGCAGCGGGGCGUCAUCCGUCAGCUCACAUAGUGACGCAGGCAGUGCGACCUGGCUCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUAC 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 275 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: 1380 n_atoms_counter: 1380 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 275.000000 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: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1097.573027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.573027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.573027 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.000 local terms energy: -1070.198914 where: bonds (distance) C4'-P energy: -267.184 bonds (distance) P-C4' energy: -246.924 flat angles C4'-P-C4' energy: -201.912 flat angles P-C4'-P energy: -230.966 tors. eta vs tors. theta energy: -123.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1385.803474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.803474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.803474 (E_RNA) where: Base-Base interactions energy: -601.828 where: short stacking energy: -599.673 Base-Backbone interact. energy: -0.395 local terms energy: -783.580128 where: bonds (distance) C4'-P energy: -168.456 bonds (distance) P-C4' energy: -167.950 flat angles C4'-P-C4' energy: -189.145 flat angles P-C4'-P energy: -120.701 tors. eta vs tors. theta energy: -137.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1290.437516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.437516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.437516 (E_RNA) where: Base-Base interactions energy: -572.180 where: short stacking energy: -572.040 Base-Backbone interact. energy: -0.208 local terms energy: -718.050397 where: bonds (distance) C4'-P energy: -150.103 bonds (distance) P-C4' energy: -167.550 flat angles C4'-P-C4' energy: -167.667 flat angles P-C4'-P energy: -88.483 tors. eta vs tors. theta energy: -144.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1198.567717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.567717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.567717 (E_RNA) where: Base-Base interactions energy: -502.437 where: short stacking energy: -500.838 Base-Backbone interact. energy: -0.376 local terms energy: -695.755128 where: bonds (distance) C4'-P energy: -162.165 bonds (distance) P-C4' energy: -152.682 flat angles C4'-P-C4' energy: -173.662 flat angles P-C4'-P energy: -87.821 tors. eta vs tors. theta energy: -119.425 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1149.805507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.805507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.805507 (E_RNA) where: Base-Base interactions energy: -446.259 where: short stacking energy: -445.113 Base-Backbone interact. energy: -0.146 local terms energy: -703.401309 where: bonds (distance) C4'-P energy: -157.449 bonds (distance) P-C4' energy: -171.979 flat angles C4'-P-C4' energy: -169.402 flat angles P-C4'-P energy: -77.687 tors. eta vs tors. theta energy: -126.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1104.563677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.563677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.563677 (E_RNA) where: Base-Base interactions energy: -172.101 where: short stacking energy: -172.101 Base-Backbone interact. energy: -0.000 local terms energy: -932.462628 where: bonds (distance) C4'-P energy: -198.662 bonds (distance) P-C4' energy: -178.929 flat angles C4'-P-C4' energy: -202.032 flat angles P-C4'-P energy: -210.312 tors. eta vs tors. theta energy: -142.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1096.802434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.802434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.802434 (E_RNA) where: Base-Base interactions energy: -32.049 where: short stacking energy: -32.049 Base-Backbone interact. energy: -0.000 local terms energy: -1064.752886 where: bonds (distance) C4'-P energy: -264.713 bonds (distance) P-C4' energy: -243.088 flat angles C4'-P-C4' energy: -202.069 flat angles P-C4'-P energy: -230.395 tors. eta vs tors. theta energy: -124.488 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1096.731752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.731752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.731752 (E_RNA) where: Base-Base interactions energy: -30.797 where: short stacking energy: -30.797 Base-Backbone interact. energy: -0.000 local terms energy: -1065.934363 where: bonds (distance) C4'-P energy: -266.303 bonds (distance) P-C4' energy: -243.588 flat angles C4'-P-C4' energy: -201.963 flat angles P-C4'-P energy: -230.448 tors. eta vs tors. theta energy: -123.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1096.772866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.772866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.772866 (E_RNA) where: Base-Base interactions energy: -38.667 where: short stacking energy: -38.667 Base-Backbone interact. energy: -0.000 local terms energy: -1058.105521 where: bonds (distance) C4'-P energy: -263.144 bonds (distance) P-C4' energy: -238.966 flat angles C4'-P-C4' energy: -202.181 flat angles P-C4'-P energy: -229.324 tors. eta vs tors. theta energy: -124.490 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1099.697234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.697234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.697234 (E_RNA) where: Base-Base interactions energy: -36.448 where: short stacking energy: -36.448 Base-Backbone interact. energy: -0.000 local terms energy: -1063.248938 where: bonds (distance) C4'-P energy: -265.492 bonds (distance) P-C4' energy: -241.059 flat angles C4'-P-C4' energy: -202.834 flat angles P-C4'-P energy: -229.700 tors. eta vs tors. theta energy: -124.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1101.738243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.738243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.738243 (E_RNA) where: Base-Base interactions energy: -39.017 where: short stacking energy: -39.017 Base-Backbone interact. energy: -0.000 local terms energy: -1062.721066 where: bonds (distance) C4'-P energy: -265.492 bonds (distance) P-C4' energy: -240.537 flat angles C4'-P-C4' energy: -202.834 flat angles P-C4'-P energy: -229.700 tors. eta vs tors. theta energy: -124.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1411.893156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.893156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.893156 (E_RNA) where: Base-Base interactions energy: -620.008 where: short stacking energy: -619.037 Base-Backbone interact. energy: 3.009 local terms energy: -794.894714 where: bonds (distance) C4'-P energy: -174.728 bonds (distance) P-C4' energy: -183.620 flat angles C4'-P-C4' energy: -186.909 flat angles P-C4'-P energy: -102.410 tors. eta vs tors. theta energy: -147.227 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: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1321.856294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.856294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.856294 (E_RNA) where: Base-Base interactions energy: -579.335 where: short stacking energy: -576.986 Base-Backbone interact. energy: 0.571 local terms energy: -743.091753 where: bonds (distance) C4'-P energy: -175.561 bonds (distance) P-C4' energy: -177.400 flat angles C4'-P-C4' energy: -158.347 flat angles P-C4'-P energy: -80.010 tors. eta vs tors. theta energy: -151.773 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1239.422581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.422581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.422581 (E_RNA) where: Base-Base interactions energy: -515.920 where: short stacking energy: -508.197 Base-Backbone interact. energy: -2.215 local terms energy: -721.288445 where: bonds (distance) C4'-P energy: -157.307 bonds (distance) P-C4' energy: -184.711 flat angles C4'-P-C4' energy: -140.531 flat angles P-C4'-P energy: -115.259 tors. eta vs tors. theta energy: -123.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1198.471370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.471370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.471370 (E_RNA) where: Base-Base interactions energy: -508.259 where: short stacking energy: -500.903 Base-Backbone interact. energy: 1.429 local terms energy: -691.641445 where: bonds (distance) C4'-P energy: -155.321 bonds (distance) P-C4' energy: -155.896 flat angles C4'-P-C4' energy: -162.964 flat angles P-C4'-P energy: -103.224 tors. eta vs tors. theta energy: -114.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1066.651293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.651293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.651293 (E_RNA) where: Base-Base interactions energy: -436.097 where: short stacking energy: -430.422 Base-Backbone interact. energy: 5.536 local terms energy: -636.090244 where: bonds (distance) C4'-P energy: -153.721 bonds (distance) P-C4' energy: -142.297 flat angles C4'-P-C4' energy: -142.866 flat angles P-C4'-P energy: -100.526 tors. eta vs tors. theta energy: -96.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -944.387601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.387601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.387601 (E_RNA) where: Base-Base interactions energy: -388.026 where: short stacking energy: -371.817 Base-Backbone interact. energy: 2.353 local terms energy: -558.714737 where: bonds (distance) C4'-P energy: -154.158 bonds (distance) P-C4' energy: -142.064 flat angles C4'-P-C4' energy: -151.578 flat angles P-C4'-P energy: -69.445 tors. eta vs tors. theta energy: -41.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -883.931493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.931493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.931493 (E_RNA) where: Base-Base interactions energy: -349.421 where: short stacking energy: -336.855 Base-Backbone interact. energy: 8.114 local terms energy: -542.624507 where: bonds (distance) C4'-P energy: -138.167 bonds (distance) P-C4' energy: -144.599 flat angles C4'-P-C4' energy: -135.007 flat angles P-C4'-P energy: -83.278 tors. eta vs tors. theta energy: -41.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -804.629853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.629853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.629853 (E_RNA) where: Base-Base interactions energy: -274.362 where: short stacking energy: -256.319 Base-Backbone interact. energy: -0.729 local terms energy: -529.538407 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -148.326 flat angles C4'-P-C4' energy: -138.403 flat angles P-C4'-P energy: -79.477 tors. eta vs tors. theta energy: -17.605 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: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -747.525685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.525685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.525685 (E_RNA) where: Base-Base interactions energy: -263.863 where: short stacking energy: -245.097 Base-Backbone interact. energy: 2.467 local terms energy: -486.129946 where: bonds (distance) C4'-P energy: -146.522 bonds (distance) P-C4' energy: -145.430 flat angles C4'-P-C4' energy: -133.983 flat angles P-C4'-P energy: -70.514 tors. eta vs tors. theta energy: 10.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -675.620310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.620310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.620310 (E_RNA) where: Base-Base interactions energy: -255.139 where: short stacking energy: -228.890 Base-Backbone interact. energy: 0.517 local terms energy: -420.998714 where: bonds (distance) C4'-P energy: -130.258 bonds (distance) P-C4' energy: -148.687 flat angles C4'-P-C4' energy: -113.058 flat angles P-C4'-P energy: -35.954 tors. eta vs tors. theta energy: 6.959 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1464.232522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.232522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.232522 (E_RNA) where: Base-Base interactions energy: -642.869 where: short stacking energy: -641.294 Base-Backbone interact. energy: -0.187 local terms energy: -821.176544 where: bonds (distance) C4'-P energy: -165.730 bonds (distance) P-C4' energy: -167.427 flat angles C4'-P-C4' energy: -202.589 flat angles P-C4'-P energy: -123.477 tors. eta vs tors. theta energy: -161.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1371.635972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.635972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.635972 (E_RNA) where: Base-Base interactions energy: -601.715 where: short stacking energy: -598.191 Base-Backbone interact. energy: -0.559 local terms energy: -769.362692 where: bonds (distance) C4'-P energy: -173.515 bonds (distance) P-C4' energy: -177.058 flat angles C4'-P-C4' energy: -171.978 flat angles P-C4'-P energy: -100.945 tors. eta vs tors. theta energy: -145.866 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: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1285.129449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.129449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.129449 (E_RNA) where: Base-Base interactions energy: -570.378 where: short stacking energy: -527.684 Base-Backbone interact. energy: -0.184 local terms energy: -714.568019 where: bonds (distance) C4'-P energy: -156.322 bonds (distance) P-C4' energy: -169.485 flat angles C4'-P-C4' energy: -160.423 flat angles P-C4'-P energy: -102.148 tors. eta vs tors. theta energy: -126.191 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1178.754243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.754243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.754243 (E_RNA) where: Base-Base interactions energy: -497.792 where: short stacking energy: -476.537 Base-Backbone interact. energy: 1.208 local terms energy: -682.170232 where: bonds (distance) C4'-P energy: -148.581 bonds (distance) P-C4' energy: -165.888 flat angles C4'-P-C4' energy: -168.013 flat angles P-C4'-P energy: -106.480 tors. eta vs tors. theta energy: -93.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1040.245938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.245938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.245938 (E_RNA) where: Base-Base interactions energy: -454.795 where: short stacking energy: -424.087 Base-Backbone interact. energy: -1.249 local terms energy: -584.201929 where: bonds (distance) C4'-P energy: -146.641 bonds (distance) P-C4' energy: -143.565 flat angles C4'-P-C4' energy: -138.283 flat angles P-C4'-P energy: -79.364 tors. eta vs tors. theta energy: -76.350 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -969.412010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.412010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.412010 (E_RNA) where: Base-Base interactions energy: -382.298 where: short stacking energy: -361.311 Base-Backbone interact. energy: 0.362 local terms energy: -587.476130 where: bonds (distance) C4'-P energy: -147.096 bonds (distance) P-C4' energy: -162.794 flat angles C4'-P-C4' energy: -139.579 flat angles P-C4'-P energy: -92.743 tors. eta vs tors. theta energy: -45.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -861.583656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.583656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.583656 (E_RNA) where: Base-Base interactions energy: -326.818 where: short stacking energy: -286.353 Base-Backbone interact. energy: 0.671 local terms energy: -535.436859 where: bonds (distance) C4'-P energy: -133.776 bonds (distance) P-C4' energy: -153.428 flat angles C4'-P-C4' energy: -149.762 flat angles P-C4'-P energy: -78.800 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -806.021179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.021179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.021179 (E_RNA) where: Base-Base interactions energy: -293.917 where: short stacking energy: -271.694 Base-Backbone interact. energy: 1.827 local terms energy: -513.932003 where: bonds (distance) C4'-P energy: -148.543 bonds (distance) P-C4' energy: -141.497 flat angles C4'-P-C4' energy: -132.041 flat angles P-C4'-P energy: -84.530 tors. eta vs tors. theta energy: -7.320 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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -738.604735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.604735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.604735 (E_RNA) where: Base-Base interactions energy: -269.796 where: short stacking energy: -241.853 Base-Backbone interact. energy: -2.203 local terms energy: -466.605920 where: bonds (distance) C4'-P energy: -127.128 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -126.206 flat angles P-C4'-P energy: -71.276 tors. eta vs tors. theta energy: 1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -652.122582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.122582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.122582 (E_RNA) where: Base-Base interactions energy: -219.950 where: short stacking energy: -215.752 Base-Backbone interact. energy: 1.455 local terms energy: -433.628035 where: bonds (distance) C4'-P energy: -146.882 bonds (distance) P-C4' energy: -137.686 flat angles C4'-P-C4' energy: -103.230 flat angles P-C4'-P energy: -50.122 tors. eta vs tors. theta energy: 4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1465.899140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.899140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.899140 (E_RNA) where: Base-Base interactions energy: -671.037 where: short stacking energy: -664.078 Base-Backbone interact. energy: -0.780 local terms energy: -794.082981 where: bonds (distance) C4'-P energy: -167.697 bonds (distance) P-C4' energy: -170.558 flat angles C4'-P-C4' energy: -193.050 flat angles P-C4'-P energy: -112.982 tors. eta vs tors. theta energy: -149.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1404.945141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.945141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.945141 (E_RNA) where: Base-Base interactions energy: -625.096 where: short stacking energy: -607.367 Base-Backbone interact. energy: 0.401 local terms energy: -780.249418 where: bonds (distance) C4'-P energy: -159.056 bonds (distance) P-C4' energy: -172.598 flat angles C4'-P-C4' energy: -181.798 flat angles P-C4'-P energy: -99.944 tors. eta vs tors. theta energy: -166.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1296.702037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.702037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.702037 (E_RNA) where: Base-Base interactions energy: -574.173 where: short stacking energy: -532.195 Base-Backbone interact. energy: -0.509 local terms energy: -722.019885 where: bonds (distance) C4'-P energy: -142.971 bonds (distance) P-C4' energy: -167.582 flat angles C4'-P-C4' energy: -161.548 flat angles P-C4'-P energy: -108.514 tors. eta vs tors. theta energy: -141.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1158.375634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.375634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.375634 (E_RNA) where: Base-Base interactions energy: -514.327 where: short stacking energy: -446.682 Base-Backbone interact. energy: -0.914 local terms energy: -643.134284 where: bonds (distance) C4'-P energy: -154.593 bonds (distance) P-C4' energy: -141.896 flat angles C4'-P-C4' energy: -158.847 flat angles P-C4'-P energy: -102.396 tors. eta vs tors. theta energy: -85.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1053.917022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.917022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.917022 (E_RNA) where: Base-Base interactions energy: -430.714 where: short stacking energy: -397.483 Base-Backbone interact. energy: 0.369 local terms energy: -623.571995 where: bonds (distance) C4'-P energy: -143.784 bonds (distance) P-C4' energy: -176.228 flat angles C4'-P-C4' energy: -154.554 flat angles P-C4'-P energy: -91.333 tors. eta vs tors. theta energy: -57.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -993.237953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.237953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.237953 (E_RNA) where: Base-Base interactions energy: -413.841 where: short stacking energy: -351.406 Base-Backbone interact. energy: 3.220 local terms energy: -582.616924 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -157.974 flat angles C4'-P-C4' energy: -133.885 flat angles P-C4'-P energy: -90.523 tors. eta vs tors. theta energy: -53.376 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: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -880.454643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.454643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.454643 (E_RNA) where: Base-Base interactions energy: -320.461 where: short stacking energy: -303.129 Base-Backbone interact. energy: 6.174 local terms energy: -566.167331 where: bonds (distance) C4'-P energy: -159.081 bonds (distance) P-C4' energy: -149.283 flat angles C4'-P-C4' energy: -152.999 flat angles P-C4'-P energy: -78.319 tors. eta vs tors. theta energy: -26.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -860.497274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.497274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.497274 (E_RNA) where: Base-Base interactions energy: -365.336 where: short stacking energy: -284.673 Base-Backbone interact. energy: 2.612 local terms energy: -497.773105 where: bonds (distance) C4'-P energy: -156.525 bonds (distance) P-C4' energy: -125.641 flat angles C4'-P-C4' energy: -121.368 flat angles P-C4'-P energy: -81.571 tors. eta vs tors. theta energy: -12.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -702.640080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.640080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.640080 (E_RNA) where: Base-Base interactions energy: -253.511 where: short stacking energy: -221.250 Base-Backbone interact. energy: -0.767 local terms energy: -448.362264 where: bonds (distance) C4'-P energy: -153.085 bonds (distance) P-C4' energy: -132.257 flat angles C4'-P-C4' energy: -103.027 flat angles P-C4'-P energy: -72.147 tors. eta vs tors. theta energy: 12.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -670.108507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.108507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.108507 (E_RNA) where: Base-Base interactions energy: -250.435 where: short stacking energy: -192.221 Base-Backbone interact. energy: 0.829 local terms energy: -420.502546 where: bonds (distance) C4'-P energy: -146.217 bonds (distance) P-C4' energy: -129.768 flat angles C4'-P-C4' energy: -101.269 flat angles P-C4'-P energy: -61.834 tors. eta vs tors. theta energy: 18.585 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: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1536.882892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.882892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.882892 (E_RNA) where: Base-Base interactions energy: -724.458 where: short stacking energy: -674.338 Base-Backbone interact. energy: -2.006 local terms energy: -810.418817 where: bonds (distance) C4'-P energy: -179.427 bonds (distance) P-C4' energy: -160.182 flat angles C4'-P-C4' energy: -175.531 flat angles P-C4'-P energy: -121.735 tors. eta vs tors. theta energy: -173.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1444.423828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.423828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.423828 (E_RNA) where: Base-Base interactions energy: -651.109 where: short stacking energy: -618.527 Base-Backbone interact. energy: -0.055 local terms energy: -793.259365 where: bonds (distance) C4'-P energy: -171.692 bonds (distance) P-C4' energy: -163.861 flat angles C4'-P-C4' energy: -168.148 flat angles P-C4'-P energy: -114.376 tors. eta vs tors. theta energy: -175.184 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: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1372.995839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.995839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.995839 (E_RNA) where: Base-Base interactions energy: -627.434 where: short stacking energy: -554.816 Base-Backbone interact. energy: -0.474 local terms energy: -745.088091 where: bonds (distance) C4'-P energy: -160.534 bonds (distance) P-C4' energy: -157.413 flat angles C4'-P-C4' energy: -180.737 flat angles P-C4'-P energy: -113.433 tors. eta vs tors. theta energy: -132.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1216.546122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.546122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.546122 (E_RNA) where: Base-Base interactions energy: -551.338 where: short stacking energy: -480.462 Base-Backbone interact. energy: 2.413 local terms energy: -667.621127 where: bonds (distance) C4'-P energy: -160.602 bonds (distance) P-C4' energy: -152.981 flat angles C4'-P-C4' energy: -171.796 flat angles P-C4'-P energy: -83.042 tors. eta vs tors. theta energy: -99.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1038.053682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.053682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.053682 (E_RNA) where: Base-Base interactions energy: -420.710 where: short stacking energy: -365.445 Base-Backbone interact. energy: 4.503 local terms energy: -621.846868 where: bonds (distance) C4'-P energy: -173.453 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -149.688 flat angles P-C4'-P energy: -99.650 tors. eta vs tors. theta energy: -57.540 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: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -967.267372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.267372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.267372 (E_RNA) where: Base-Base interactions energy: -426.509 where: short stacking energy: -345.070 Base-Backbone interact. energy: -4.237 local terms energy: -536.520983 where: bonds (distance) C4'-P energy: -161.112 bonds (distance) P-C4' energy: -134.626 flat angles C4'-P-C4' energy: -123.651 flat angles P-C4'-P energy: -71.540 tors. eta vs tors. theta energy: -45.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -962.123046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.123046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.123046 (E_RNA) where: Base-Base interactions energy: -447.473 where: short stacking energy: -306.924 Base-Backbone interact. energy: -1.644 local terms energy: -513.006427 where: bonds (distance) C4'-P energy: -133.557 bonds (distance) P-C4' energy: -160.487 flat angles C4'-P-C4' energy: -128.856 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -20.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -806.424162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.424162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.424162 (E_RNA) where: Base-Base interactions energy: -301.954 where: short stacking energy: -280.177 Base-Backbone interact. energy: -0.232 local terms energy: -504.238142 where: bonds (distance) C4'-P energy: -134.543 bonds (distance) P-C4' energy: -145.078 flat angles C4'-P-C4' energy: -141.939 flat angles P-C4'-P energy: -78.149 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -717.757769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.757769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.757769 (E_RNA) where: Base-Base interactions energy: -298.944 where: short stacking energy: -244.644 Base-Backbone interact. energy: 0.232 local terms energy: -419.045035 where: bonds (distance) C4'-P energy: -142.560 bonds (distance) P-C4' energy: -142.053 flat angles C4'-P-C4' energy: -83.144 flat angles P-C4'-P energy: -56.971 tors. eta vs tors. theta energy: 5.683 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: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -656.800153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.800153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.800153 (E_RNA) where: Base-Base interactions energy: -227.711 where: short stacking energy: -192.884 Base-Backbone interact. energy: -1.759 local terms energy: -427.330522 where: bonds (distance) C4'-P energy: -139.631 bonds (distance) P-C4' energy: -124.126 flat angles C4'-P-C4' energy: -123.856 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: 31.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1622.182337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.182337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.182337 (E_RNA) where: Base-Base interactions energy: -804.227 where: short stacking energy: -669.286 Base-Backbone interact. energy: -0.802 local terms energy: -817.153213 where: bonds (distance) C4'-P energy: -166.161 bonds (distance) P-C4' energy: -180.965 flat angles C4'-P-C4' energy: -177.905 flat angles P-C4'-P energy: -118.562 tors. eta vs tors. theta energy: -173.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1594.340095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.340095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.340095 (E_RNA) where: Base-Base interactions energy: -857.065 where: short stacking energy: -607.015 Base-Backbone interact. energy: -0.177 local terms energy: -737.098284 where: bonds (distance) C4'-P energy: -152.423 bonds (distance) P-C4' energy: -166.843 flat angles C4'-P-C4' energy: -163.599 flat angles P-C4'-P energy: -116.742 tors. eta vs tors. theta energy: -137.492 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: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1316.632662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.632662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.632662 (E_RNA) where: Base-Base interactions energy: -566.538 where: short stacking energy: -509.424 Base-Backbone interact. energy: -1.003 local terms energy: -749.091473 where: bonds (distance) C4'-P energy: -176.315 bonds (distance) P-C4' energy: -180.946 flat angles C4'-P-C4' energy: -166.549 flat angles P-C4'-P energy: -117.421 tors. eta vs tors. theta energy: -107.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1224.325739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.325739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.325739 (E_RNA) where: Base-Base interactions energy: -551.749 where: short stacking energy: -469.250 Base-Backbone interact. energy: -0.650 local terms energy: -671.926161 where: bonds (distance) C4'-P energy: -154.487 bonds (distance) P-C4' energy: -167.600 flat angles C4'-P-C4' energy: -154.470 flat angles P-C4'-P energy: -106.974 tors. eta vs tors. theta energy: -88.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1179.023786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.023786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.023786 (E_RNA) where: Base-Base interactions energy: -552.387 where: short stacking energy: -420.431 Base-Backbone interact. energy: 2.698 local terms energy: -629.334179 where: bonds (distance) C4'-P energy: -149.360 bonds (distance) P-C4' energy: -149.076 flat angles C4'-P-C4' energy: -151.362 flat angles P-C4'-P energy: -110.989 tors. eta vs tors. theta energy: -68.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1157.918754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.918754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.918754 (E_RNA) where: Base-Base interactions energy: -599.471 where: short stacking energy: -370.164 Base-Backbone interact. energy: 3.324 local terms energy: -561.772233 where: bonds (distance) C4'-P energy: -131.921 bonds (distance) P-C4' energy: -141.249 flat angles C4'-P-C4' energy: -151.533 flat angles P-C4'-P energy: -71.314 tors. eta vs tors. theta energy: -65.754 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: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -885.790966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.790966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.790966 (E_RNA) where: Base-Base interactions energy: -384.145 where: short stacking energy: -332.212 Base-Backbone interact. energy: 2.443 local terms energy: -504.088445 where: bonds (distance) C4'-P energy: -134.063 bonds (distance) P-C4' energy: -139.616 flat angles C4'-P-C4' energy: -139.589 flat angles P-C4'-P energy: -66.549 tors. eta vs tors. theta energy: -24.271 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: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -905.383515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.383515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.383515 (E_RNA) where: Base-Base interactions energy: -407.915 where: short stacking energy: -279.280 Base-Backbone interact. energy: 2.065 local terms energy: -499.533274 where: bonds (distance) C4'-P energy: -150.238 bonds (distance) P-C4' energy: -136.737 flat angles C4'-P-C4' energy: -119.121 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: -21.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -800.779721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.779721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.779721 (E_RNA) where: Base-Base interactions energy: -342.500 where: short stacking energy: -253.767 Base-Backbone interact. energy: -2.662 local terms energy: -455.617939 where: bonds (distance) C4'-P energy: -139.459 bonds (distance) P-C4' energy: -134.630 flat angles C4'-P-C4' energy: -134.907 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: 8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -657.442012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.442012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.442012 (E_RNA) where: Base-Base interactions energy: -243.925 where: short stacking energy: -218.096 Base-Backbone interact. energy: 4.724 local terms energy: -418.240919 where: bonds (distance) C4'-P energy: -138.602 bonds (distance) P-C4' energy: -118.822 flat angles C4'-P-C4' energy: -119.985 flat angles P-C4'-P energy: -66.208 tors. eta vs tors. theta energy: 25.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1780.674268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.674268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.674268 (E_RNA) where: Base-Base interactions energy: -974.006 where: short stacking energy: -702.861 Base-Backbone interact. energy: 1.163 local terms energy: -807.831588 where: bonds (distance) C4'-P energy: -171.859 bonds (distance) P-C4' energy: -159.349 flat angles C4'-P-C4' energy: -176.384 flat angles P-C4'-P energy: -124.974 tors. eta vs tors. theta energy: -175.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1525.308249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.308249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.308249 (E_RNA) where: Base-Base interactions energy: -789.401 where: short stacking energy: -622.924 Base-Backbone interact. energy: -2.107 local terms energy: -733.800218 where: bonds (distance) C4'-P energy: -151.186 bonds (distance) P-C4' energy: -156.983 flat angles C4'-P-C4' energy: -167.817 flat angles P-C4'-P energy: -124.309 tors. eta vs tors. theta energy: -133.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1349.264017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.264017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.264017 (E_RNA) where: Base-Base interactions energy: -616.714 where: short stacking energy: -545.081 Base-Backbone interact. energy: -0.997 local terms energy: -731.553423 where: bonds (distance) C4'-P energy: -149.652 bonds (distance) P-C4' energy: -187.582 flat angles C4'-P-C4' energy: -158.012 flat angles P-C4'-P energy: -107.665 tors. eta vs tors. theta energy: -128.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1228.320705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.320705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.320705 (E_RNA) where: Base-Base interactions energy: -580.166 where: short stacking energy: -469.800 Base-Backbone interact. energy: 0.191 local terms energy: -648.345375 where: bonds (distance) C4'-P energy: -157.626 bonds (distance) P-C4' energy: -167.828 flat angles C4'-P-C4' energy: -145.333 flat angles P-C4'-P energy: -88.590 tors. eta vs tors. theta energy: -88.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1213.783961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.783961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.783961 (E_RNA) where: Base-Base interactions energy: -586.876 where: short stacking energy: -419.540 Base-Backbone interact. energy: -2.856 local terms energy: -624.051674 where: bonds (distance) C4'-P energy: -161.478 bonds (distance) P-C4' energy: -159.225 flat angles C4'-P-C4' energy: -158.188 flat angles P-C4'-P energy: -84.273 tors. eta vs tors. theta energy: -60.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1062.210645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.210645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.210645 (E_RNA) where: Base-Base interactions energy: -495.532 where: short stacking energy: -323.645 Base-Backbone interact. energy: -3.194 local terms energy: -563.484670 where: bonds (distance) C4'-P energy: -130.534 bonds (distance) P-C4' energy: -169.037 flat angles C4'-P-C4' energy: -155.654 flat angles P-C4'-P energy: -78.732 tors. eta vs tors. theta energy: -29.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -909.266220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.266220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.266220 (E_RNA) where: Base-Base interactions energy: -409.467 where: short stacking energy: -309.365 Base-Backbone interact. energy: 5.544 local terms energy: -505.343205 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -176.528 flat angles C4'-P-C4' energy: -99.730 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -13.826 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: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -963.381303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.381303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.381303 (E_RNA) where: Base-Base interactions energy: -435.511 where: short stacking energy: -303.410 Base-Backbone interact. energy: -1.671 local terms energy: -526.199692 where: bonds (distance) C4'-P energy: -147.298 bonds (distance) P-C4' energy: -171.344 flat angles C4'-P-C4' energy: -129.952 flat angles P-C4'-P energy: -61.436 tors. eta vs tors. theta energy: -16.170 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: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -746.980241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.980241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.980241 (E_RNA) where: Base-Base interactions energy: -282.948 where: short stacking energy: -245.585 Base-Backbone interact. energy: 1.299 local terms energy: -465.330818 where: bonds (distance) C4'-P energy: -114.694 bonds (distance) P-C4' energy: -161.375 flat angles C4'-P-C4' energy: -117.511 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -718.987248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.987248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.987248 (E_RNA) where: Base-Base interactions energy: -303.223 where: short stacking energy: -217.717 Base-Backbone interact. energy: 7.659 local terms energy: -423.422642 where: bonds (distance) C4'-P energy: -116.935 bonds (distance) P-C4' energy: -124.401 flat angles C4'-P-C4' energy: -116.071 flat angles P-C4'-P energy: -69.361 tors. eta vs tors. theta energy: 3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1866.964391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.964391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.964391 (E_RNA) where: Base-Base interactions energy: -1022.709 where: short stacking energy: -755.226 Base-Backbone interact. energy: -1.930 local terms energy: -842.325295 where: bonds (distance) C4'-P energy: -169.355 bonds (distance) P-C4' energy: -170.124 flat angles C4'-P-C4' energy: -191.158 flat angles P-C4'-P energy: -113.186 tors. eta vs tors. theta energy: -198.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1567.807451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.807451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.807451 (E_RNA) where: Base-Base interactions energy: -818.288 where: short stacking energy: -626.765 Base-Backbone interact. energy: -0.643 local terms energy: -748.876649 where: bonds (distance) C4'-P energy: -143.600 bonds (distance) P-C4' energy: -172.842 flat angles C4'-P-C4' energy: -164.373 flat angles P-C4'-P energy: -110.606 tors. eta vs tors. theta energy: -157.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1361.439912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.439912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.439912 (E_RNA) where: Base-Base interactions energy: -664.117 where: short stacking energy: -528.476 Base-Backbone interact. energy: -2.876 local terms energy: -694.446706 where: bonds (distance) C4'-P energy: -165.480 bonds (distance) P-C4' energy: -158.255 flat angles C4'-P-C4' energy: -161.299 flat angles P-C4'-P energy: -106.300 tors. eta vs tors. theta energy: -103.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1399.823259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.823259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.823259 (E_RNA) where: Base-Base interactions energy: -729.369 where: short stacking energy: -468.699 Base-Backbone interact. energy: -4.482 local terms energy: -665.972812 where: bonds (distance) C4'-P energy: -172.817 bonds (distance) P-C4' energy: -156.070 flat angles C4'-P-C4' energy: -158.885 flat angles P-C4'-P energy: -96.928 tors. eta vs tors. theta energy: -81.273 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: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1154.329437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.329437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.329437 (E_RNA) where: Base-Base interactions energy: -581.423 where: short stacking energy: -426.849 Base-Backbone interact. energy: 0.692 local terms energy: -573.599034 where: bonds (distance) C4'-P energy: -147.260 bonds (distance) P-C4' energy: -147.853 flat angles C4'-P-C4' energy: -146.166 flat angles P-C4'-P energy: -84.694 tors. eta vs tors. theta energy: -47.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1129.329335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.329335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.329335 (E_RNA) where: Base-Base interactions energy: -537.980 where: short stacking energy: -389.758 Base-Backbone interact. energy: 7.102 local terms energy: -598.451476 where: bonds (distance) C4'-P energy: -154.874 bonds (distance) P-C4' energy: -161.364 flat angles C4'-P-C4' energy: -135.174 flat angles P-C4'-P energy: -82.100 tors. eta vs tors. theta energy: -64.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1068.300188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.300188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.300188 (E_RNA) where: Base-Base interactions energy: -530.709 where: short stacking energy: -329.500 Base-Backbone interact. energy: -1.290 local terms energy: -536.300471 where: bonds (distance) C4'-P energy: -136.713 bonds (distance) P-C4' energy: -137.958 flat angles C4'-P-C4' energy: -143.789 flat angles P-C4'-P energy: -87.197 tors. eta vs tors. theta energy: -30.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1025.277740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.277740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.277740 (E_RNA) where: Base-Base interactions energy: -546.452 where: short stacking energy: -350.234 Base-Backbone interact. energy: 0.275 local terms energy: -479.100670 where: bonds (distance) C4'-P energy: -125.556 bonds (distance) P-C4' energy: -134.112 flat angles C4'-P-C4' energy: -124.353 flat angles P-C4'-P energy: -78.717 tors. eta vs tors. theta energy: -16.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -803.626798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.626798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.626798 (E_RNA) where: Base-Base interactions energy: -351.977 where: short stacking energy: -260.748 Base-Backbone interact. energy: -0.838 local terms energy: -450.811653 where: bonds (distance) C4'-P energy: -129.499 bonds (distance) P-C4' energy: -140.648 flat angles C4'-P-C4' energy: -116.183 flat angles P-C4'-P energy: -56.510 tors. eta vs tors. theta energy: -7.972 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: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -762.029091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.029091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.029091 (E_RNA) where: Base-Base interactions energy: -318.240 where: short stacking energy: -245.746 Base-Backbone interact. energy: -1.006 local terms energy: -442.782515 where: bonds (distance) C4'-P energy: -112.475 bonds (distance) P-C4' energy: -140.706 flat angles C4'-P-C4' energy: -126.089 flat angles P-C4'-P energy: -70.231 tors. eta vs tors. theta energy: 6.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1882.250109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.250109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.250109 (E_RNA) where: Base-Base interactions energy: -1025.426 where: short stacking energy: -722.728 Base-Backbone interact. energy: -0.156 local terms energy: -856.668053 where: bonds (distance) C4'-P energy: -173.663 bonds (distance) P-C4' energy: -177.029 flat angles C4'-P-C4' energy: -184.539 flat angles P-C4'-P energy: -120.008 tors. eta vs tors. theta energy: -201.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1614.790387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.790387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.790387 (E_RNA) where: Base-Base interactions energy: -879.901 where: short stacking energy: -624.461 Base-Backbone interact. energy: 2.502 local terms energy: -737.391779 where: bonds (distance) C4'-P energy: -159.655 bonds (distance) P-C4' energy: -166.323 flat angles C4'-P-C4' energy: -162.377 flat angles P-C4'-P energy: -97.875 tors. eta vs tors. theta energy: -151.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1616.079103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.079103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.079103 (E_RNA) where: Base-Base interactions energy: -875.205 where: short stacking energy: -553.361 Base-Backbone interact. energy: -1.299 local terms energy: -739.575187 where: bonds (distance) C4'-P energy: -156.817 bonds (distance) P-C4' energy: -176.296 flat angles C4'-P-C4' energy: -165.132 flat angles P-C4'-P energy: -119.061 tors. eta vs tors. theta energy: -122.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1365.747037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.747037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.747037 (E_RNA) where: Base-Base interactions energy: -706.943 where: short stacking energy: -493.721 Base-Backbone interact. energy: 1.474 local terms energy: -660.278141 where: bonds (distance) C4'-P energy: -150.204 bonds (distance) P-C4' energy: -164.414 flat angles C4'-P-C4' energy: -147.588 flat angles P-C4'-P energy: -106.017 tors. eta vs tors. theta energy: -92.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1261.367226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.367226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.367226 (E_RNA) where: Base-Base interactions energy: -651.794 where: short stacking energy: -453.068 Base-Backbone interact. energy: -0.014 local terms energy: -609.558422 where: bonds (distance) C4'-P energy: -140.305 bonds (distance) P-C4' energy: -158.173 flat angles C4'-P-C4' energy: -148.621 flat angles P-C4'-P energy: -87.238 tors. eta vs tors. theta energy: -75.221 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: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1106.130232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.130232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.130232 (E_RNA) where: Base-Base interactions energy: -518.935 where: short stacking energy: -364.014 Base-Backbone interact. energy: 0.916 local terms energy: -588.111738 where: bonds (distance) C4'-P energy: -150.063 bonds (distance) P-C4' energy: -166.111 flat angles C4'-P-C4' energy: -139.469 flat angles P-C4'-P energy: -90.897 tors. eta vs tors. theta energy: -41.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1158.237992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.237992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.237992 (E_RNA) where: Base-Base interactions energy: -655.833 where: short stacking energy: -386.197 Base-Backbone interact. energy: -0.250 local terms energy: -502.155089 where: bonds (distance) C4'-P energy: -115.237 bonds (distance) P-C4' energy: -137.923 flat angles C4'-P-C4' energy: -119.465 flat angles P-C4'-P energy: -85.967 tors. eta vs tors. theta energy: -43.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1037.899743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.899743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.899743 (E_RNA) where: Base-Base interactions energy: -546.975 where: short stacking energy: -325.719 Base-Backbone interact. energy: 0.336 local terms energy: -491.260975 where: bonds (distance) C4'-P energy: -133.578 bonds (distance) P-C4' energy: -143.869 flat angles C4'-P-C4' energy: -109.620 flat angles P-C4'-P energy: -69.397 tors. eta vs tors. theta energy: -34.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -819.882570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.882570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.882570 (E_RNA) where: Base-Base interactions energy: -351.268 where: short stacking energy: -241.735 Base-Backbone interact. energy: 3.770 local terms energy: -472.383924 where: bonds (distance) C4'-P energy: -140.155 bonds (distance) P-C4' energy: -126.942 flat angles C4'-P-C4' energy: -142.351 flat angles P-C4'-P energy: -65.861 tors. eta vs tors. theta energy: 2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -760.356841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.356841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.356841 (E_RNA) where: Base-Base interactions energy: -325.788 where: short stacking energy: -239.793 Base-Backbone interact. energy: -1.174 local terms energy: -433.394514 where: bonds (distance) C4'-P energy: -114.574 bonds (distance) P-C4' energy: -141.692 flat angles C4'-P-C4' energy: -124.869 flat angles P-C4'-P energy: -59.207 tors. eta vs tors. theta energy: 6.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1883.036661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.036661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.036661 (E_RNA) where: Base-Base interactions energy: -1057.341 where: short stacking energy: -758.657 Base-Backbone interact. energy: -1.751 local terms energy: -823.944373 where: bonds (distance) C4'-P energy: -160.109 bonds (distance) P-C4' energy: -182.090 flat angles C4'-P-C4' energy: -165.004 flat angles P-C4'-P energy: -109.610 tors. eta vs tors. theta energy: -207.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1835.388927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.388927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.388927 (E_RNA) where: Base-Base interactions energy: -1100.885 where: short stacking energy: -602.901 Base-Backbone interact. energy: 2.162 local terms energy: -736.665200 where: bonds (distance) C4'-P energy: -162.993 bonds (distance) P-C4' energy: -164.728 flat angles C4'-P-C4' energy: -158.971 flat angles P-C4'-P energy: -100.452 tors. eta vs tors. theta energy: -149.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1562.451671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.451671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.451671 (E_RNA) where: Base-Base interactions energy: -847.448 where: short stacking energy: -618.438 Base-Backbone interact. energy: -0.883 local terms energy: -714.120337 where: bonds (distance) C4'-P energy: -154.714 bonds (distance) P-C4' energy: -168.274 flat angles C4'-P-C4' energy: -169.681 flat angles P-C4'-P energy: -95.558 tors. eta vs tors. theta energy: -125.893 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: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1466.798261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.798261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.798261 (E_RNA) where: Base-Base interactions energy: -777.973 where: short stacking energy: -545.222 Base-Backbone interact. energy: -1.246 local terms energy: -687.578353 where: bonds (distance) C4'-P energy: -143.950 bonds (distance) P-C4' energy: -174.533 flat angles C4'-P-C4' energy: -174.784 flat angles P-C4'-P energy: -80.153 tors. eta vs tors. theta energy: -114.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1360.074419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.074419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.074419 (E_RNA) where: Base-Base interactions energy: -707.455 where: short stacking energy: -482.056 Base-Backbone interact. energy: -0.155 local terms energy: -652.463731 where: bonds (distance) C4'-P energy: -142.891 bonds (distance) P-C4' energy: -148.525 flat angles C4'-P-C4' energy: -162.073 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: -98.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1238.541292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.541292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.541292 (E_RNA) where: Base-Base interactions energy: -626.887 where: short stacking energy: -406.616 Base-Backbone interact. energy: -3.949 local terms energy: -607.704706 where: bonds (distance) C4'-P energy: -146.976 bonds (distance) P-C4' energy: -165.418 flat angles C4'-P-C4' energy: -148.937 flat angles P-C4'-P energy: -80.624 tors. eta vs tors. theta energy: -65.750 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: 11 Temperature: 1.200000 Total energy: -1043.521848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.521848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.521848 (E_RNA) where: Base-Base interactions energy: -473.292 where: short stacking energy: -364.425 Base-Backbone interact. energy: 0.330 local terms energy: -570.560427 where: bonds (distance) C4'-P energy: -147.546 bonds (distance) P-C4' energy: -134.271 flat angles C4'-P-C4' energy: -138.285 flat angles P-C4'-P energy: -87.588 tors. eta vs tors. theta energy: -62.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1046.262669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.262669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.262669 (E_RNA) where: Base-Base interactions energy: -551.083 where: short stacking energy: -315.573 Base-Backbone interact. energy: 5.699 local terms energy: -500.878470 where: bonds (distance) C4'-P energy: -148.884 bonds (distance) P-C4' energy: -150.416 flat angles C4'-P-C4' energy: -110.501 flat angles P-C4'-P energy: -87.566 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -862.003231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.003231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.003231 (E_RNA) where: Base-Base interactions energy: -396.843 where: short stacking energy: -283.610 Base-Backbone interact. energy: 2.151 local terms energy: -467.312063 where: bonds (distance) C4'-P energy: -134.247 bonds (distance) P-C4' energy: -133.852 flat angles C4'-P-C4' energy: -112.524 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -27.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -786.595810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.595810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.595810 (E_RNA) where: Base-Base interactions energy: -343.770 where: short stacking energy: -265.563 Base-Backbone interact. energy: 1.990 local terms energy: -444.815738 where: bonds (distance) C4'-P energy: -127.845 bonds (distance) P-C4' energy: -123.681 flat angles C4'-P-C4' energy: -115.217 flat angles P-C4'-P energy: -54.999 tors. eta vs tors. theta energy: -23.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1927.968051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.968051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.968051 (E_RNA) where: Base-Base interactions energy: -1120.000 where: short stacking energy: -759.687 Base-Backbone interact. energy: -1.953 local terms energy: -806.015081 where: bonds (distance) C4'-P energy: -152.143 bonds (distance) P-C4' energy: -168.309 flat angles C4'-P-C4' energy: -183.202 flat angles P-C4'-P energy: -111.524 tors. eta vs tors. theta energy: -190.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1889.824729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.824729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.824729 (E_RNA) where: Base-Base interactions energy: -1109.052 where: short stacking energy: -613.783 Base-Backbone interact. energy: -5.148 local terms energy: -775.624505 where: bonds (distance) C4'-P energy: -167.072 bonds (distance) P-C4' energy: -162.005 flat angles C4'-P-C4' energy: -183.685 flat angles P-C4'-P energy: -110.161 tors. eta vs tors. theta energy: -152.701 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: 12 Temperature: 1.000000 Total energy: -1534.548220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.548220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.548220 (E_RNA) where: Base-Base interactions energy: -859.533 where: short stacking energy: -523.412 Base-Backbone interact. energy: -0.845 local terms energy: -674.170325 where: bonds (distance) C4'-P energy: -163.133 bonds (distance) P-C4' energy: -172.513 flat angles C4'-P-C4' energy: -169.780 flat angles P-C4'-P energy: -77.792 tors. eta vs tors. theta energy: -90.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1387.045881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.045881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.045881 (E_RNA) where: Base-Base interactions energy: -725.587 where: short stacking energy: -458.487 Base-Backbone interact. energy: -0.301 local terms energy: -661.157291 where: bonds (distance) C4'-P energy: -148.243 bonds (distance) P-C4' energy: -161.809 flat angles C4'-P-C4' energy: -149.476 flat angles P-C4'-P energy: -97.468 tors. eta vs tors. theta energy: -104.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1335.522309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.522309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.522309 (E_RNA) where: Base-Base interactions energy: -720.898 where: short stacking energy: -477.563 Base-Backbone interact. energy: -2.376 local terms energy: -612.248247 where: bonds (distance) C4'-P energy: -138.937 bonds (distance) P-C4' energy: -144.319 flat angles C4'-P-C4' energy: -143.158 flat angles P-C4'-P energy: -109.622 tors. eta vs tors. theta energy: -76.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1179.754673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.754673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.754673 (E_RNA) where: Base-Base interactions energy: -582.733 where: short stacking energy: -375.334 Base-Backbone interact. energy: -3.298 local terms energy: -593.723038 where: bonds (distance) C4'-P energy: -147.094 bonds (distance) P-C4' energy: -169.909 flat angles C4'-P-C4' energy: -143.089 flat angles P-C4'-P energy: -96.134 tors. eta vs tors. theta energy: -37.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1272.775476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.775476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.775476 (E_RNA) where: Base-Base interactions energy: -701.801 where: short stacking energy: -417.976 Base-Backbone interact. energy: 4.271 local terms energy: -575.244847 where: bonds (distance) C4'-P energy: -133.699 bonds (distance) P-C4' energy: -147.307 flat angles C4'-P-C4' energy: -138.614 flat angles P-C4'-P energy: -87.693 tors. eta vs tors. theta energy: -67.932 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: 1 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -891.623261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.623261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.623261 (E_RNA) where: Base-Base interactions energy: -428.948 where: short stacking energy: -285.532 Base-Backbone interact. energy: -2.270 local terms energy: -460.405444 where: bonds (distance) C4'-P energy: -138.470 bonds (distance) P-C4' energy: -147.369 flat angles C4'-P-C4' energy: -124.791 flat angles P-C4'-P energy: -64.250 tors. eta vs tors. theta energy: 14.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -877.765422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.765422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.765422 (E_RNA) where: Base-Base interactions energy: -436.273 where: short stacking energy: -266.036 Base-Backbone interact. energy: -0.880 local terms energy: -440.612499 where: bonds (distance) C4'-P energy: -124.091 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -109.500 flat angles P-C4'-P energy: -56.253 tors. eta vs tors. theta energy: -9.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -737.011448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.011448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.011448 (E_RNA) where: Base-Base interactions energy: -311.720 where: short stacking energy: -205.390 Base-Backbone interact. energy: -1.115 local terms energy: -424.176807 where: bonds (distance) C4'-P energy: -138.292 bonds (distance) P-C4' energy: -142.779 flat angles C4'-P-C4' energy: -106.934 flat angles P-C4'-P energy: -54.378 tors. eta vs tors. theta energy: 18.206 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: 13 Temperature: 0.900000 Total energy: -1894.241013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.241013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.241013 (E_RNA) where: Base-Base interactions energy: -1054.944 where: short stacking energy: -660.075 Base-Backbone interact. energy: -3.244 local terms energy: -836.053171 where: bonds (distance) C4'-P energy: -172.540 bonds (distance) P-C4' energy: -185.824 flat angles C4'-P-C4' energy: -177.920 flat angles P-C4'-P energy: -131.566 tors. eta vs tors. theta energy: -168.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1975.537248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.537248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.537248 (E_RNA) where: Base-Base interactions energy: -1197.730 where: short stacking energy: -661.124 Base-Backbone interact. energy: -2.420 local terms energy: -775.387317 where: bonds (distance) C4'-P energy: -163.294 bonds (distance) P-C4' energy: -175.886 flat angles C4'-P-C4' energy: -168.984 flat angles P-C4'-P energy: -113.458 tors. eta vs tors. theta energy: -153.766 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: 13 Temperature: 1.000000 Total energy: -1574.227339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.227339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.227339 (E_RNA) where: Base-Base interactions energy: -876.570 where: short stacking energy: -543.427 Base-Backbone interact. energy: -1.013 local terms energy: -696.644905 where: bonds (distance) C4'-P energy: -160.791 bonds (distance) P-C4' energy: -155.123 flat angles C4'-P-C4' energy: -161.167 flat angles P-C4'-P energy: -115.536 tors. eta vs tors. theta energy: -104.029 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: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1440.332640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.332640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.332640 (E_RNA) where: Base-Base interactions energy: -805.668 where: short stacking energy: -493.554 Base-Backbone interact. energy: -2.274 local terms energy: -632.390578 where: bonds (distance) C4'-P energy: -147.332 bonds (distance) P-C4' energy: -159.230 flat angles C4'-P-C4' energy: -165.825 flat angles P-C4'-P energy: -91.480 tors. eta vs tors. theta energy: -68.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1291.432361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.432361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.432361 (E_RNA) where: Base-Base interactions energy: -677.446 where: short stacking energy: -468.152 Base-Backbone interact. energy: -3.173 local terms energy: -610.813134 where: bonds (distance) C4'-P energy: -143.374 bonds (distance) P-C4' energy: -162.576 flat angles C4'-P-C4' energy: -159.665 flat angles P-C4'-P energy: -64.914 tors. eta vs tors. theta energy: -80.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1373.491077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.491077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.491077 (E_RNA) where: Base-Base interactions energy: -780.523 where: short stacking energy: -418.507 Base-Backbone interact. energy: -4.033 local terms energy: -588.934552 where: bonds (distance) C4'-P energy: -156.945 bonds (distance) P-C4' energy: -152.539 flat angles C4'-P-C4' energy: -131.282 flat angles P-C4'-P energy: -91.549 tors. eta vs tors. theta energy: -56.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1053.047913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.047913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.047913 (E_RNA) where: Base-Base interactions energy: -531.197 where: short stacking energy: -338.703 Base-Backbone interact. energy: -0.825 local terms energy: -521.026116 where: bonds (distance) C4'-P energy: -141.399 bonds (distance) P-C4' energy: -128.609 flat angles C4'-P-C4' energy: -128.488 flat angles P-C4'-P energy: -83.185 tors. eta vs tors. theta energy: -39.345 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: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1047.810248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.810248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.810248 (E_RNA) where: Base-Base interactions energy: -534.595 where: short stacking energy: -310.279 Base-Backbone interact. energy: 0.922 local terms energy: -514.137283 where: bonds (distance) C4'-P energy: -124.087 bonds (distance) P-C4' energy: -152.334 flat angles C4'-P-C4' energy: -137.335 flat angles P-C4'-P energy: -77.447 tors. eta vs tors. theta energy: -22.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -772.853997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.853997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.853997 (E_RNA) where: Base-Base interactions energy: -317.120 where: short stacking energy: -248.000 Base-Backbone interact. energy: -0.031 local terms energy: -455.702923 where: bonds (distance) C4'-P energy: -121.095 bonds (distance) P-C4' energy: -148.631 flat angles C4'-P-C4' energy: -134.373 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: 18.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -839.028613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.028613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.028613 (E_RNA) where: Base-Base interactions energy: -404.621 where: short stacking energy: -307.905 Base-Backbone interact. energy: -1.688 local terms energy: -432.719012 where: bonds (distance) C4'-P energy: -94.694 bonds (distance) P-C4' energy: -145.666 flat angles C4'-P-C4' energy: -105.444 flat angles P-C4'-P energy: -71.395 tors. eta vs tors. theta energy: -15.520 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: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2110.420865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.420865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.420865 (E_RNA) where: Base-Base interactions energy: -1335.357 where: short stacking energy: -721.755 Base-Backbone interact. energy: -4.667 local terms energy: -770.396587 where: bonds (distance) C4'-P energy: -161.832 bonds (distance) P-C4' energy: -166.470 flat angles C4'-P-C4' energy: -166.169 flat angles P-C4'-P energy: -106.824 tors. eta vs tors. theta energy: -169.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1822.888681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.888681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.888681 (E_RNA) where: Base-Base interactions energy: -1062.580 where: short stacking energy: -599.364 Base-Backbone interact. energy: -3.528 local terms energy: -756.780579 where: bonds (distance) C4'-P energy: -157.943 bonds (distance) P-C4' energy: -171.633 flat angles C4'-P-C4' energy: -180.584 flat angles P-C4'-P energy: -113.138 tors. eta vs tors. theta energy: -133.482 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: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1645.155390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.155390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.155390 (E_RNA) where: Base-Base interactions energy: -935.686 where: short stacking energy: -591.831 Base-Backbone interact. energy: -3.115 local terms energy: -706.355182 where: bonds (distance) C4'-P energy: -170.519 bonds (distance) P-C4' energy: -151.607 flat angles C4'-P-C4' energy: -149.770 flat angles P-C4'-P energy: -97.087 tors. eta vs tors. theta energy: -137.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1574.265757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.265757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.265757 (E_RNA) where: Base-Base interactions energy: -887.243 where: short stacking energy: -551.176 Base-Backbone interact. energy: -3.637 local terms energy: -683.385188 where: bonds (distance) C4'-P energy: -137.527 bonds (distance) P-C4' energy: -165.513 flat angles C4'-P-C4' energy: -162.151 flat angles P-C4'-P energy: -105.360 tors. eta vs tors. theta energy: -112.834 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: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1451.456157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.456157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.456157 (E_RNA) where: Base-Base interactions energy: -796.293 where: short stacking energy: -439.685 Base-Backbone interact. energy: -3.594 local terms energy: -651.569589 where: bonds (distance) C4'-P energy: -146.225 bonds (distance) P-C4' energy: -163.627 flat angles C4'-P-C4' energy: -166.635 flat angles P-C4'-P energy: -98.431 tors. eta vs tors. theta energy: -76.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1116.110988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.110988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.110988 (E_RNA) where: Base-Base interactions energy: -518.145 where: short stacking energy: -371.999 Base-Backbone interact. energy: -3.234 local terms energy: -594.732135 where: bonds (distance) C4'-P energy: -162.993 bonds (distance) P-C4' energy: -138.156 flat angles C4'-P-C4' energy: -141.348 flat angles P-C4'-P energy: -95.451 tors. eta vs tors. theta energy: -56.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1145.562090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.562090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.562090 (E_RNA) where: Base-Base interactions energy: -616.268 where: short stacking energy: -370.421 Base-Backbone interact. energy: -0.660 local terms energy: -528.634161 where: bonds (distance) C4'-P energy: -135.719 bonds (distance) P-C4' energy: -149.976 flat angles C4'-P-C4' energy: -122.401 flat angles P-C4'-P energy: -87.718 tors. eta vs tors. theta energy: -32.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1186.902174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.902174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.902174 (E_RNA) where: Base-Base interactions energy: -669.464 where: short stacking energy: -360.354 Base-Backbone interact. energy: 0.553 local terms energy: -517.991888 where: bonds (distance) C4'-P energy: -139.373 bonds (distance) P-C4' energy: -166.780 flat angles C4'-P-C4' energy: -127.224 flat angles P-C4'-P energy: -66.820 tors. eta vs tors. theta energy: -17.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -816.829762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.829762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.829762 (E_RNA) where: Base-Base interactions energy: -350.317 where: short stacking energy: -248.215 Base-Backbone interact. energy: 0.318 local terms energy: -466.830878 where: bonds (distance) C4'-P energy: -141.323 bonds (distance) P-C4' energy: -128.700 flat angles C4'-P-C4' energy: -121.933 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -855.622532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.622532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.622532 (E_RNA) where: Base-Base interactions energy: -376.187 where: short stacking energy: -245.595 Base-Backbone interact. energy: 1.318 local terms energy: -480.753781 where: bonds (distance) C4'-P energy: -121.146 bonds (distance) P-C4' energy: -139.338 flat angles C4'-P-C4' energy: -139.780 flat angles P-C4'-P energy: -74.559 tors. eta vs tors. theta energy: -5.930 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: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2161.566823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.566823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.566823 (E_RNA) where: Base-Base interactions energy: -1371.060 where: short stacking energy: -718.776 Base-Backbone interact. energy: -0.867 local terms energy: -789.639805 where: bonds (distance) C4'-P energy: -162.768 bonds (distance) P-C4' energy: -164.386 flat angles C4'-P-C4' energy: -171.438 flat angles P-C4'-P energy: -111.993 tors. eta vs tors. theta energy: -179.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1847.809052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.809052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.809052 (E_RNA) where: Base-Base interactions energy: -1093.182 where: short stacking energy: -662.475 Base-Backbone interact. energy: 0.505 local terms energy: -755.132189 where: bonds (distance) C4'-P energy: -173.924 bonds (distance) P-C4' energy: -171.843 flat angles C4'-P-C4' energy: -170.458 flat angles P-C4'-P energy: -93.407 tors. eta vs tors. theta energy: -145.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1705.282308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.282308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.282308 (E_RNA) where: Base-Base interactions energy: -975.117 where: short stacking energy: -619.026 Base-Backbone interact. energy: -4.130 local terms energy: -726.035824 where: bonds (distance) C4'-P energy: -151.198 bonds (distance) P-C4' energy: -169.427 flat angles C4'-P-C4' energy: -161.544 flat angles P-C4'-P energy: -105.650 tors. eta vs tors. theta energy: -138.216 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: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1592.044817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.044817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.044817 (E_RNA) where: Base-Base interactions energy: -899.079 where: short stacking energy: -539.253 Base-Backbone interact. energy: -1.242 local terms energy: -691.724088 where: bonds (distance) C4'-P energy: -137.734 bonds (distance) P-C4' energy: -167.899 flat angles C4'-P-C4' energy: -160.285 flat angles P-C4'-P energy: -108.124 tors. eta vs tors. theta energy: -117.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1610.962555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.962555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.962555 (E_RNA) where: Base-Base interactions energy: -947.422 where: short stacking energy: -475.401 Base-Backbone interact. energy: -1.467 local terms energy: -662.073848 where: bonds (distance) C4'-P energy: -154.888 bonds (distance) P-C4' energy: -149.844 flat angles C4'-P-C4' energy: -151.896 flat angles P-C4'-P energy: -100.860 tors. eta vs tors. theta energy: -104.586 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: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1223.449196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.449196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.449196 (E_RNA) where: Base-Base interactions energy: -626.036 where: short stacking energy: -362.265 Base-Backbone interact. energy: 1.753 local terms energy: -599.166225 where: bonds (distance) C4'-P energy: -147.729 bonds (distance) P-C4' energy: -155.379 flat angles C4'-P-C4' energy: -164.426 flat angles P-C4'-P energy: -74.125 tors. eta vs tors. theta energy: -57.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1106.946639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.946639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.946639 (E_RNA) where: Base-Base interactions energy: -549.954 where: short stacking energy: -357.859 Base-Backbone interact. energy: 0.342 local terms energy: -557.335012 where: bonds (distance) C4'-P energy: -135.505 bonds (distance) P-C4' energy: -173.163 flat angles C4'-P-C4' energy: -130.404 flat angles P-C4'-P energy: -70.154 tors. eta vs tors. theta energy: -48.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1170.838127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.838127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.838127 (E_RNA) where: Base-Base interactions energy: -632.216 where: short stacking energy: -338.184 Base-Backbone interact. energy: 3.255 local terms energy: -541.877112 where: bonds (distance) C4'-P energy: -157.991 bonds (distance) P-C4' energy: -131.736 flat angles C4'-P-C4' energy: -141.328 flat angles P-C4'-P energy: -78.934 tors. eta vs tors. theta energy: -31.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -787.443960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.443960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.443960 (E_RNA) where: Base-Base interactions energy: -324.860 where: short stacking energy: -269.494 Base-Backbone interact. energy: -1.604 local terms energy: -460.979700 where: bonds (distance) C4'-P energy: -128.767 bonds (distance) P-C4' energy: -149.808 flat angles C4'-P-C4' energy: -104.442 flat angles P-C4'-P energy: -75.372 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -853.342893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.342893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.342893 (E_RNA) where: Base-Base interactions energy: -403.530 where: short stacking energy: -248.661 Base-Backbone interact. energy: 3.769 local terms energy: -453.581091 where: bonds (distance) C4'-P energy: -134.427 bonds (distance) P-C4' energy: -146.148 flat angles C4'-P-C4' energy: -120.201 flat angles P-C4'-P energy: -59.979 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: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2179.941224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.941224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.941224 (E_RNA) where: Base-Base interactions energy: -1375.342 where: short stacking energy: -706.786 Base-Backbone interact. energy: -5.006 local terms energy: -799.592700 where: bonds (distance) C4'-P energy: -173.893 bonds (distance) P-C4' energy: -170.783 flat angles C4'-P-C4' energy: -180.599 flat angles P-C4'-P energy: -102.222 tors. eta vs tors. theta energy: -172.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1808.241424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.241424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.241424 (E_RNA) where: Base-Base interactions energy: -1072.684 where: short stacking energy: -591.298 Base-Backbone interact. energy: 0.125 local terms energy: -735.682649 where: bonds (distance) C4'-P energy: -149.605 bonds (distance) P-C4' energy: -165.986 flat angles C4'-P-C4' energy: -183.452 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -135.297 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: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1714.630056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.630056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.630056 (E_RNA) where: Base-Base interactions energy: -999.835 where: short stacking energy: -612.725 Base-Backbone interact. energy: -1.216 local terms energy: -713.579513 where: bonds (distance) C4'-P energy: -173.764 bonds (distance) P-C4' energy: -147.419 flat angles C4'-P-C4' energy: -159.458 flat angles P-C4'-P energy: -97.604 tors. eta vs tors. theta energy: -135.334 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: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1593.901793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.901793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.901793 (E_RNA) where: Base-Base interactions energy: -898.141 where: short stacking energy: -572.733 Base-Backbone interact. energy: 2.673 local terms energy: -698.434326 where: bonds (distance) C4'-P energy: -156.097 bonds (distance) P-C4' energy: -156.316 flat angles C4'-P-C4' energy: -168.111 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -117.360 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: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1715.662544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.662544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.662544 (E_RNA) where: Base-Base interactions energy: -1074.213 where: short stacking energy: -532.701 Base-Backbone interact. energy: -3.694 local terms energy: -637.756289 where: bonds (distance) C4'-P energy: -134.978 bonds (distance) P-C4' energy: -136.457 flat angles C4'-P-C4' energy: -162.703 flat angles P-C4'-P energy: -95.944 tors. eta vs tors. theta energy: -107.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1252.960459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.960459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.960459 (E_RNA) where: Base-Base interactions energy: -666.561 where: short stacking energy: -378.723 Base-Backbone interact. energy: -3.441 local terms energy: -582.958240 where: bonds (distance) C4'-P energy: -138.385 bonds (distance) P-C4' energy: -163.897 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -87.146 tors. eta vs tors. theta energy: -43.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1246.867314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.867314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.867314 (E_RNA) where: Base-Base interactions energy: -700.826 where: short stacking energy: -391.577 Base-Backbone interact. energy: 2.485 local terms energy: -548.526520 where: bonds (distance) C4'-P energy: -125.673 bonds (distance) P-C4' energy: -161.701 flat angles C4'-P-C4' energy: -130.502 flat angles P-C4'-P energy: -80.135 tors. eta vs tors. theta energy: -50.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1103.861880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.861880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.861880 (E_RNA) where: Base-Base interactions energy: -582.147 where: short stacking energy: -348.675 Base-Backbone interact. energy: 3.978 local terms energy: -525.693012 where: bonds (distance) C4'-P energy: -142.783 bonds (distance) P-C4' energy: -148.987 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -67.632 tors. eta vs tors. theta energy: -39.260 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: 16 Temperature: 1.300000 Total energy: -939.506113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.506113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.506113 (E_RNA) where: Base-Base interactions energy: -441.499 where: short stacking energy: -269.400 Base-Backbone interact. energy: -1.698 local terms energy: -496.308317 where: bonds (distance) C4'-P energy: -134.585 bonds (distance) P-C4' energy: -158.580 flat angles C4'-P-C4' energy: -124.092 flat angles P-C4'-P energy: -85.321 tors. eta vs tors. theta energy: 6.270 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: 10, replica: 1 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -736.745875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.745875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.745875 (E_RNA) where: Base-Base interactions energy: -307.769 where: short stacking energy: -255.317 Base-Backbone interact. energy: -2.049 local terms energy: -426.928456 where: bonds (distance) C4'-P energy: -125.504 bonds (distance) P-C4' energy: -131.109 flat angles C4'-P-C4' energy: -115.254 flat angles P-C4'-P energy: -57.147 tors. eta vs tors. theta energy: 2.086 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: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2221.355897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.355897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.355897 (E_RNA) where: Base-Base interactions energy: -1415.586 where: short stacking energy: -715.743 Base-Backbone interact. energy: 1.732 local terms energy: -807.502203 where: bonds (distance) C4'-P energy: -165.752 bonds (distance) P-C4' energy: -179.587 flat angles C4'-P-C4' energy: -176.300 flat angles P-C4'-P energy: -116.250 tors. eta vs tors. theta energy: -169.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1848.361060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.361060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.361060 (E_RNA) where: Base-Base interactions energy: -1107.232 where: short stacking energy: -643.258 Base-Backbone interact. energy: -3.475 local terms energy: -737.654555 where: bonds (distance) C4'-P energy: -173.197 bonds (distance) P-C4' energy: -149.656 flat angles C4'-P-C4' energy: -178.008 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -153.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1718.630075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.630075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.630075 (E_RNA) where: Base-Base interactions energy: -975.517 where: short stacking energy: -605.001 Base-Backbone interact. energy: -2.170 local terms energy: -740.943597 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -170.634 flat angles C4'-P-C4' energy: -177.412 flat angles P-C4'-P energy: -103.203 tors. eta vs tors. theta energy: -137.921 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: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1876.195539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.195539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.195539 (E_RNA) where: Base-Base interactions energy: -1152.632 where: short stacking energy: -537.453 Base-Backbone interact. energy: -4.454 local terms energy: -719.110106 where: bonds (distance) C4'-P energy: -160.714 bonds (distance) P-C4' energy: -157.204 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -118.394 tors. eta vs tors. theta energy: -127.531 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: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1469.241596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.241596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.241596 (E_RNA) where: Base-Base interactions energy: -813.406 where: short stacking energy: -479.177 Base-Backbone interact. energy: -2.586 local terms energy: -653.249014 where: bonds (distance) C4'-P energy: -150.349 bonds (distance) P-C4' energy: -160.427 flat angles C4'-P-C4' energy: -162.392 flat angles P-C4'-P energy: -96.142 tors. eta vs tors. theta energy: -83.940 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: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1354.568698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.568698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.568698 (E_RNA) where: Base-Base interactions energy: -761.847 where: short stacking energy: -413.762 Base-Backbone interact. energy: 0.710 local terms energy: -593.431325 where: bonds (distance) C4'-P energy: -152.625 bonds (distance) P-C4' energy: -148.942 flat angles C4'-P-C4' energy: -135.706 flat angles P-C4'-P energy: -99.442 tors. eta vs tors. theta energy: -56.716 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: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1301.875419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.875419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.875419 (E_RNA) where: Base-Base interactions energy: -735.177 where: short stacking energy: -412.924 Base-Backbone interact. energy: 1.618 local terms energy: -568.316082 where: bonds (distance) C4'-P energy: -133.402 bonds (distance) P-C4' energy: -145.666 flat angles C4'-P-C4' energy: -147.226 flat angles P-C4'-P energy: -71.666 tors. eta vs tors. theta energy: -70.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1056.586047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.586047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.586047 (E_RNA) where: Base-Base interactions energy: -530.841 where: short stacking energy: -293.781 Base-Backbone interact. energy: -2.131 local terms energy: -523.614194 where: bonds (distance) C4'-P energy: -145.356 bonds (distance) P-C4' energy: -156.381 flat angles C4'-P-C4' energy: -118.031 flat angles P-C4'-P energy: -80.948 tors. eta vs tors. theta energy: -22.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -989.708104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.708104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.708104 (E_RNA) where: Base-Base interactions energy: -484.097 where: short stacking energy: -283.389 Base-Backbone interact. energy: 0.252 local terms energy: -505.863112 where: bonds (distance) C4'-P energy: -130.265 bonds (distance) P-C4' energy: -146.426 flat angles C4'-P-C4' energy: -135.296 flat angles P-C4'-P energy: -77.297 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -719.859310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.859310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.859310 (E_RNA) where: Base-Base interactions energy: -290.234 where: short stacking energy: -210.253 Base-Backbone interact. energy: 2.086 local terms energy: -431.711311 where: bonds (distance) C4'-P energy: -131.258 bonds (distance) P-C4' energy: -139.225 flat angles C4'-P-C4' energy: -121.893 flat angles P-C4'-P energy: -59.672 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: 1, replica: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2219.208417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.208417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.208417 (E_RNA) where: Base-Base interactions energy: -1400.049 where: short stacking energy: -696.317 Base-Backbone interact. energy: -3.096 local terms energy: -816.062718 where: bonds (distance) C4'-P energy: -170.082 bonds (distance) P-C4' energy: -173.526 flat angles C4'-P-C4' energy: -182.555 flat angles P-C4'-P energy: -114.242 tors. eta vs tors. theta energy: -175.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1922.444477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.444477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.444477 (E_RNA) where: Base-Base interactions energy: -1124.337 where: short stacking energy: -678.359 Base-Backbone interact. energy: 2.465 local terms energy: -800.573254 where: bonds (distance) C4'-P energy: -169.667 bonds (distance) P-C4' energy: -179.687 flat angles C4'-P-C4' energy: -167.657 flat angles P-C4'-P energy: -115.012 tors. eta vs tors. theta energy: -168.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1979.922695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.922695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.922695 (E_RNA) where: Base-Base interactions energy: -1232.513 where: short stacking energy: -643.516 Base-Backbone interact. energy: -2.005 local terms energy: -745.404302 where: bonds (distance) C4'-P energy: -154.133 bonds (distance) P-C4' energy: -160.972 flat angles C4'-P-C4' energy: -173.259 flat angles P-C4'-P energy: -110.499 tors. eta vs tors. theta energy: -146.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1638.946548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.946548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.946548 (E_RNA) where: Base-Base interactions energy: -954.880 where: short stacking energy: -577.294 Base-Backbone interact. energy: 5.561 local terms energy: -689.627508 where: bonds (distance) C4'-P energy: -151.303 bonds (distance) P-C4' energy: -154.724 flat angles C4'-P-C4' energy: -156.430 flat angles P-C4'-P energy: -104.163 tors. eta vs tors. theta energy: -123.007 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: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1429.390645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.390645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.390645 (E_RNA) where: Base-Base interactions energy: -773.188 where: short stacking energy: -421.480 Base-Backbone interact. energy: -3.218 local terms energy: -652.984689 where: bonds (distance) C4'-P energy: -141.756 bonds (distance) P-C4' energy: -159.111 flat angles C4'-P-C4' energy: -163.322 flat angles P-C4'-P energy: -103.980 tors. eta vs tors. theta energy: -84.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1380.367592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.367592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.367592 (E_RNA) where: Base-Base interactions energy: -772.014 where: short stacking energy: -444.856 Base-Backbone interact. energy: -0.120 local terms energy: -608.233442 where: bonds (distance) C4'-P energy: -141.810 bonds (distance) P-C4' energy: -166.692 flat angles C4'-P-C4' energy: -140.689 flat angles P-C4'-P energy: -93.120 tors. eta vs tors. theta energy: -65.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1364.199571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.199571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.199571 (E_RNA) where: Base-Base interactions energy: -769.600 where: short stacking energy: -384.362 Base-Backbone interact. energy: 0.466 local terms energy: -595.065441 where: bonds (distance) C4'-P energy: -148.394 bonds (distance) P-C4' energy: -144.209 flat angles C4'-P-C4' energy: -138.611 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -58.524 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: 8, replica: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1156.787812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.787812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.787812 (E_RNA) where: Base-Base interactions energy: -658.573 where: short stacking energy: -361.042 Base-Backbone interact. energy: -2.644 local terms energy: -495.571105 where: bonds (distance) C4'-P energy: -137.317 bonds (distance) P-C4' energy: -117.784 flat angles C4'-P-C4' energy: -126.455 flat angles P-C4'-P energy: -78.992 tors. eta vs tors. theta energy: -35.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -994.969657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.969657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.969657 (E_RNA) where: Base-Base interactions energy: -504.193 where: short stacking energy: -296.418 Base-Backbone interact. energy: -0.569 local terms energy: -490.207783 where: bonds (distance) C4'-P energy: -130.743 bonds (distance) P-C4' energy: -146.642 flat angles C4'-P-C4' energy: -127.548 flat angles P-C4'-P energy: -76.424 tors. eta vs tors. theta energy: -8.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -754.847736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.847736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.847736 (E_RNA) where: Base-Base interactions energy: -313.586 where: short stacking energy: -224.238 Base-Backbone interact. energy: -0.132 local terms energy: -441.129903 where: bonds (distance) C4'-P energy: -146.629 bonds (distance) P-C4' energy: -141.458 flat angles C4'-P-C4' energy: -117.221 flat angles P-C4'-P energy: -57.233 tors. eta vs tors. theta energy: 21.411 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: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2304.950315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.950315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.950315 (E_RNA) where: Base-Base interactions energy: -1465.701 where: short stacking energy: -781.024 Base-Backbone interact. energy: -4.766 local terms energy: -834.483650 where: bonds (distance) C4'-P energy: -164.775 bonds (distance) P-C4' energy: -168.419 flat angles C4'-P-C4' energy: -185.094 flat angles P-C4'-P energy: -115.159 tors. eta vs tors. theta energy: -201.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2195.960683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.960683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.960683 (E_RNA) where: Base-Base interactions energy: -1374.446 where: short stacking energy: -716.602 Base-Backbone interact. energy: -3.976 local terms energy: -817.539270 where: bonds (distance) C4'-P energy: -159.051 bonds (distance) P-C4' energy: -172.664 flat angles C4'-P-C4' energy: -196.112 flat angles P-C4'-P energy: -115.639 tors. eta vs tors. theta energy: -174.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1852.838247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.838247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.838247 (E_RNA) where: Base-Base interactions energy: -1095.827 where: short stacking energy: -611.171 Base-Backbone interact. energy: 2.759 local terms energy: -759.770143 where: bonds (distance) C4'-P energy: -167.623 bonds (distance) P-C4' energy: -173.831 flat angles C4'-P-C4' energy: -161.550 flat angles P-C4'-P energy: -107.896 tors. eta vs tors. theta energy: -148.870 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: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1559.068020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.068020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.068020 (E_RNA) where: Base-Base interactions energy: -881.092 where: short stacking energy: -502.063 Base-Backbone interact. energy: -0.806 local terms energy: -677.169759 where: bonds (distance) C4'-P energy: -155.778 bonds (distance) P-C4' energy: -158.798 flat angles C4'-P-C4' energy: -166.952 flat angles P-C4'-P energy: -93.366 tors. eta vs tors. theta energy: -102.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1459.277960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.277960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.277960 (E_RNA) where: Base-Base interactions energy: -827.897 where: short stacking energy: -497.736 Base-Backbone interact. energy: 5.115 local terms energy: -636.496212 where: bonds (distance) C4'-P energy: -144.756 bonds (distance) P-C4' energy: -152.499 flat angles C4'-P-C4' energy: -153.227 flat angles P-C4'-P energy: -99.951 tors. eta vs tors. theta energy: -86.064 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: 6, replica: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1400.831254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.831254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.831254 (E_RNA) where: Base-Base interactions energy: -807.619 where: short stacking energy: -424.617 Base-Backbone interact. energy: -3.573 local terms energy: -589.639551 where: bonds (distance) C4'-P energy: -131.045 bonds (distance) P-C4' energy: -151.696 flat angles C4'-P-C4' energy: -150.230 flat angles P-C4'-P energy: -96.699 tors. eta vs tors. theta energy: -59.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1325.466252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.466252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.466252 (E_RNA) where: Base-Base interactions energy: -739.535 where: short stacking energy: -401.315 Base-Backbone interact. energy: -3.563 local terms energy: -582.368641 where: bonds (distance) C4'-P energy: -131.600 bonds (distance) P-C4' energy: -155.787 flat angles C4'-P-C4' energy: -162.462 flat angles P-C4'-P energy: -83.080 tors. eta vs tors. theta energy: -49.440 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: 2 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1171.235468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.235468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.235468 (E_RNA) where: Base-Base interactions energy: -649.685 where: short stacking energy: -372.432 Base-Backbone interact. energy: 5.670 local terms energy: -527.220133 where: bonds (distance) C4'-P energy: -124.592 bonds (distance) P-C4' energy: -138.444 flat angles C4'-P-C4' energy: -137.611 flat angles P-C4'-P energy: -78.543 tors. eta vs tors. theta energy: -48.031 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: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -941.564326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.564326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.564326 (E_RNA) where: Base-Base interactions energy: -466.635 where: short stacking energy: -274.411 Base-Backbone interact. energy: 2.358 local terms energy: -477.288074 where: bonds (distance) C4'-P energy: -120.688 bonds (distance) P-C4' energy: -136.120 flat angles C4'-P-C4' energy: -121.007 flat angles P-C4'-P energy: -96.250 tors. eta vs tors. theta energy: -3.223 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: 1 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -781.747364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.747364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.747364 (E_RNA) where: Base-Base interactions energy: -299.552 where: short stacking energy: -231.356 Base-Backbone interact. energy: 9.889 local terms energy: -492.084752 where: bonds (distance) C4'-P energy: -147.612 bonds (distance) P-C4' energy: -139.249 flat angles C4'-P-C4' energy: -127.262 flat angles P-C4'-P energy: -81.924 tors. eta vs tors. theta energy: 3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2237.469041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.469041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.469041 (E_RNA) where: Base-Base interactions energy: -1423.425 where: short stacking energy: -730.625 Base-Backbone interact. energy: -3.279 local terms energy: -810.765052 where: bonds (distance) C4'-P energy: -147.307 bonds (distance) P-C4' energy: -176.812 flat angles C4'-P-C4' energy: -192.652 flat angles P-C4'-P energy: -111.525 tors. eta vs tors. theta energy: -182.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2210.747039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.747039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.747039 (E_RNA) where: Base-Base interactions energy: -1411.347 where: short stacking energy: -712.534 Base-Backbone interact. energy: -2.680 local terms energy: -796.720076 where: bonds (distance) C4'-P energy: -164.327 bonds (distance) P-C4' energy: -164.564 flat angles C4'-P-C4' energy: -171.082 flat angles P-C4'-P energy: -119.225 tors. eta vs tors. theta energy: -177.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1854.967521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.967521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.967521 (E_RNA) where: Base-Base interactions energy: -1105.817 where: short stacking energy: -613.297 Base-Backbone interact. energy: -3.512 local terms energy: -745.638298 where: bonds (distance) C4'-P energy: -172.848 bonds (distance) P-C4' energy: -162.959 flat angles C4'-P-C4' energy: -172.481 flat angles P-C4'-P energy: -89.162 tors. eta vs tors. theta energy: -148.189 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: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1597.783175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.783175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.783175 (E_RNA) where: Base-Base interactions energy: -896.875 where: short stacking energy: -495.609 Base-Backbone interact. energy: 0.619 local terms energy: -701.526618 where: bonds (distance) C4'-P energy: -171.938 bonds (distance) P-C4' energy: -170.260 flat angles C4'-P-C4' energy: -156.249 flat angles P-C4'-P energy: -104.795 tors. eta vs tors. theta energy: -98.285 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: 5, replica: 10 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1613.281532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.281532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.281532 (E_RNA) where: Base-Base interactions energy: -943.300 where: short stacking energy: -506.772 Base-Backbone interact. energy: -0.843 local terms energy: -669.137923 where: bonds (distance) C4'-P energy: -149.026 bonds (distance) P-C4' energy: -160.320 flat angles C4'-P-C4' energy: -150.270 flat angles P-C4'-P energy: -98.634 tors. eta vs tors. theta energy: -110.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1390.138703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.138703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.138703 (E_RNA) where: Base-Base interactions energy: -782.021 where: short stacking energy: -458.066 Base-Backbone interact. energy: -2.594 local terms energy: -605.523684 where: bonds (distance) C4'-P energy: -125.422 bonds (distance) P-C4' energy: -154.598 flat angles C4'-P-C4' energy: -147.695 flat angles P-C4'-P energy: -98.345 tors. eta vs tors. theta energy: -79.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1369.649243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.649243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.649243 (E_RNA) where: Base-Base interactions energy: -800.764 where: short stacking energy: -388.871 Base-Backbone interact. energy: 0.119 local terms energy: -569.004192 where: bonds (distance) C4'-P energy: -149.171 bonds (distance) P-C4' energy: -143.104 flat angles C4'-P-C4' energy: -141.906 flat angles P-C4'-P energy: -85.924 tors. eta vs tors. theta energy: -48.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1130.103625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.103625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.103625 (E_RNA) where: Base-Base interactions energy: -638.355 where: short stacking energy: -363.297 Base-Backbone interact. energy: 7.310 local terms energy: -499.058262 where: bonds (distance) C4'-P energy: -132.129 bonds (distance) P-C4' energy: -143.106 flat angles C4'-P-C4' energy: -120.470 flat angles P-C4'-P energy: -86.878 tors. eta vs tors. theta energy: -16.475 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: 20 Temperature: 1.300000 Total energy: -976.745497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.745497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.745497 (E_RNA) where: Base-Base interactions energy: -467.675 where: short stacking energy: -248.897 Base-Backbone interact. energy: 0.483 local terms energy: -509.553758 where: bonds (distance) C4'-P energy: -150.854 bonds (distance) P-C4' energy: -152.164 flat angles C4'-P-C4' energy: -138.366 flat angles P-C4'-P energy: -75.256 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: 10, replica: 1 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -792.452192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.452192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.452192 (E_RNA) where: Base-Base interactions energy: -353.038 where: short stacking energy: -261.334 Base-Backbone interact. energy: 1.727 local terms energy: -441.140669 where: bonds (distance) C4'-P energy: -123.187 bonds (distance) P-C4' energy: -140.505 flat angles C4'-P-C4' energy: -120.680 flat angles P-C4'-P energy: -62.830 tors. eta vs tors. theta energy: 6.061 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: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2265.510181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.510181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.510181 (E_RNA) where: Base-Base interactions energy: -1472.014 where: short stacking energy: -691.422 Base-Backbone interact. energy: -1.757 local terms energy: -791.738449 where: bonds (distance) C4'-P energy: -176.630 bonds (distance) P-C4' energy: -158.694 flat angles C4'-P-C4' energy: -183.290 flat angles P-C4'-P energy: -114.902 tors. eta vs tors. theta energy: -158.223 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: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2282.589975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.589975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.589975 (E_RNA) where: Base-Base interactions energy: -1465.430 where: short stacking energy: -715.063 Base-Backbone interact. energy: -5.475 local terms energy: -811.684596 where: bonds (distance) C4'-P energy: -162.775 bonds (distance) P-C4' energy: -166.532 flat angles C4'-P-C4' energy: -182.530 flat angles P-C4'-P energy: -107.025 tors. eta vs tors. theta energy: -192.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1983.672617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.672617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.672617 (E_RNA) where: Base-Base interactions energy: -1202.174 where: short stacking energy: -640.690 Base-Backbone interact. energy: 1.196 local terms energy: -782.694241 where: bonds (distance) C4'-P energy: -159.039 bonds (distance) P-C4' energy: -170.509 flat angles C4'-P-C4' energy: -157.163 flat angles P-C4'-P energy: -119.922 tors. eta vs tors. theta energy: -176.060 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: 4, replica: 10 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1816.452630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.452630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.452630 (E_RNA) where: Base-Base interactions energy: -1096.576 where: short stacking energy: -624.396 Base-Backbone interact. energy: 3.048 local terms energy: -722.924808 where: bonds (distance) C4'-P energy: -152.820 bonds (distance) P-C4' energy: -148.519 flat angles C4'-P-C4' energy: -172.178 flat angles P-C4'-P energy: -104.510 tors. eta vs tors. theta energy: -144.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1589.662349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.662349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.662349 (E_RNA) where: Base-Base interactions energy: -907.761 where: short stacking energy: -531.660 Base-Backbone interact. energy: -3.067 local terms energy: -678.835084 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -166.990 flat angles C4'-P-C4' energy: -165.280 flat angles P-C4'-P energy: -104.458 tors. eta vs tors. theta energy: -105.728 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: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1556.672489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.672489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.672489 (E_RNA) where: Base-Base interactions energy: -990.779 where: short stacking energy: -484.363 Base-Backbone interact. energy: 6.457 local terms energy: -572.350257 where: bonds (distance) C4'-P energy: -124.941 bonds (distance) P-C4' energy: -157.430 flat angles C4'-P-C4' energy: -133.022 flat angles P-C4'-P energy: -79.197 tors. eta vs tors. theta energy: -77.761 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: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1339.290125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.290125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.290125 (E_RNA) where: Base-Base interactions energy: -752.946 where: short stacking energy: -411.608 Base-Backbone interact. energy: -2.922 local terms energy: -583.421647 where: bonds (distance) C4'-P energy: -129.637 bonds (distance) P-C4' energy: -160.143 flat angles C4'-P-C4' energy: -144.157 flat angles P-C4'-P energy: -77.528 tors. eta vs tors. theta energy: -71.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1208.538564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.538564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.538564 (E_RNA) where: Base-Base interactions energy: -696.226 where: short stacking energy: -376.542 Base-Backbone interact. energy: -4.410 local terms energy: -507.903044 where: bonds (distance) C4'-P energy: -101.894 bonds (distance) P-C4' energy: -142.299 flat angles C4'-P-C4' energy: -140.608 flat angles P-C4'-P energy: -85.250 tors. eta vs tors. theta energy: -37.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1049.687871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.687871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.687871 (E_RNA) where: Base-Base interactions energy: -557.513 where: short stacking energy: -295.393 Base-Backbone interact. energy: 6.580 local terms energy: -498.754259 where: bonds (distance) C4'-P energy: -151.536 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -111.169 flat angles P-C4'-P energy: -76.732 tors. eta vs tors. theta energy: -19.406 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: 1 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -742.109846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.109846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.109846 (E_RNA) where: Base-Base interactions energy: -322.048 where: short stacking energy: -232.709 Base-Backbone interact. energy: -0.528 local terms energy: -419.534020 where: bonds (distance) C4'-P energy: -106.063 bonds (distance) P-C4' energy: -133.568 flat angles C4'-P-C4' energy: -115.088 flat angles P-C4'-P energy: -66.938 tors. eta vs tors. theta energy: 2.123 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: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2251.632053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.632053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.632053 (E_RNA) where: Base-Base interactions energy: -1448.852 where: short stacking energy: -698.831 Base-Backbone interact. energy: -4.565 local terms energy: -798.215187 where: bonds (distance) C4'-P energy: -174.530 bonds (distance) P-C4' energy: -167.222 flat angles C4'-P-C4' energy: -171.598 flat angles P-C4'-P energy: -121.092 tors. eta vs tors. theta energy: -163.773 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: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2230.863573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.863573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.863573 (E_RNA) where: Base-Base interactions energy: -1442.295 where: short stacking energy: -711.998 Base-Backbone interact. energy: -2.346 local terms energy: -786.222110 where: bonds (distance) C4'-P energy: -169.933 bonds (distance) P-C4' energy: -169.165 flat angles C4'-P-C4' energy: -158.542 flat angles P-C4'-P energy: -121.834 tors. eta vs tors. theta energy: -166.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1951.866343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.866343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.866343 (E_RNA) where: Base-Base interactions energy: -1210.420 where: short stacking energy: -638.857 Base-Backbone interact. energy: -3.316 local terms energy: -738.130323 where: bonds (distance) C4'-P energy: -145.586 bonds (distance) P-C4' energy: -171.869 flat angles C4'-P-C4' energy: -171.899 flat angles P-C4'-P energy: -99.400 tors. eta vs tors. theta energy: -149.376 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: 10 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1865.498827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.498827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.498827 (E_RNA) where: Base-Base interactions energy: -1155.721 where: short stacking energy: -616.984 Base-Backbone interact. energy: -0.115 local terms energy: -709.662828 where: bonds (distance) C4'-P energy: -154.987 bonds (distance) P-C4' energy: -137.702 flat angles C4'-P-C4' energy: -178.973 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -144.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1696.683816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.683816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.683816 (E_RNA) where: Base-Base interactions energy: -1057.515 where: short stacking energy: -500.246 Base-Backbone interact. energy: 6.350 local terms energy: -645.518694 where: bonds (distance) C4'-P energy: -139.577 bonds (distance) P-C4' energy: -167.543 flat angles C4'-P-C4' energy: -147.629 flat angles P-C4'-P energy: -97.096 tors. eta vs tors. theta energy: -93.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1522.790787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.790787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.790787 (E_RNA) where: Base-Base interactions energy: -858.380 where: short stacking energy: -475.786 Base-Backbone interact. energy: -2.195 local terms energy: -662.215622 where: bonds (distance) C4'-P energy: -143.862 bonds (distance) P-C4' energy: -155.138 flat angles C4'-P-C4' energy: -166.997 flat angles P-C4'-P energy: -107.979 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: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1284.317267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.317267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.317267 (E_RNA) where: Base-Base interactions energy: -756.105 where: short stacking energy: -405.729 Base-Backbone interact. energy: 2.280 local terms energy: -530.491961 where: bonds (distance) C4'-P energy: -128.325 bonds (distance) P-C4' energy: -131.780 flat angles C4'-P-C4' energy: -141.349 flat angles P-C4'-P energy: -82.972 tors. eta vs tors. theta energy: -46.067 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: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1330.502043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.502043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.502043 (E_RNA) where: Base-Base interactions energy: -790.583 where: short stacking energy: -378.326 Base-Backbone interact. energy: -0.552 local terms energy: -539.366624 where: bonds (distance) C4'-P energy: -135.831 bonds (distance) P-C4' energy: -145.282 flat angles C4'-P-C4' energy: -136.963 flat angles P-C4'-P energy: -78.745 tors. eta vs tors. theta energy: -42.546 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: 22 Temperature: 1.300000 Total energy: -1042.759582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.759582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.759582 (E_RNA) where: Base-Base interactions energy: -543.766 where: short stacking energy: -310.169 Base-Backbone interact. energy: 0.474 local terms energy: -499.467450 where: bonds (distance) C4'-P energy: -122.417 bonds (distance) P-C4' energy: -137.656 flat angles C4'-P-C4' energy: -143.191 flat angles P-C4'-P energy: -70.675 tors. eta vs tors. theta energy: -25.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -750.696311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.696311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.696311 (E_RNA) where: Base-Base interactions energy: -342.498 where: short stacking energy: -232.099 Base-Backbone interact. energy: -0.557 local terms energy: -407.641456 where: bonds (distance) C4'-P energy: -127.960 bonds (distance) P-C4' energy: -134.400 flat angles C4'-P-C4' energy: -104.149 flat angles P-C4'-P energy: -66.166 tors. eta vs tors. theta energy: 25.034 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: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2284.303692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.303692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.303692 (E_RNA) where: Base-Base interactions energy: -1443.805 where: short stacking energy: -718.990 Base-Backbone interact. energy: -2.627 local terms energy: -837.871795 where: bonds (distance) C4'-P energy: -176.402 bonds (distance) P-C4' energy: -172.024 flat angles C4'-P-C4' energy: -184.486 flat angles P-C4'-P energy: -130.773 tors. eta vs tors. theta energy: -174.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2319.068082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.068082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.068082 (E_RNA) where: Base-Base interactions energy: -1495.629 where: short stacking energy: -767.496 Base-Backbone interact. energy: -2.258 local terms energy: -821.180499 where: bonds (distance) C4'-P energy: -164.603 bonds (distance) P-C4' energy: -180.319 flat angles C4'-P-C4' energy: -176.081 flat angles P-C4'-P energy: -115.120 tors. eta vs tors. theta energy: -185.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2041.696458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.696458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.696458 (E_RNA) where: Base-Base interactions energy: -1295.231 where: short stacking energy: -636.268 Base-Backbone interact. energy: -0.822 local terms energy: -745.643557 where: bonds (distance) C4'-P energy: -157.614 bonds (distance) P-C4' energy: -167.112 flat angles C4'-P-C4' energy: -166.653 flat angles P-C4'-P energy: -96.284 tors. eta vs tors. theta energy: -157.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1937.821579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.821579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.821579 (E_RNA) where: Base-Base interactions energy: -1257.646 where: short stacking energy: -580.127 Base-Backbone interact. energy: -3.988 local terms energy: -676.187792 where: bonds (distance) C4'-P energy: -146.821 bonds (distance) P-C4' energy: -153.037 flat angles C4'-P-C4' energy: -165.836 flat angles P-C4'-P energy: -95.823 tors. eta vs tors. theta energy: -114.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1695.343515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.343515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.343515 (E_RNA) where: Base-Base interactions energy: -1062.496 where: short stacking energy: -521.151 Base-Backbone interact. energy: 2.898 local terms energy: -635.745181 where: bonds (distance) C4'-P energy: -132.187 bonds (distance) P-C4' energy: -170.996 flat angles C4'-P-C4' energy: -159.393 flat angles P-C4'-P energy: -95.242 tors. eta vs tors. theta energy: -77.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1504.620676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.620676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.620676 (E_RNA) where: Base-Base interactions energy: -868.120 where: short stacking energy: -464.170 Base-Backbone interact. energy: -1.130 local terms energy: -635.370628 where: bonds (distance) C4'-P energy: -143.293 bonds (distance) P-C4' energy: -152.052 flat angles C4'-P-C4' energy: -138.266 flat angles P-C4'-P energy: -109.008 tors. eta vs tors. theta energy: -92.751 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: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1253.590767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.590767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.590767 (E_RNA) where: Base-Base interactions energy: -712.758 where: short stacking energy: -390.444 Base-Backbone interact. energy: 3.884 local terms energy: -544.716077 where: bonds (distance) C4'-P energy: -124.232 bonds (distance) P-C4' energy: -164.243 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -65.901 tors. eta vs tors. theta energy: -45.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1352.749109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.749109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.749109 (E_RNA) where: Base-Base interactions energy: -763.008 where: short stacking energy: -403.232 Base-Backbone interact. energy: 2.368 local terms energy: -592.108432 where: bonds (distance) C4'-P energy: -130.320 bonds (distance) P-C4' energy: -148.183 flat angles C4'-P-C4' energy: -158.257 flat angles P-C4'-P energy: -91.246 tors. eta vs tors. theta energy: -64.102 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: 23 Temperature: 1.300000 Total energy: -966.941206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.941206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.941206 (E_RNA) where: Base-Base interactions energy: -484.419 where: short stacking energy: -291.557 Base-Backbone interact. energy: 3.033 local terms energy: -485.554400 where: bonds (distance) C4'-P energy: -140.713 bonds (distance) P-C4' energy: -152.661 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -71.780 tors. eta vs tors. theta energy: 0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -763.963828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.963828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.963828 (E_RNA) where: Base-Base interactions energy: -325.219 where: short stacking energy: -220.858 Base-Backbone interact. energy: 0.726 local terms energy: -439.471319 where: bonds (distance) C4'-P energy: -126.344 bonds (distance) P-C4' energy: -124.720 flat angles C4'-P-C4' energy: -133.950 flat angles P-C4'-P energy: -62.725 tors. eta vs tors. theta energy: 8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2397.009434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.009434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.009434 (E_RNA) where: Base-Base interactions energy: -1531.899 where: short stacking energy: -765.180 Base-Backbone interact. energy: -1.855 local terms energy: -863.254645 where: bonds (distance) C4'-P energy: -171.250 bonds (distance) P-C4' energy: -186.685 flat angles C4'-P-C4' energy: -191.596 flat angles P-C4'-P energy: -118.890 tors. eta vs tors. theta energy: -194.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2213.083373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.083373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.083373 (E_RNA) where: Base-Base interactions energy: -1421.767 where: short stacking energy: -678.065 Base-Backbone interact. energy: -3.666 local terms energy: -787.649928 where: bonds (distance) C4'-P energy: -159.161 bonds (distance) P-C4' energy: -174.097 flat angles C4'-P-C4' energy: -173.918 flat angles P-C4'-P energy: -108.388 tors. eta vs tors. theta energy: -172.086 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: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2005.359397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.359397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.359397 (E_RNA) where: Base-Base interactions energy: -1278.022 where: short stacking energy: -631.695 Base-Backbone interact. energy: -0.301 local terms energy: -727.036347 where: bonds (distance) C4'-P energy: -158.113 bonds (distance) P-C4' energy: -159.684 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -97.845 tors. eta vs tors. theta energy: -148.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2043.947609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.947609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.947609 (E_RNA) where: Base-Base interactions energy: -1332.703 where: short stacking energy: -614.477 Base-Backbone interact. energy: -1.975 local terms energy: -709.269698 where: bonds (distance) C4'-P energy: -158.280 bonds (distance) P-C4' energy: -156.971 flat angles C4'-P-C4' energy: -163.787 flat angles P-C4'-P energy: -84.629 tors. eta vs tors. theta energy: -145.603 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: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1816.031946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.031946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.031946 (E_RNA) where: Base-Base interactions energy: -1164.759 where: short stacking energy: -521.108 Base-Backbone interact. energy: 5.603 local terms energy: -656.876229 where: bonds (distance) C4'-P energy: -138.806 bonds (distance) P-C4' energy: -150.332 flat angles C4'-P-C4' energy: -152.440 flat angles P-C4'-P energy: -107.278 tors. eta vs tors. theta energy: -108.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1482.319993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.319993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.319993 (E_RNA) where: Base-Base interactions energy: -885.747 where: short stacking energy: -456.005 Base-Backbone interact. energy: -3.962 local terms energy: -592.611200 where: bonds (distance) C4'-P energy: -124.381 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -145.026 flat angles P-C4'-P energy: -79.130 tors. eta vs tors. theta energy: -84.518 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: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1398.247447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.247447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.247447 (E_RNA) where: Base-Base interactions energy: -847.147 where: short stacking energy: -421.637 Base-Backbone interact. energy: 4.566 local terms energy: -555.665994 where: bonds (distance) C4'-P energy: -114.989 bonds (distance) P-C4' energy: -143.170 flat angles C4'-P-C4' energy: -152.203 flat angles P-C4'-P energy: -86.685 tors. eta vs tors. theta energy: -58.619 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: 8, replica: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1206.925148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.925148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.925148 (E_RNA) where: Base-Base interactions energy: -642.018 where: short stacking energy: -364.496 Base-Backbone interact. energy: 3.968 local terms energy: -568.874665 where: bonds (distance) C4'-P energy: -149.451 bonds (distance) P-C4' energy: -152.218 flat angles C4'-P-C4' energy: -134.108 flat angles P-C4'-P energy: -88.111 tors. eta vs tors. theta energy: -44.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1014.372673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.372673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.372673 (E_RNA) where: Base-Base interactions energy: -549.212 where: short stacking energy: -286.774 Base-Backbone interact. energy: 13.310 local terms energy: -478.470455 where: bonds (distance) C4'-P energy: -136.249 bonds (distance) P-C4' energy: -144.377 flat angles C4'-P-C4' energy: -128.638 flat angles P-C4'-P energy: -68.256 tors. eta vs tors. theta energy: -0.951 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: 1 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -794.304930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.304930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.304930 (E_RNA) where: Base-Base interactions energy: -358.624 where: short stacking energy: -250.351 Base-Backbone interact. energy: 0.486 local terms energy: -436.167184 where: bonds (distance) C4'-P energy: -126.997 bonds (distance) P-C4' energy: -144.705 flat angles C4'-P-C4' energy: -134.895 flat angles P-C4'-P energy: -50.539 tors. eta vs tors. theta energy: 20.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2393.724915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.724915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.724915 (E_RNA) where: Base-Base interactions energy: -1579.298 where: short stacking energy: -757.526 Base-Backbone interact. energy: -3.295 local terms energy: -811.132087 where: bonds (distance) C4'-P energy: -147.952 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -192.148 flat angles P-C4'-P energy: -114.447 tors. eta vs tors. theta energy: -190.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2159.782655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.782655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.782655 (E_RNA) where: Base-Base interactions energy: -1360.219 where: short stacking energy: -707.199 Base-Backbone interact. energy: -2.359 local terms energy: -797.203963 where: bonds (distance) C4'-P energy: -167.982 bonds (distance) P-C4' energy: -172.833 flat angles C4'-P-C4' energy: -175.847 flat angles P-C4'-P energy: -105.329 tors. eta vs tors. theta energy: -175.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1983.277418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.277418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.277418 (E_RNA) where: Base-Base interactions energy: -1249.331 where: short stacking energy: -638.895 Base-Backbone interact. energy: -1.493 local terms energy: -732.453385 where: bonds (distance) C4'-P energy: -142.169 bonds (distance) P-C4' energy: -171.772 flat angles C4'-P-C4' energy: -185.418 flat angles P-C4'-P energy: -99.345 tors. eta vs tors. theta energy: -133.750 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: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2068.168116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.168116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.168116 (E_RNA) where: Base-Base interactions energy: -1311.004 where: short stacking energy: -607.949 Base-Backbone interact. energy: -4.665 local terms energy: -752.499210 where: bonds (distance) C4'-P energy: -145.513 bonds (distance) P-C4' energy: -160.034 flat angles C4'-P-C4' energy: -182.142 flat angles P-C4'-P energy: -110.066 tors. eta vs tors. theta energy: -154.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1874.357200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.357200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.357200 (E_RNA) where: Base-Base interactions energy: -1219.963 where: short stacking energy: -530.910 Base-Backbone interact. energy: -0.502 local terms energy: -653.892466 where: bonds (distance) C4'-P energy: -148.956 bonds (distance) P-C4' energy: -136.575 flat angles C4'-P-C4' energy: -160.502 flat angles P-C4'-P energy: -89.104 tors. eta vs tors. theta energy: -118.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1483.094603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.094603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.094603 (E_RNA) where: Base-Base interactions energy: -877.420 where: short stacking energy: -484.021 Base-Backbone interact. energy: 0.319 local terms energy: -605.993988 where: bonds (distance) C4'-P energy: -149.933 bonds (distance) P-C4' energy: -159.398 flat angles C4'-P-C4' energy: -145.780 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -80.397 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: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1485.776668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.776668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.776668 (E_RNA) where: Base-Base interactions energy: -857.534 where: short stacking energy: -469.519 Base-Backbone interact. energy: -3.257 local terms energy: -624.985408 where: bonds (distance) C4'-P energy: -159.762 bonds (distance) P-C4' energy: -140.716 flat angles C4'-P-C4' energy: -147.853 flat angles P-C4'-P energy: -88.730 tors. eta vs tors. theta energy: -87.924 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: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1178.159528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.159528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.159528 (E_RNA) where: Base-Base interactions energy: -651.518 where: short stacking energy: -369.563 Base-Backbone interact. energy: 0.250 local terms energy: -526.891355 where: bonds (distance) C4'-P energy: -124.118 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -141.952 flat angles P-C4'-P energy: -78.641 tors. eta vs tors. theta energy: -45.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1088.982320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.982320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.982320 (E_RNA) where: Base-Base interactions energy: -563.601 where: short stacking energy: -310.338 Base-Backbone interact. energy: 0.083 local terms energy: -525.464644 where: bonds (distance) C4'-P energy: -131.461 bonds (distance) P-C4' energy: -160.779 flat angles C4'-P-C4' energy: -142.114 flat angles P-C4'-P energy: -72.607 tors. eta vs tors. theta energy: -18.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -882.154305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.154305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.154305 (E_RNA) where: Base-Base interactions energy: -437.806 where: short stacking energy: -264.940 Base-Backbone interact. energy: 1.689 local terms energy: -446.037874 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -139.269 flat angles C4'-P-C4' energy: -122.344 flat angles P-C4'-P energy: -76.320 tors. eta vs tors. theta energy: 1.189 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: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2441.244572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.244572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.244572 (E_RNA) where: Base-Base interactions energy: -1627.364 where: short stacking energy: -779.112 Base-Backbone interact. energy: -2.173 local terms energy: -811.707736 where: bonds (distance) C4'-P energy: -145.181 bonds (distance) P-C4' energy: -161.859 flat angles C4'-P-C4' energy: -184.520 flat angles P-C4'-P energy: -114.827 tors. eta vs tors. theta energy: -205.321 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: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2174.774794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.774794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.774794 (E_RNA) where: Base-Base interactions energy: -1394.173 where: short stacking energy: -678.655 Base-Backbone interact. energy: -2.388 local terms energy: -778.214031 where: bonds (distance) C4'-P energy: -159.614 bonds (distance) P-C4' energy: -164.278 flat angles C4'-P-C4' energy: -172.189 flat angles P-C4'-P energy: -106.500 tors. eta vs tors. theta energy: -175.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2194.310438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.310438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.310438 (E_RNA) where: Base-Base interactions energy: -1417.683 where: short stacking energy: -691.442 Base-Backbone interact. energy: -5.602 local terms energy: -771.025849 where: bonds (distance) C4'-P energy: -159.535 bonds (distance) P-C4' energy: -157.514 flat angles C4'-P-C4' energy: -170.792 flat angles P-C4'-P energy: -119.540 tors. eta vs tors. theta energy: -163.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1921.902117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.902117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.902117 (E_RNA) where: Base-Base interactions energy: -1181.476 where: short stacking energy: -595.877 Base-Backbone interact. energy: 1.069 local terms energy: -741.495138 where: bonds (distance) C4'-P energy: -139.778 bonds (distance) P-C4' energy: -166.977 flat angles C4'-P-C4' energy: -180.837 flat angles P-C4'-P energy: -101.881 tors. eta vs tors. theta energy: -152.021 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: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1842.210388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.210388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.210388 (E_RNA) where: Base-Base interactions energy: -1211.668 where: short stacking energy: -525.515 Base-Backbone interact. energy: -0.824 local terms energy: -629.718723 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -154.763 flat angles C4'-P-C4' energy: -154.734 flat angles P-C4'-P energy: -81.184 tors. eta vs tors. theta energy: -100.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1528.118798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.118798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.118798 (E_RNA) where: Base-Base interactions energy: -892.584 where: short stacking energy: -467.248 Base-Backbone interact. energy: -0.617 local terms energy: -634.917792 where: bonds (distance) C4'-P energy: -133.114 bonds (distance) P-C4' energy: -169.962 flat angles C4'-P-C4' energy: -147.102 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -106.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1468.043918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.043918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.043918 (E_RNA) where: Base-Base interactions energy: -908.232 where: short stacking energy: -468.406 Base-Backbone interact. energy: 3.252 local terms energy: -563.063283 where: bonds (distance) C4'-P energy: -126.054 bonds (distance) P-C4' energy: -155.748 flat angles C4'-P-C4' energy: -130.603 flat angles P-C4'-P energy: -70.495 tors. eta vs tors. theta energy: -80.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1209.994980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.994980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.994980 (E_RNA) where: Base-Base interactions energy: -634.611 where: short stacking energy: -372.511 Base-Backbone interact. energy: 1.881 local terms energy: -577.265386 where: bonds (distance) C4'-P energy: -146.029 bonds (distance) P-C4' energy: -148.247 flat angles C4'-P-C4' energy: -127.109 flat angles P-C4'-P energy: -94.665 tors. eta vs tors. theta energy: -61.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1122.471261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.471261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.471261 (E_RNA) where: Base-Base interactions energy: -624.925 where: short stacking energy: -299.427 Base-Backbone interact. energy: 0.481 local terms energy: -498.027234 where: bonds (distance) C4'-P energy: -136.642 bonds (distance) P-C4' energy: -147.867 flat angles C4'-P-C4' energy: -132.976 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -13.968 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: 1 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -951.052171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.052171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.052171 (E_RNA) where: Base-Base interactions energy: -495.904 where: short stacking energy: -249.699 Base-Backbone interact. energy: 1.428 local terms energy: -456.575937 where: bonds (distance) C4'-P energy: -139.544 bonds (distance) P-C4' energy: -138.842 flat angles C4'-P-C4' energy: -115.647 flat angles P-C4'-P energy: -65.805 tors. eta vs tors. theta energy: 3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2490.271579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.271579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.271579 (E_RNA) where: Base-Base interactions energy: -1655.947 where: short stacking energy: -791.541 Base-Backbone interact. energy: 0.871 local terms energy: -835.195766 where: bonds (distance) C4'-P energy: -167.085 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -185.710 flat angles P-C4'-P energy: -113.756 tors. eta vs tors. theta energy: -207.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2149.078611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.078611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.078611 (E_RNA) where: Base-Base interactions energy: -1390.518 where: short stacking energy: -680.065 Base-Backbone interact. energy: -1.333 local terms energy: -757.228378 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -180.639 flat angles C4'-P-C4' energy: -175.647 flat angles P-C4'-P energy: -109.877 tors. eta vs tors. theta energy: -147.979 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: 3, replica: 10 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2221.684448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.684448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.684448 (E_RNA) where: Base-Base interactions energy: -1425.383 where: short stacking energy: -671.843 Base-Backbone interact. energy: -0.538 local terms energy: -795.763858 where: bonds (distance) C4'-P energy: -160.803 bonds (distance) P-C4' energy: -170.730 flat angles C4'-P-C4' energy: -172.901 flat angles P-C4'-P energy: -124.385 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: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2047.989998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.989998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.989998 (E_RNA) where: Base-Base interactions energy: -1308.922 where: short stacking energy: -611.626 Base-Backbone interact. energy: -1.363 local terms energy: -737.705424 where: bonds (distance) C4'-P energy: -155.535 bonds (distance) P-C4' energy: -160.202 flat angles C4'-P-C4' energy: -169.684 flat angles P-C4'-P energy: -103.386 tors. eta vs tors. theta energy: -148.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1837.429807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.429807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.429807 (E_RNA) where: Base-Base interactions energy: -1163.575 where: short stacking energy: -597.250 Base-Backbone interact. energy: -2.266 local terms energy: -671.588647 where: bonds (distance) C4'-P energy: -144.354 bonds (distance) P-C4' energy: -150.391 flat angles C4'-P-C4' energy: -161.785 flat angles P-C4'-P energy: -81.855 tors. eta vs tors. theta energy: -133.204 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: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1562.321984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.321984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.321984 (E_RNA) where: Base-Base interactions energy: -920.914 where: short stacking energy: -505.484 Base-Backbone interact. energy: -4.779 local terms energy: -636.628445 where: bonds (distance) C4'-P energy: -157.019 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -146.505 flat angles P-C4'-P energy: -87.749 tors. eta vs tors. theta energy: -93.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1519.110255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.110255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.110255 (E_RNA) where: Base-Base interactions energy: -910.732 where: short stacking energy: -461.384 Base-Backbone interact. energy: -4.534 local terms energy: -603.843485 where: bonds (distance) C4'-P energy: -150.823 bonds (distance) P-C4' energy: -157.913 flat angles C4'-P-C4' energy: -134.619 flat angles P-C4'-P energy: -69.345 tors. eta vs tors. theta energy: -91.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1291.732132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.732132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.732132 (E_RNA) where: Base-Base interactions energy: -800.495 where: short stacking energy: -415.901 Base-Backbone interact. energy: 1.056 local terms energy: -492.293168 where: bonds (distance) C4'-P energy: -101.941 bonds (distance) P-C4' energy: -137.546 flat angles C4'-P-C4' energy: -111.759 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -66.087 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: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1132.513499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.513499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.513499 (E_RNA) where: Base-Base interactions energy: -600.988 where: short stacking energy: -338.716 Base-Backbone interact. energy: 0.173 local terms energy: -531.698375 where: bonds (distance) C4'-P energy: -108.503 bonds (distance) P-C4' energy: -134.627 flat angles C4'-P-C4' energy: -135.055 flat angles P-C4'-P energy: -113.575 tors. eta vs tors. theta energy: -39.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -957.606415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.606415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.606415 (E_RNA) where: Base-Base interactions energy: -497.985 where: short stacking energy: -261.065 Base-Backbone interact. energy: -2.716 local terms energy: -456.905544 where: bonds (distance) C4'-P energy: -136.017 bonds (distance) P-C4' energy: -139.493 flat angles C4'-P-C4' energy: -120.472 flat angles P-C4'-P energy: -67.762 tors. eta vs tors. theta energy: 6.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2494.079197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.079197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.079197 (E_RNA) where: Base-Base interactions energy: -1655.862 where: short stacking energy: -776.099 Base-Backbone interact. energy: 1.464 local terms energy: -839.681284 where: bonds (distance) C4'-P energy: -181.520 bonds (distance) P-C4' energy: -176.731 flat angles C4'-P-C4' energy: -184.907 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -192.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2175.432168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.432168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.432168 (E_RNA) where: Base-Base interactions energy: -1390.208 where: short stacking energy: -662.677 Base-Backbone interact. energy: 1.475 local terms energy: -786.699062 where: bonds (distance) C4'-P energy: -159.103 bonds (distance) P-C4' energy: -163.656 flat angles C4'-P-C4' energy: -176.340 flat angles P-C4'-P energy: -115.551 tors. eta vs tors. theta energy: -172.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2291.970762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.970762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.970762 (E_RNA) where: Base-Base interactions energy: -1504.265 where: short stacking energy: -684.110 Base-Backbone interact. energy: -2.178 local terms energy: -785.527938 where: bonds (distance) C4'-P energy: -155.690 bonds (distance) P-C4' energy: -168.947 flat angles C4'-P-C4' energy: -185.578 flat angles P-C4'-P energy: -114.301 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: 4, replica: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2086.686488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.686488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.686488 (E_RNA) where: Base-Base interactions energy: -1391.410 where: short stacking energy: -638.835 Base-Backbone interact. energy: -6.022 local terms energy: -689.254501 where: bonds (distance) C4'-P energy: -149.374 bonds (distance) P-C4' energy: -142.255 flat angles C4'-P-C4' energy: -166.134 flat angles P-C4'-P energy: -108.243 tors. eta vs tors. theta energy: -123.248 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: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1849.731655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.731655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.731655 (E_RNA) where: Base-Base interactions energy: -1143.006 where: short stacking energy: -583.791 Base-Backbone interact. energy: -2.263 local terms energy: -704.463286 where: bonds (distance) C4'-P energy: -155.936 bonds (distance) P-C4' energy: -148.742 flat angles C4'-P-C4' energy: -160.299 flat angles P-C4'-P energy: -100.761 tors. eta vs tors. theta energy: -138.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1672.708205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.708205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.708205 (E_RNA) where: Base-Base interactions energy: -1008.109 where: short stacking energy: -498.563 Base-Backbone interact. energy: -0.756 local terms energy: -663.842603 where: bonds (distance) C4'-P energy: -150.775 bonds (distance) P-C4' energy: -149.747 flat angles C4'-P-C4' energy: -140.249 flat angles P-C4'-P energy: -117.878 tors. eta vs tors. theta energy: -105.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1483.802547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.802547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.802547 (E_RNA) where: Base-Base interactions energy: -910.089 where: short stacking energy: -418.225 Base-Backbone interact. energy: -2.629 local terms energy: -571.084832 where: bonds (distance) C4'-P energy: -147.681 bonds (distance) P-C4' energy: -124.076 flat angles C4'-P-C4' energy: -123.023 flat angles P-C4'-P energy: -105.312 tors. eta vs tors. theta energy: -70.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1316.847526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.847526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.847526 (E_RNA) where: Base-Base interactions energy: -766.194 where: short stacking energy: -419.622 Base-Backbone interact. energy: -0.483 local terms energy: -550.170142 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -123.885 flat angles C4'-P-C4' energy: -148.339 flat angles P-C4'-P energy: -66.186 tors. eta vs tors. theta energy: -61.382 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: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1023.041911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.041911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.041911 (E_RNA) where: Base-Base interactions energy: -544.883 where: short stacking energy: -327.661 Base-Backbone interact. energy: 10.782 local terms energy: -488.941282 where: bonds (distance) C4'-P energy: -144.899 bonds (distance) P-C4' energy: -155.588 flat angles C4'-P-C4' energy: -110.164 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -28.847 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: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -879.491667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.491667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.491667 (E_RNA) where: Base-Base interactions energy: -436.569 where: short stacking energy: -286.150 Base-Backbone interact. energy: 3.007 local terms energy: -445.929908 where: bonds (distance) C4'-P energy: -109.713 bonds (distance) P-C4' energy: -116.773 flat angles C4'-P-C4' energy: -130.710 flat angles P-C4'-P energy: -78.019 tors. eta vs tors. theta energy: -10.714 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: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2503.053529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.053529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.053529 (E_RNA) where: Base-Base interactions energy: -1657.829 where: short stacking energy: -739.764 Base-Backbone interact. energy: -4.418 local terms energy: -840.806924 where: bonds (distance) C4'-P energy: -183.984 bonds (distance) P-C4' energy: -165.490 flat angles C4'-P-C4' energy: -177.961 flat angles P-C4'-P energy: -114.096 tors. eta vs tors. theta energy: -199.276 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: 10 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2380.698519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.698519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.698519 (E_RNA) where: Base-Base interactions energy: -1604.187 where: short stacking energy: -729.649 Base-Backbone interact. energy: -4.085 local terms energy: -772.426420 where: bonds (distance) C4'-P energy: -160.178 bonds (distance) P-C4' energy: -163.544 flat angles C4'-P-C4' energy: -166.264 flat angles P-C4'-P energy: -93.358 tors. eta vs tors. theta energy: -189.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2132.546306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.546306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.546306 (E_RNA) where: Base-Base interactions energy: -1387.806 where: short stacking energy: -666.135 Base-Backbone interact. energy: -0.174 local terms energy: -744.566535 where: bonds (distance) C4'-P energy: -147.024 bonds (distance) P-C4' energy: -156.156 flat angles C4'-P-C4' energy: -168.498 flat angles P-C4'-P energy: -108.868 tors. eta vs tors. theta energy: -164.019 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: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2048.697859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.697859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.697859 (E_RNA) where: Base-Base interactions energy: -1332.968 where: short stacking energy: -616.167 Base-Backbone interact. energy: -2.834 local terms energy: -712.894926 where: bonds (distance) C4'-P energy: -144.550 bonds (distance) P-C4' energy: -165.496 flat angles C4'-P-C4' energy: -178.934 flat angles P-C4'-P energy: -96.957 tors. eta vs tors. theta energy: -126.958 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: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1741.145478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.145478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.145478 (E_RNA) where: Base-Base interactions energy: -1086.301 where: short stacking energy: -549.886 Base-Backbone interact. energy: -2.272 local terms energy: -652.572213 where: bonds (distance) C4'-P energy: -156.970 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -164.241 flat angles P-C4'-P energy: -93.756 tors. eta vs tors. theta energy: -109.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1652.682763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.682763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.682763 (E_RNA) where: Base-Base interactions energy: -1023.773 where: short stacking energy: -497.084 Base-Backbone interact. energy: 4.242 local terms energy: -633.151991 where: bonds (distance) C4'-P energy: -166.693 bonds (distance) P-C4' energy: -139.768 flat angles C4'-P-C4' energy: -134.326 flat angles P-C4'-P energy: -92.235 tors. eta vs tors. theta energy: -100.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1502.879719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.879719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.879719 (E_RNA) where: Base-Base interactions energy: -916.107 where: short stacking energy: -476.139 Base-Backbone interact. energy: 1.841 local terms energy: -588.613455 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -130.227 flat angles C4'-P-C4' energy: -153.203 flat angles P-C4'-P energy: -91.953 tors. eta vs tors. theta energy: -72.633 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: 29 Temperature: 1.250000 Total energy: -1256.175399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.175399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.175399 (E_RNA) where: Base-Base interactions energy: -732.557 where: short stacking energy: -395.741 Base-Backbone interact. energy: -3.523 local terms energy: -520.095515 where: bonds (distance) C4'-P energy: -123.781 bonds (distance) P-C4' energy: -151.076 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -53.586 tors. eta vs tors. theta energy: -51.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1091.539069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.539069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.539069 (E_RNA) where: Base-Base interactions energy: -602.402 where: short stacking energy: -311.525 Base-Backbone interact. energy: -2.110 local terms energy: -487.027633 where: bonds (distance) C4'-P energy: -119.480 bonds (distance) P-C4' energy: -155.334 flat angles C4'-P-C4' energy: -123.228 flat angles P-C4'-P energy: -75.889 tors. eta vs tors. theta energy: -13.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -877.997694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.997694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.997694 (E_RNA) where: Base-Base interactions energy: -400.072 where: short stacking energy: -236.376 Base-Backbone interact. energy: 1.306 local terms energy: -479.231224 where: bonds (distance) C4'-P energy: -162.138 bonds (distance) P-C4' energy: -135.674 flat angles C4'-P-C4' energy: -120.951 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -6.252 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: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2522.817539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.817539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.817539 (E_RNA) where: Base-Base interactions energy: -1683.290 where: short stacking energy: -766.640 Base-Backbone interact. energy: -6.643 local terms energy: -832.884775 where: bonds (distance) C4'-P energy: -179.350 bonds (distance) P-C4' energy: -172.244 flat angles C4'-P-C4' energy: -177.675 flat angles P-C4'-P energy: -102.736 tors. eta vs tors. theta energy: -200.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2458.365400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.365400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.365400 (E_RNA) where: Base-Base interactions energy: -1646.177 where: short stacking energy: -733.147 Base-Backbone interact. energy: -5.486 local terms energy: -806.701578 where: bonds (distance) C4'-P energy: -157.801 bonds (distance) P-C4' energy: -151.916 flat angles C4'-P-C4' energy: -190.129 flat angles P-C4'-P energy: -110.247 tors. eta vs tors. theta energy: -196.609 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: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2138.219929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.219929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.219929 (E_RNA) where: Base-Base interactions energy: -1379.589 where: short stacking energy: -678.787 Base-Backbone interact. energy: 4.868 local terms energy: -763.498977 where: bonds (distance) C4'-P energy: -151.438 bonds (distance) P-C4' energy: -150.676 flat angles C4'-P-C4' energy: -182.345 flat angles P-C4'-P energy: -105.688 tors. eta vs tors. theta energy: -173.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2069.674638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.674638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.674638 (E_RNA) where: Base-Base interactions energy: -1366.115 where: short stacking energy: -633.960 Base-Backbone interact. energy: 0.497 local terms energy: -704.057131 where: bonds (distance) C4'-P energy: -150.750 bonds (distance) P-C4' energy: -147.297 flat angles C4'-P-C4' energy: -173.971 flat angles P-C4'-P energy: -95.998 tors. eta vs tors. theta energy: -136.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1784.303678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.303678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.303678 (E_RNA) where: Base-Base interactions energy: -1109.573 where: short stacking energy: -556.449 Base-Backbone interact. energy: 4.362 local terms energy: -679.092385 where: bonds (distance) C4'-P energy: -143.784 bonds (distance) P-C4' energy: -147.958 flat angles C4'-P-C4' energy: -160.255 flat angles P-C4'-P energy: -91.410 tors. eta vs tors. theta energy: -135.686 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: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1659.147746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.147746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.147746 (E_RNA) where: Base-Base interactions energy: -1016.184 where: short stacking energy: -523.179 Base-Backbone interact. energy: 0.497 local terms energy: -643.460860 where: bonds (distance) C4'-P energy: -150.938 bonds (distance) P-C4' energy: -151.614 flat angles C4'-P-C4' energy: -162.365 flat angles P-C4'-P energy: -73.085 tors. eta vs tors. theta energy: -105.460 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: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1551.773204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.773204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.773204 (E_RNA) where: Base-Base interactions energy: -947.685 where: short stacking energy: -455.281 Base-Backbone interact. energy: -4.592 local terms energy: -599.495846 where: bonds (distance) C4'-P energy: -142.952 bonds (distance) P-C4' energy: -156.277 flat angles C4'-P-C4' energy: -149.674 flat angles P-C4'-P energy: -71.319 tors. eta vs tors. theta energy: -79.274 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: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1261.937219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.937219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.937219 (E_RNA) where: Base-Base interactions energy: -715.002 where: short stacking energy: -382.139 Base-Backbone interact. energy: -0.010 local terms energy: -546.925281 where: bonds (distance) C4'-P energy: -142.002 bonds (distance) P-C4' energy: -134.928 flat angles C4'-P-C4' energy: -144.422 flat angles P-C4'-P energy: -70.189 tors. eta vs tors. theta energy: -55.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1067.525394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.525394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.525394 (E_RNA) where: Base-Base interactions energy: -587.871 where: short stacking energy: -336.405 Base-Backbone interact. energy: -2.696 local terms energy: -476.957908 where: bonds (distance) C4'-P energy: -117.302 bonds (distance) P-C4' energy: -138.945 flat angles C4'-P-C4' energy: -147.348 flat angles P-C4'-P energy: -68.410 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: 10, replica: 1 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -906.012865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.012865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.012865 (E_RNA) where: Base-Base interactions energy: -452.092 where: short stacking energy: -272.627 Base-Backbone interact. energy: 2.443 local terms energy: -456.363833 where: bonds (distance) C4'-P energy: -129.516 bonds (distance) P-C4' energy: -126.238 flat angles C4'-P-C4' energy: -130.686 flat angles P-C4'-P energy: -72.124 tors. eta vs tors. theta energy: 2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2537.188480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.188480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.188480 (E_RNA) where: Base-Base interactions energy: -1700.460 where: short stacking energy: -767.329 Base-Backbone interact. energy: 0.919 local terms energy: -837.647699 where: bonds (distance) C4'-P energy: -173.528 bonds (distance) P-C4' energy: -164.941 flat angles C4'-P-C4' energy: -177.613 flat angles P-C4'-P energy: -111.220 tors. eta vs tors. theta energy: -210.346 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: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2454.396976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.396976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.396976 (E_RNA) where: Base-Base interactions energy: -1665.322 where: short stacking energy: -713.753 Base-Backbone interact. energy: -3.171 local terms energy: -785.903287 where: bonds (distance) C4'-P energy: -161.418 bonds (distance) P-C4' energy: -177.695 flat angles C4'-P-C4' energy: -169.508 flat angles P-C4'-P energy: -108.597 tors. eta vs tors. theta energy: -168.686 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: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2117.224285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.224285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.224285 (E_RNA) where: Base-Base interactions energy: -1382.502 where: short stacking energy: -655.205 Base-Backbone interact. energy: -2.400 local terms energy: -732.323022 where: bonds (distance) C4'-P energy: -150.948 bonds (distance) P-C4' energy: -165.135 flat angles C4'-P-C4' energy: -171.405 flat angles P-C4'-P energy: -101.531 tors. eta vs tors. theta energy: -143.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2096.002374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.002374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.002374 (E_RNA) where: Base-Base interactions energy: -1368.285 where: short stacking energy: -622.101 Base-Backbone interact. energy: 0.212 local terms energy: -727.929904 where: bonds (distance) C4'-P energy: -153.678 bonds (distance) P-C4' energy: -167.549 flat angles C4'-P-C4' energy: -177.302 flat angles P-C4'-P energy: -92.755 tors. eta vs tors. theta energy: -136.646 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: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1814.852646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.852646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.852646 (E_RNA) where: Base-Base interactions energy: -1114.267 where: short stacking energy: -551.257 Base-Backbone interact. energy: -3.213 local terms energy: -697.373259 where: bonds (distance) C4'-P energy: -157.018 bonds (distance) P-C4' energy: -138.753 flat angles C4'-P-C4' energy: -159.143 flat angles P-C4'-P energy: -108.226 tors. eta vs tors. theta energy: -134.234 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: 31 Temperature: 1.150000 Total energy: -1649.601570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.601570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.601570 (E_RNA) where: Base-Base interactions energy: -999.099 where: short stacking energy: -495.301 Base-Backbone interact. energy: -0.524 local terms energy: -649.978411 where: bonds (distance) C4'-P energy: -151.377 bonds (distance) P-C4' energy: -155.165 flat angles C4'-P-C4' energy: -142.435 flat angles P-C4'-P energy: -95.042 tors. eta vs tors. theta energy: -105.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1495.671297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.671297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.671297 (E_RNA) where: Base-Base interactions energy: -900.319 where: short stacking energy: -475.823 Base-Backbone interact. energy: 0.021 local terms energy: -595.373788 where: bonds (distance) C4'-P energy: -136.591 bonds (distance) P-C4' energy: -139.350 flat angles C4'-P-C4' energy: -139.978 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -95.413 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: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1289.421860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.421860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.421860 (E_RNA) where: Base-Base interactions energy: -753.863 where: short stacking energy: -385.043 Base-Backbone interact. energy: 5.473 local terms energy: -541.032001 where: bonds (distance) C4'-P energy: -131.134 bonds (distance) P-C4' energy: -145.759 flat angles C4'-P-C4' energy: -137.357 flat angles P-C4'-P energy: -73.459 tors. eta vs tors. theta energy: -53.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1022.583417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.583417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.583417 (E_RNA) where: Base-Base interactions energy: -537.455 where: short stacking energy: -306.805 Base-Backbone interact. energy: 3.866 local terms energy: -488.995093 where: bonds (distance) C4'-P energy: -136.668 bonds (distance) P-C4' energy: -157.942 flat angles C4'-P-C4' energy: -111.727 flat angles P-C4'-P energy: -83.122 tors. eta vs tors. theta energy: 0.464 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: 10, replica: 1 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -855.361458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.361458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.361458 (E_RNA) where: Base-Base interactions energy: -433.360 where: short stacking energy: -274.559 Base-Backbone interact. energy: -2.409 local terms energy: -419.591980 where: bonds (distance) C4'-P energy: -134.953 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -99.816 flat angles P-C4'-P energy: -64.970 tors. eta vs tors. theta energy: 1.751 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: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2539.312645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.312645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.312645 (E_RNA) where: Base-Base interactions energy: -1718.618 where: short stacking energy: -738.673 Base-Backbone interact. energy: -2.423 local terms energy: -818.271235 where: bonds (distance) C4'-P energy: -156.079 bonds (distance) P-C4' energy: -163.123 flat angles C4'-P-C4' energy: -189.196 flat angles P-C4'-P energy: -118.127 tors. eta vs tors. theta energy: -191.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2482.047159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.047159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.047159 (E_RNA) where: Base-Base interactions energy: -1632.215 where: short stacking energy: -709.238 Base-Backbone interact. energy: -3.328 local terms energy: -846.504201 where: bonds (distance) C4'-P energy: -171.023 bonds (distance) P-C4' energy: -176.915 flat angles C4'-P-C4' energy: -184.390 flat angles P-C4'-P energy: -121.714 tors. eta vs tors. theta energy: -192.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2152.378305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.378305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.378305 (E_RNA) where: Base-Base interactions energy: -1359.308 where: short stacking energy: -669.815 Base-Backbone interact. energy: -2.538 local terms energy: -790.532701 where: bonds (distance) C4'-P energy: -166.131 bonds (distance) P-C4' energy: -190.871 flat angles C4'-P-C4' energy: -176.561 flat angles P-C4'-P energy: -115.374 tors. eta vs tors. theta energy: -141.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2016.117492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.117492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.117492 (E_RNA) where: Base-Base interactions energy: -1293.083 where: short stacking energy: -592.169 Base-Backbone interact. energy: 0.702 local terms energy: -723.735648 where: bonds (distance) C4'-P energy: -159.197 bonds (distance) P-C4' energy: -157.531 flat angles C4'-P-C4' energy: -163.622 flat angles P-C4'-P energy: -118.076 tors. eta vs tors. theta energy: -125.309 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: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1850.480406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.480406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.480406 (E_RNA) where: Base-Base interactions energy: -1132.132 where: short stacking energy: -599.844 Base-Backbone interact. energy: 0.466 local terms energy: -718.814834 where: bonds (distance) C4'-P energy: -137.692 bonds (distance) P-C4' energy: -168.500 flat angles C4'-P-C4' energy: -178.830 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -141.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1661.376579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.376579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.376579 (E_RNA) where: Base-Base interactions energy: -1036.866 where: short stacking energy: -503.702 Base-Backbone interact. energy: -0.172 local terms energy: -624.337931 where: bonds (distance) C4'-P energy: -144.658 bonds (distance) P-C4' energy: -143.360 flat angles C4'-P-C4' energy: -141.703 flat angles P-C4'-P energy: -103.608 tors. eta vs tors. theta energy: -91.009 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: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1487.347918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.347918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.347918 (E_RNA) where: Base-Base interactions energy: -906.312 where: short stacking energy: -450.628 Base-Backbone interact. energy: 1.444 local terms energy: -582.480779 where: bonds (distance) C4'-P energy: -134.921 bonds (distance) P-C4' energy: -148.124 flat angles C4'-P-C4' energy: -134.096 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -74.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1277.235735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.235735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.235735 (E_RNA) where: Base-Base interactions energy: -781.899 where: short stacking energy: -383.300 Base-Backbone interact. energy: -3.053 local terms energy: -492.284427 where: bonds (distance) C4'-P energy: -141.972 bonds (distance) P-C4' energy: -130.939 flat angles C4'-P-C4' energy: -118.262 flat angles P-C4'-P energy: -65.974 tors. eta vs tors. theta energy: -35.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1042.592436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.592436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.592436 (E_RNA) where: Base-Base interactions energy: -585.649 where: short stacking energy: -328.991 Base-Backbone interact. energy: 11.446 local terms energy: -468.389598 where: bonds (distance) C4'-P energy: -136.340 bonds (distance) P-C4' energy: -135.671 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -59.273 tors. eta vs tors. theta energy: -23.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -872.476755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.476755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.476755 (E_RNA) where: Base-Base interactions energy: -421.441 where: short stacking energy: -249.237 Base-Backbone interact. energy: 2.827 local terms energy: -453.863195 where: bonds (distance) C4'-P energy: -123.005 bonds (distance) P-C4' energy: -138.698 flat angles C4'-P-C4' energy: -106.416 flat angles P-C4'-P energy: -79.769 tors. eta vs tors. theta energy: -5.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2537.955741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.955741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.955741 (E_RNA) where: Base-Base interactions energy: -1697.161 where: short stacking energy: -756.693 Base-Backbone interact. energy: -3.812 local terms energy: -836.983336 where: bonds (distance) C4'-P energy: -160.740 bonds (distance) P-C4' energy: -175.424 flat angles C4'-P-C4' energy: -194.744 flat angles P-C4'-P energy: -110.400 tors. eta vs tors. theta energy: -195.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2420.301483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.301483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.301483 (E_RNA) where: Base-Base interactions energy: -1607.005 where: short stacking energy: -754.768 Base-Backbone interact. energy: -4.239 local terms energy: -809.057566 where: bonds (distance) C4'-P energy: -157.489 bonds (distance) P-C4' energy: -173.042 flat angles C4'-P-C4' energy: -185.264 flat angles P-C4'-P energy: -95.788 tors. eta vs tors. theta energy: -197.474 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: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2140.421464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.421464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.421464 (E_RNA) where: Base-Base interactions energy: -1429.137 where: short stacking energy: -656.676 Base-Backbone interact. energy: -2.414 local terms energy: -708.869789 where: bonds (distance) C4'-P energy: -150.553 bonds (distance) P-C4' energy: -160.822 flat angles C4'-P-C4' energy: -171.345 flat angles P-C4'-P energy: -90.408 tors. eta vs tors. theta energy: -135.742 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: 33 Temperature: 1.050000 Total energy: -2086.696769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.696769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.696769 (E_RNA) where: Base-Base interactions energy: -1357.827 where: short stacking energy: -616.367 Base-Backbone interact. energy: -2.362 local terms energy: -726.507337 where: bonds (distance) C4'-P energy: -147.159 bonds (distance) P-C4' energy: -174.489 flat angles C4'-P-C4' energy: -154.634 flat angles P-C4'-P energy: -109.083 tors. eta vs tors. theta energy: -141.143 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: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1843.743845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.743845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.743845 (E_RNA) where: Base-Base interactions energy: -1184.031 where: short stacking energy: -573.900 Base-Backbone interact. energy: -2.906 local terms energy: -656.807024 where: bonds (distance) C4'-P energy: -125.551 bonds (distance) P-C4' energy: -161.587 flat angles C4'-P-C4' energy: -147.517 flat angles P-C4'-P energy: -100.042 tors. eta vs tors. theta energy: -122.110 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: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1638.051780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.051780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.051780 (E_RNA) where: Base-Base interactions energy: -1003.974 where: short stacking energy: -507.149 Base-Backbone interact. energy: -0.508 local terms energy: -633.569230 where: bonds (distance) C4'-P energy: -140.142 bonds (distance) P-C4' energy: -132.318 flat angles C4'-P-C4' energy: -172.981 flat angles P-C4'-P energy: -86.390 tors. eta vs tors. theta energy: -101.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1536.107982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.107982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.107982 (E_RNA) where: Base-Base interactions energy: -950.429 where: short stacking energy: -471.654 Base-Backbone interact. energy: 3.081 local terms energy: -588.759692 where: bonds (distance) C4'-P energy: -118.998 bonds (distance) P-C4' energy: -162.882 flat angles C4'-P-C4' energy: -137.781 flat angles P-C4'-P energy: -82.080 tors. eta vs tors. theta energy: -87.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1347.355796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.355796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.355796 (E_RNA) where: Base-Base interactions energy: -819.676 where: short stacking energy: -399.427 Base-Backbone interact. energy: -0.280 local terms energy: -527.399142 where: bonds (distance) C4'-P energy: -154.119 bonds (distance) P-C4' energy: -126.752 flat angles C4'-P-C4' energy: -138.778 flat angles P-C4'-P energy: -66.450 tors. eta vs tors. theta energy: -41.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1125.041346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.041346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.041346 (E_RNA) where: Base-Base interactions energy: -600.018 where: short stacking energy: -324.583 Base-Backbone interact. energy: -2.719 local terms energy: -522.305056 where: bonds (distance) C4'-P energy: -147.803 bonds (distance) P-C4' energy: -149.559 flat angles C4'-P-C4' energy: -125.978 flat angles P-C4'-P energy: -85.940 tors. eta vs tors. theta energy: -13.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -914.239499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.239499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.239499 (E_RNA) where: Base-Base interactions energy: -490.900 where: short stacking energy: -263.573 Base-Backbone interact. energy: -0.618 local terms energy: -422.721932 where: bonds (distance) C4'-P energy: -122.165 bonds (distance) P-C4' energy: -139.081 flat angles C4'-P-C4' energy: -96.559 flat angles P-C4'-P energy: -67.007 tors. eta vs tors. theta energy: 2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2584.090397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.090397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.090397 (E_RNA) where: Base-Base interactions energy: -1719.056 where: short stacking energy: -803.290 Base-Backbone interact. energy: -6.521 local terms energy: -858.513124 where: bonds (distance) C4'-P energy: -157.328 bonds (distance) P-C4' energy: -165.847 flat angles C4'-P-C4' energy: -194.243 flat angles P-C4'-P energy: -120.881 tors. eta vs tors. theta energy: -220.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2422.410668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.410668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.410668 (E_RNA) where: Base-Base interactions energy: -1633.234 where: short stacking energy: -756.476 Base-Backbone interact. energy: 0.617 local terms energy: -789.793405 where: bonds (distance) C4'-P energy: -155.422 bonds (distance) P-C4' energy: -162.665 flat angles C4'-P-C4' energy: -180.014 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -194.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2196.682104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.682104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.682104 (E_RNA) where: Base-Base interactions energy: -1466.994 where: short stacking energy: -668.429 Base-Backbone interact. energy: -1.979 local terms energy: -727.709308 where: bonds (distance) C4'-P energy: -150.377 bonds (distance) P-C4' energy: -153.446 flat angles C4'-P-C4' energy: -159.708 flat angles P-C4'-P energy: -106.182 tors. eta vs tors. theta energy: -157.997 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: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2037.930451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.930451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.930451 (E_RNA) where: Base-Base interactions energy: -1354.744 where: short stacking energy: -635.852 Base-Backbone interact. energy: -0.572 local terms energy: -682.614346 where: bonds (distance) C4'-P energy: -146.244 bonds (distance) P-C4' energy: -132.580 flat angles C4'-P-C4' energy: -165.992 flat angles P-C4'-P energy: -88.625 tors. eta vs tors. theta energy: -149.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1889.234410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.234410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.234410 (E_RNA) where: Base-Base interactions energy: -1164.687 where: short stacking energy: -593.181 Base-Backbone interact. energy: 2.978 local terms energy: -727.525135 where: bonds (distance) C4'-P energy: -153.234 bonds (distance) P-C4' energy: -165.909 flat angles C4'-P-C4' energy: -158.820 flat angles P-C4'-P energy: -111.717 tors. eta vs tors. theta energy: -137.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1675.071309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.071309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.071309 (E_RNA) where: Base-Base interactions energy: -1001.442 where: short stacking energy: -513.099 Base-Backbone interact. energy: -2.179 local terms energy: -671.450228 where: bonds (distance) C4'-P energy: -152.527 bonds (distance) P-C4' energy: -152.372 flat angles C4'-P-C4' energy: -172.422 flat angles P-C4'-P energy: -83.928 tors. eta vs tors. theta energy: -110.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1489.044423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.044423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.044423 (E_RNA) where: Base-Base interactions energy: -919.207 where: short stacking energy: -447.322 Base-Backbone interact. energy: -0.908 local terms energy: -568.929510 where: bonds (distance) C4'-P energy: -120.482 bonds (distance) P-C4' energy: -149.367 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -95.367 tors. eta vs tors. theta energy: -52.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1347.810216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.810216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.810216 (E_RNA) where: Base-Base interactions energy: -828.362 where: short stacking energy: -418.554 Base-Backbone interact. energy: -1.551 local terms energy: -517.896679 where: bonds (distance) C4'-P energy: -130.318 bonds (distance) P-C4' energy: -132.412 flat angles C4'-P-C4' energy: -128.364 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -49.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1086.533798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.533798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.533798 (E_RNA) where: Base-Base interactions energy: -621.728 where: short stacking energy: -320.359 Base-Backbone interact. energy: -3.952 local terms energy: -460.853620 where: bonds (distance) C4'-P energy: -119.977 bonds (distance) P-C4' energy: -132.453 flat angles C4'-P-C4' energy: -132.142 flat angles P-C4'-P energy: -47.266 tors. eta vs tors. theta energy: -29.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -949.666528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.666528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.666528 (E_RNA) where: Base-Base interactions energy: -511.768 where: short stacking energy: -305.506 Base-Backbone interact. energy: 5.271 local terms energy: -443.169527 where: bonds (distance) C4'-P energy: -119.717 bonds (distance) P-C4' energy: -137.981 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -65.054 tors. eta vs tors. theta energy: 1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2600.691440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.691440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.691440 (E_RNA) where: Base-Base interactions energy: -1761.071 where: short stacking energy: -817.245 Base-Backbone interact. energy: -2.986 local terms energy: -836.634842 where: bonds (distance) C4'-P energy: -159.317 bonds (distance) P-C4' energy: -159.615 flat angles C4'-P-C4' energy: -188.889 flat angles P-C4'-P energy: -128.081 tors. eta vs tors. theta energy: -200.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2489.306995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.306995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.306995 (E_RNA) where: Base-Base interactions energy: -1675.950 where: short stacking energy: -752.723 Base-Backbone interact. energy: 1.333 local terms energy: -814.690239 where: bonds (distance) C4'-P energy: -151.108 bonds (distance) P-C4' energy: -177.520 flat angles C4'-P-C4' energy: -170.862 flat angles P-C4'-P energy: -115.890 tors. eta vs tors. theta energy: -199.310 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: 35 Temperature: 1.000000 Total energy: -2353.663268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.663268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.663268 (E_RNA) where: Base-Base interactions energy: -1546.305 where: short stacking energy: -700.058 Base-Backbone interact. energy: -3.644 local terms energy: -803.713966 where: bonds (distance) C4'-P energy: -162.950 bonds (distance) P-C4' energy: -170.110 flat angles C4'-P-C4' energy: -176.955 flat angles P-C4'-P energy: -125.348 tors. eta vs tors. theta energy: -168.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2049.018805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.018805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.018805 (E_RNA) where: Base-Base interactions energy: -1320.707 where: short stacking energy: -637.329 Base-Backbone interact. energy: -5.047 local terms energy: -723.265533 where: bonds (distance) C4'-P energy: -148.121 bonds (distance) P-C4' energy: -154.882 flat angles C4'-P-C4' energy: -158.755 flat angles P-C4'-P energy: -121.632 tors. eta vs tors. theta energy: -139.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1865.178054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.178054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.178054 (E_RNA) where: Base-Base interactions energy: -1151.710 where: short stacking energy: -569.402 Base-Backbone interact. energy: 5.444 local terms energy: -718.911406 where: bonds (distance) C4'-P energy: -171.799 bonds (distance) P-C4' energy: -170.262 flat angles C4'-P-C4' energy: -142.770 flat angles P-C4'-P energy: -101.855 tors. eta vs tors. theta energy: -132.224 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: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1667.975977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.975977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.975977 (E_RNA) where: Base-Base interactions energy: -1023.327 where: short stacking energy: -492.765 Base-Backbone interact. energy: 1.075 local terms energy: -645.724932 where: bonds (distance) C4'-P energy: -163.045 bonds (distance) P-C4' energy: -154.717 flat angles C4'-P-C4' energy: -149.669 flat angles P-C4'-P energy: -98.813 tors. eta vs tors. theta energy: -79.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1542.362723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.362723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.362723 (E_RNA) where: Base-Base interactions energy: -954.299 where: short stacking energy: -466.601 Base-Backbone interact. energy: -2.719 local terms energy: -585.344463 where: bonds (distance) C4'-P energy: -143.053 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -144.112 flat angles P-C4'-P energy: -81.485 tors. eta vs tors. theta energy: -60.599 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: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1324.999879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.999879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.999879 (E_RNA) where: Base-Base interactions energy: -780.808 where: short stacking energy: -383.069 Base-Backbone interact. energy: 2.842 local terms energy: -547.033881 where: bonds (distance) C4'-P energy: -132.279 bonds (distance) P-C4' energy: -151.424 flat angles C4'-P-C4' energy: -116.883 flat angles P-C4'-P energy: -98.459 tors. eta vs tors. theta energy: -47.988 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: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1166.503068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.503068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.503068 (E_RNA) where: Base-Base interactions energy: -659.989 where: short stacking energy: -322.698 Base-Backbone interact. energy: 0.863 local terms energy: -507.377610 where: bonds (distance) C4'-P energy: -120.860 bonds (distance) P-C4' energy: -157.454 flat angles C4'-P-C4' energy: -116.478 flat angles P-C4'-P energy: -72.782 tors. eta vs tors. theta energy: -39.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -941.557007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.557007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.557007 (E_RNA) where: Base-Base interactions energy: -469.967 where: short stacking energy: -278.204 Base-Backbone interact. energy: -2.628 local terms energy: -468.961486 where: bonds (distance) C4'-P energy: -141.938 bonds (distance) P-C4' energy: -139.877 flat angles C4'-P-C4' energy: -117.495 flat angles P-C4'-P energy: -68.701 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2559.059611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.059611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.059611 (E_RNA) where: Base-Base interactions energy: -1724.072 where: short stacking energy: -756.937 Base-Backbone interact. energy: -2.682 local terms energy: -832.304828 where: bonds (distance) C4'-P energy: -159.714 bonds (distance) P-C4' energy: -168.164 flat angles C4'-P-C4' energy: -174.663 flat angles P-C4'-P energy: -118.100 tors. eta vs tors. theta energy: -211.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2453.677723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.677723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.677723 (E_RNA) where: Base-Base interactions energy: -1642.119 where: short stacking energy: -753.457 Base-Backbone interact. energy: -7.024 local terms energy: -804.534915 where: bonds (distance) C4'-P energy: -147.467 bonds (distance) P-C4' energy: -167.087 flat angles C4'-P-C4' energy: -176.515 flat angles P-C4'-P energy: -114.797 tors. eta vs tors. theta energy: -198.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2341.315108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.315108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.315108 (E_RNA) where: Base-Base interactions energy: -1557.947 where: short stacking energy: -716.015 Base-Backbone interact. energy: 0.518 local terms energy: -783.885954 where: bonds (distance) C4'-P energy: -164.625 bonds (distance) P-C4' energy: -173.866 flat angles C4'-P-C4' energy: -166.511 flat angles P-C4'-P energy: -105.730 tors. eta vs tors. theta energy: -173.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2022.177915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.177915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.177915 (E_RNA) where: Base-Base interactions energy: -1318.812 where: short stacking energy: -621.826 Base-Backbone interact. energy: 3.574 local terms energy: -706.939964 where: bonds (distance) C4'-P energy: -147.879 bonds (distance) P-C4' energy: -149.943 flat angles C4'-P-C4' energy: -164.153 flat angles P-C4'-P energy: -106.413 tors. eta vs tors. theta energy: -138.552 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: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1854.146189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.146189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.146189 (E_RNA) where: Base-Base interactions energy: -1150.341 where: short stacking energy: -593.572 Base-Backbone interact. energy: -0.652 local terms energy: -703.153176 where: bonds (distance) C4'-P energy: -144.174 bonds (distance) P-C4' energy: -159.748 flat angles C4'-P-C4' energy: -154.537 flat angles P-C4'-P energy: -107.714 tors. eta vs tors. theta energy: -136.980 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: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1690.458288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.458288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.458288 (E_RNA) where: Base-Base interactions energy: -1061.743 where: short stacking energy: -490.719 Base-Backbone interact. energy: 2.508 local terms energy: -631.223070 where: bonds (distance) C4'-P energy: -139.919 bonds (distance) P-C4' energy: -147.646 flat angles C4'-P-C4' energy: -154.626 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -91.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1486.857726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.857726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.857726 (E_RNA) where: Base-Base interactions energy: -911.936 where: short stacking energy: -455.778 Base-Backbone interact. energy: 0.687 local terms energy: -575.608645 where: bonds (distance) C4'-P energy: -140.096 bonds (distance) P-C4' energy: -157.861 flat angles C4'-P-C4' energy: -146.704 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: -66.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1347.313486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.313486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.313486 (E_RNA) where: Base-Base interactions energy: -811.823 where: short stacking energy: -397.054 Base-Backbone interact. energy: -0.339 local terms energy: -535.151277 where: bonds (distance) C4'-P energy: -138.182 bonds (distance) P-C4' energy: -148.922 flat angles C4'-P-C4' energy: -138.130 flat angles P-C4'-P energy: -81.549 tors. eta vs tors. theta energy: -28.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1135.802888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.802888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.802888 (E_RNA) where: Base-Base interactions energy: -611.038 where: short stacking energy: -331.361 Base-Backbone interact. energy: 0.010 local terms energy: -524.774839 where: bonds (distance) C4'-P energy: -164.549 bonds (distance) P-C4' energy: -128.384 flat angles C4'-P-C4' energy: -137.847 flat angles P-C4'-P energy: -71.165 tors. eta vs tors. theta energy: -22.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -984.337485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.337485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.337485 (E_RNA) where: Base-Base interactions energy: -511.708 where: short stacking energy: -281.692 Base-Backbone interact. energy: -2.298 local terms energy: -470.331688 where: bonds (distance) C4'-P energy: -131.401 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -119.663 flat angles P-C4'-P energy: -78.234 tors. eta vs tors. theta energy: -16.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2617.005172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.005172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.005172 (E_RNA) where: Base-Base interactions energy: -1741.692 where: short stacking energy: -807.979 Base-Backbone interact. energy: -3.856 local terms energy: -871.456807 where: bonds (distance) C4'-P energy: -167.364 bonds (distance) P-C4' energy: -170.492 flat angles C4'-P-C4' energy: -182.483 flat angles P-C4'-P energy: -122.452 tors. eta vs tors. theta energy: -228.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2482.894156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.894156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.894156 (E_RNA) where: Base-Base interactions energy: -1681.280 where: short stacking energy: -752.672 Base-Backbone interact. energy: -4.109 local terms energy: -797.505527 where: bonds (distance) C4'-P energy: -158.949 bonds (distance) P-C4' energy: -165.725 flat angles C4'-P-C4' energy: -186.002 flat angles P-C4'-P energy: -96.312 tors. eta vs tors. theta energy: -190.517 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: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2341.449421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.449421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.449421 (E_RNA) where: Base-Base interactions energy: -1565.490 where: short stacking energy: -698.670 Base-Backbone interact. energy: -5.082 local terms energy: -770.877760 where: bonds (distance) C4'-P energy: -163.535 bonds (distance) P-C4' energy: -166.095 flat angles C4'-P-C4' energy: -160.781 flat angles P-C4'-P energy: -112.363 tors. eta vs tors. theta energy: -168.105 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: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2070.034234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.034234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.034234 (E_RNA) where: Base-Base interactions energy: -1319.695 where: short stacking energy: -628.223 Base-Backbone interact. energy: -2.468 local terms energy: -747.871265 where: bonds (distance) C4'-P energy: -148.443 bonds (distance) P-C4' energy: -155.043 flat angles C4'-P-C4' energy: -167.934 flat angles P-C4'-P energy: -116.358 tors. eta vs tors. theta energy: -160.094 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: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1875.306390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.306390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.306390 (E_RNA) where: Base-Base interactions energy: -1178.387 where: short stacking energy: -565.421 Base-Backbone interact. energy: -4.917 local terms energy: -692.001920 where: bonds (distance) C4'-P energy: -135.011 bonds (distance) P-C4' energy: -165.522 flat angles C4'-P-C4' energy: -161.857 flat angles P-C4'-P energy: -103.254 tors. eta vs tors. theta energy: -126.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1776.596049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.596049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.596049 (E_RNA) where: Base-Base interactions energy: -1140.800 where: short stacking energy: -556.660 Base-Backbone interact. energy: -2.583 local terms energy: -633.213283 where: bonds (distance) C4'-P energy: -136.834 bonds (distance) P-C4' energy: -146.941 flat angles C4'-P-C4' energy: -141.604 flat angles P-C4'-P energy: -85.109 tors. eta vs tors. theta energy: -122.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1507.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.711044 (E_RNA) where: Base-Base interactions energy: -935.824 where: short stacking energy: -438.360 Base-Backbone interact. energy: -2.423 local terms energy: -569.464009 where: bonds (distance) C4'-P energy: -152.939 bonds (distance) P-C4' energy: -134.306 flat angles C4'-P-C4' energy: -158.313 flat angles P-C4'-P energy: -75.602 tors. eta vs tors. theta energy: -48.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1321.559461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.559461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.559461 (E_RNA) where: Base-Base interactions energy: -776.480 where: short stacking energy: -413.799 Base-Backbone interact. energy: -0.700 local terms energy: -544.379576 where: bonds (distance) C4'-P energy: -111.822 bonds (distance) P-C4' energy: -138.553 flat angles C4'-P-C4' energy: -136.827 flat angles P-C4'-P energy: -90.547 tors. eta vs tors. theta energy: -66.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1137.657434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.657434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.657434 (E_RNA) where: Base-Base interactions energy: -635.026 where: short stacking energy: -344.801 Base-Backbone interact. energy: 1.440 local terms energy: -504.071163 where: bonds (distance) C4'-P energy: -145.720 bonds (distance) P-C4' energy: -120.871 flat angles C4'-P-C4' energy: -112.617 flat angles P-C4'-P energy: -84.222 tors. eta vs tors. theta energy: -40.642 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: 1 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1000.388847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.388847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.388847 (E_RNA) where: Base-Base interactions energy: -556.472 where: short stacking energy: -282.304 Base-Backbone interact. energy: -1.313 local terms energy: -442.603972 where: bonds (distance) C4'-P energy: -123.404 bonds (distance) P-C4' energy: -124.764 flat angles C4'-P-C4' energy: -116.931 flat angles P-C4'-P energy: -57.681 tors. eta vs tors. theta energy: -19.824 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: 1, replica: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2585.231942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.231942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.231942 (E_RNA) where: Base-Base interactions energy: -1734.428 where: short stacking energy: -793.170 Base-Backbone interact. energy: -1.605 local terms energy: -849.198988 where: bonds (distance) C4'-P energy: -155.424 bonds (distance) P-C4' energy: -174.596 flat angles C4'-P-C4' energy: -176.495 flat angles P-C4'-P energy: -122.460 tors. eta vs tors. theta energy: -220.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2455.767647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.767647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.767647 (E_RNA) where: Base-Base interactions energy: -1651.640 where: short stacking energy: -720.856 Base-Backbone interact. energy: -5.598 local terms energy: -798.529351 where: bonds (distance) C4'-P energy: -169.651 bonds (distance) P-C4' energy: -163.188 flat angles C4'-P-C4' energy: -168.334 flat angles P-C4'-P energy: -97.640 tors. eta vs tors. theta energy: -199.716 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: 38 Temperature: 1.000000 Total energy: -2334.865568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.865568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.865568 (E_RNA) where: Base-Base interactions energy: -1565.972 where: short stacking energy: -695.506 Base-Backbone interact. energy: -3.722 local terms energy: -765.171064 where: bonds (distance) C4'-P energy: -146.061 bonds (distance) P-C4' energy: -159.210 flat angles C4'-P-C4' energy: -165.561 flat angles P-C4'-P energy: -117.786 tors. eta vs tors. theta energy: -176.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2180.373332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.373332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.373332 (E_RNA) where: Base-Base interactions energy: -1438.601 where: short stacking energy: -674.505 Base-Backbone interact. energy: 0.692 local terms energy: -742.464927 where: bonds (distance) C4'-P energy: -154.557 bonds (distance) P-C4' energy: -144.753 flat angles C4'-P-C4' energy: -163.471 flat angles P-C4'-P energy: -107.659 tors. eta vs tors. theta energy: -172.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1841.320254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.320254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.320254 (E_RNA) where: Base-Base interactions energy: -1155.089 where: short stacking energy: -560.140 Base-Backbone interact. energy: -1.749 local terms energy: -684.482467 where: bonds (distance) C4'-P energy: -146.416 bonds (distance) P-C4' energy: -178.338 flat angles C4'-P-C4' energy: -156.638 flat angles P-C4'-P energy: -82.077 tors. eta vs tors. theta energy: -121.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1786.112684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.112684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.112684 (E_RNA) where: Base-Base interactions energy: -1132.465 where: short stacking energy: -553.541 Base-Backbone interact. energy: -1.729 local terms energy: -651.918121 where: bonds (distance) C4'-P energy: -141.096 bonds (distance) P-C4' energy: -143.732 flat angles C4'-P-C4' energy: -144.963 flat angles P-C4'-P energy: -98.948 tors. eta vs tors. theta energy: -123.179 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: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1546.073098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.073098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.073098 (E_RNA) where: Base-Base interactions energy: -945.195 where: short stacking energy: -453.356 Base-Backbone interact. energy: -2.778 local terms energy: -598.100276 where: bonds (distance) C4'-P energy: -156.516 bonds (distance) P-C4' energy: -150.487 flat angles C4'-P-C4' energy: -144.378 flat angles P-C4'-P energy: -76.975 tors. eta vs tors. theta energy: -69.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1338.308149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.308149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.308149 (E_RNA) where: Base-Base interactions energy: -767.230 where: short stacking energy: -377.720 Base-Backbone interact. energy: 2.810 local terms energy: -573.888915 where: bonds (distance) C4'-P energy: -156.448 bonds (distance) P-C4' energy: -142.327 flat angles C4'-P-C4' energy: -134.208 flat angles P-C4'-P energy: -91.911 tors. eta vs tors. theta energy: -48.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1145.903198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.903198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.903198 (E_RNA) where: Base-Base interactions energy: -620.187 where: short stacking energy: -317.746 Base-Backbone interact. energy: -4.724 local terms energy: -520.992188 where: bonds (distance) C4'-P energy: -153.101 bonds (distance) P-C4' energy: -137.504 flat angles C4'-P-C4' energy: -133.030 flat angles P-C4'-P energy: -70.624 tors. eta vs tors. theta energy: -26.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1014.013137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.013137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.013137 (E_RNA) where: Base-Base interactions energy: -527.373 where: short stacking energy: -282.955 Base-Backbone interact. energy: 0.249 local terms energy: -486.889133 where: bonds (distance) C4'-P energy: -131.237 bonds (distance) P-C4' energy: -155.434 flat angles C4'-P-C4' energy: -118.535 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: -20.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2574.961777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.961777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.961777 (E_RNA) where: Base-Base interactions energy: -1708.401 where: short stacking energy: -802.292 Base-Backbone interact. energy: -0.344 local terms energy: -866.217118 where: bonds (distance) C4'-P energy: -157.622 bonds (distance) P-C4' energy: -179.357 flat angles C4'-P-C4' energy: -193.238 flat angles P-C4'-P energy: -116.018 tors. eta vs tors. theta energy: -219.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2457.512512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.512512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.512512 (E_RNA) where: Base-Base interactions energy: -1659.229 where: short stacking energy: -773.189 Base-Backbone interact. energy: -3.719 local terms energy: -794.565357 where: bonds (distance) C4'-P energy: -153.199 bonds (distance) P-C4' energy: -155.248 flat angles C4'-P-C4' energy: -171.758 flat angles P-C4'-P energy: -106.228 tors. eta vs tors. theta energy: -208.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2277.617874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.617874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.617874 (E_RNA) where: Base-Base interactions energy: -1483.495 where: short stacking energy: -677.062 Base-Backbone interact. energy: 1.438 local terms energy: -795.561002 where: bonds (distance) C4'-P energy: -171.951 bonds (distance) P-C4' energy: -170.941 flat angles C4'-P-C4' energy: -183.450 flat angles P-C4'-P energy: -110.023 tors. eta vs tors. theta energy: -159.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2174.715717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.715717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.715717 (E_RNA) where: Base-Base interactions energy: -1411.913 where: short stacking energy: -686.598 Base-Backbone interact. energy: -1.992 local terms energy: -760.811085 where: bonds (distance) C4'-P energy: -134.882 bonds (distance) P-C4' energy: -159.026 flat angles C4'-P-C4' energy: -184.406 flat angles P-C4'-P energy: -115.517 tors. eta vs tors. theta energy: -166.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1863.978927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.978927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.978927 (E_RNA) where: Base-Base interactions energy: -1162.231 where: short stacking energy: -577.681 Base-Backbone interact. energy: 2.751 local terms energy: -704.499304 where: bonds (distance) C4'-P energy: -147.649 bonds (distance) P-C4' energy: -151.434 flat angles C4'-P-C4' energy: -161.697 flat angles P-C4'-P energy: -101.441 tors. eta vs tors. theta energy: -142.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1816.202243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.202243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.202243 (E_RNA) where: Base-Base interactions energy: -1130.228 where: short stacking energy: -537.615 Base-Backbone interact. energy: -0.696 local terms energy: -685.278542 where: bonds (distance) C4'-P energy: -145.223 bonds (distance) P-C4' energy: -152.039 flat angles C4'-P-C4' energy: -153.178 flat angles P-C4'-P energy: -107.433 tors. eta vs tors. theta energy: -127.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1603.220148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.220148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.220148 (E_RNA) where: Base-Base interactions energy: -984.815 where: short stacking energy: -488.612 Base-Backbone interact. energy: 1.156 local terms energy: -619.561432 where: bonds (distance) C4'-P energy: -136.094 bonds (distance) P-C4' energy: -158.082 flat angles C4'-P-C4' energy: -157.985 flat angles P-C4'-P energy: -93.038 tors. eta vs tors. theta energy: -74.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1242.898558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.898558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.898558 (E_RNA) where: Base-Base interactions energy: -698.817 where: short stacking energy: -424.027 Base-Backbone interact. energy: 3.747 local terms energy: -547.828311 where: bonds (distance) C4'-P energy: -118.033 bonds (distance) P-C4' energy: -137.283 flat angles C4'-P-C4' energy: -130.026 flat angles P-C4'-P energy: -89.673 tors. eta vs tors. theta energy: -72.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1136.313901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.313901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.313901 (E_RNA) where: Base-Base interactions energy: -663.317 where: short stacking energy: -340.246 Base-Backbone interact. energy: -0.107 local terms energy: -472.889472 where: bonds (distance) C4'-P energy: -117.417 bonds (distance) P-C4' energy: -120.447 flat angles C4'-P-C4' energy: -134.612 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: -33.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1021.889576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.889576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.889576 (E_RNA) where: Base-Base interactions energy: -510.261 where: short stacking energy: -284.538 Base-Backbone interact. energy: 0.548 local terms energy: -512.176814 where: bonds (distance) C4'-P energy: -137.180 bonds (distance) P-C4' energy: -169.697 flat angles C4'-P-C4' energy: -128.223 flat angles P-C4'-P energy: -75.502 tors. eta vs tors. theta energy: -1.575 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: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2572.922818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.922818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.922818 (E_RNA) where: Base-Base interactions energy: -1706.556 where: short stacking energy: -811.642 Base-Backbone interact. energy: -2.608 local terms energy: -863.758212 where: bonds (distance) C4'-P energy: -163.229 bonds (distance) P-C4' energy: -161.558 flat angles C4'-P-C4' energy: -191.744 flat angles P-C4'-P energy: -127.180 tors. eta vs tors. theta energy: -220.047 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: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2499.049079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.049079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.049079 (E_RNA) where: Base-Base interactions energy: -1712.319 where: short stacking energy: -777.691 Base-Backbone interact. energy: -0.951 local terms energy: -785.778625 where: bonds (distance) C4'-P energy: -147.913 bonds (distance) P-C4' energy: -153.021 flat angles C4'-P-C4' energy: -180.829 flat angles P-C4'-P energy: -106.689 tors. eta vs tors. theta energy: -197.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2342.976241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.976241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.976241 (E_RNA) where: Base-Base interactions energy: -1565.582 where: short stacking energy: -691.388 Base-Backbone interact. energy: -3.721 local terms energy: -773.673047 where: bonds (distance) C4'-P energy: -164.408 bonds (distance) P-C4' energy: -174.336 flat angles C4'-P-C4' energy: -177.176 flat angles P-C4'-P energy: -99.837 tors. eta vs tors. theta energy: -157.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2217.677907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.677907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.677907 (E_RNA) where: Base-Base interactions energy: -1485.236 where: short stacking energy: -688.993 Base-Backbone interact. energy: -4.476 local terms energy: -727.965386 where: bonds (distance) C4'-P energy: -152.838 bonds (distance) P-C4' energy: -160.413 flat angles C4'-P-C4' energy: -169.956 flat angles P-C4'-P energy: -84.872 tors. eta vs tors. theta energy: -159.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1853.390057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.390057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.390057 (E_RNA) where: Base-Base interactions energy: -1146.385 where: short stacking energy: -547.049 Base-Backbone interact. energy: -2.145 local terms energy: -704.859593 where: bonds (distance) C4'-P energy: -150.320 bonds (distance) P-C4' energy: -170.199 flat angles C4'-P-C4' energy: -161.016 flat angles P-C4'-P energy: -106.923 tors. eta vs tors. theta energy: -116.401 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: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1809.227726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.227726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.227726 (E_RNA) where: Base-Base interactions energy: -1128.390 where: short stacking energy: -538.451 Base-Backbone interact. energy: 4.788 local terms energy: -685.625376 where: bonds (distance) C4'-P energy: -151.565 bonds (distance) P-C4' energy: -159.888 flat angles C4'-P-C4' energy: -143.890 flat angles P-C4'-P energy: -107.937 tors. eta vs tors. theta energy: -122.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1644.495962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.495962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.495962 (E_RNA) where: Base-Base interactions energy: -1057.528 where: short stacking energy: -511.015 Base-Backbone interact. energy: -0.484 local terms energy: -586.483352 where: bonds (distance) C4'-P energy: -128.031 bonds (distance) P-C4' energy: -138.830 flat angles C4'-P-C4' energy: -143.639 flat angles P-C4'-P energy: -84.581 tors. eta vs tors. theta energy: -91.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1262.566731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.566731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.566731 (E_RNA) where: Base-Base interactions energy: -721.095 where: short stacking energy: -389.920 Base-Backbone interact. energy: -0.543 local terms energy: -540.929490 where: bonds (distance) C4'-P energy: -131.434 bonds (distance) P-C4' energy: -143.527 flat angles C4'-P-C4' energy: -132.190 flat angles P-C4'-P energy: -75.303 tors. eta vs tors. theta energy: -58.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1222.685679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.685679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.685679 (E_RNA) where: Base-Base interactions energy: -704.764 where: short stacking energy: -347.256 Base-Backbone interact. energy: -0.240 local terms energy: -517.681158 where: bonds (distance) C4'-P energy: -145.000 bonds (distance) P-C4' energy: -144.309 flat angles C4'-P-C4' energy: -111.869 flat angles P-C4'-P energy: -85.534 tors. eta vs tors. theta energy: -30.968 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: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1076.505116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.505116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.505116 (E_RNA) where: Base-Base interactions energy: -577.768 where: short stacking energy: -301.079 Base-Backbone interact. energy: 1.343 local terms energy: -500.080287 where: bonds (distance) C4'-P energy: -121.178 bonds (distance) P-C4' energy: -151.374 flat angles C4'-P-C4' energy: -130.296 flat angles P-C4'-P energy: -78.525 tors. eta vs tors. theta energy: -18.708 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: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2600.112209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.112209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.112209 (E_RNA) where: Base-Base interactions energy: -1722.691 where: short stacking energy: -825.782 Base-Backbone interact. energy: -0.565 local terms energy: -876.855655 where: bonds (distance) C4'-P energy: -170.736 bonds (distance) P-C4' energy: -187.674 flat angles C4'-P-C4' energy: -180.599 flat angles P-C4'-P energy: -123.718 tors. eta vs tors. theta energy: -214.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2475.551269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.551269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.551269 (E_RNA) where: Base-Base interactions energy: -1655.984 where: short stacking energy: -749.079 Base-Backbone interact. energy: 3.862 local terms energy: -823.429066 where: bonds (distance) C4'-P energy: -173.930 bonds (distance) P-C4' energy: -172.508 flat angles C4'-P-C4' energy: -177.436 flat angles P-C4'-P energy: -117.951 tors. eta vs tors. theta energy: -181.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2367.821785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.821785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.821785 (E_RNA) where: Base-Base interactions energy: -1583.266 where: short stacking energy: -724.305 Base-Backbone interact. energy: -2.401 local terms energy: -782.154726 where: bonds (distance) C4'-P energy: -153.270 bonds (distance) P-C4' energy: -175.970 flat angles C4'-P-C4' energy: -170.864 flat angles P-C4'-P energy: -114.260 tors. eta vs tors. theta energy: -167.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2172.859511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.859511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.859511 (E_RNA) where: Base-Base interactions energy: -1399.493 where: short stacking energy: -688.399 Base-Backbone interact. energy: -0.685 local terms energy: -772.681909 where: bonds (distance) C4'-P energy: -149.448 bonds (distance) P-C4' energy: -160.664 flat angles C4'-P-C4' energy: -180.576 flat angles P-C4'-P energy: -106.932 tors. eta vs tors. theta energy: -175.062 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: 41 Temperature: 1.100000 Total energy: -1862.767261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.767261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.767261 (E_RNA) where: Base-Base interactions energy: -1178.346 where: short stacking energy: -574.303 Base-Backbone interact. energy: 2.520 local terms energy: -686.940976 where: bonds (distance) C4'-P energy: -140.177 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -163.165 flat angles P-C4'-P energy: -90.003 tors. eta vs tors. theta energy: -135.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1799.725778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.725778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.725778 (E_RNA) where: Base-Base interactions energy: -1124.700 where: short stacking energy: -560.409 Base-Backbone interact. energy: -1.185 local terms energy: -673.841151 where: bonds (distance) C4'-P energy: -135.536 bonds (distance) P-C4' energy: -153.282 flat angles C4'-P-C4' energy: -172.600 flat angles P-C4'-P energy: -92.432 tors. eta vs tors. theta energy: -119.991 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: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1602.535283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.535283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.535283 (E_RNA) where: Base-Base interactions energy: -1012.599 where: short stacking energy: -414.718 Base-Backbone interact. energy: 0.569 local terms energy: -590.505174 where: bonds (distance) C4'-P energy: -137.615 bonds (distance) P-C4' energy: -157.530 flat angles C4'-P-C4' energy: -134.724 flat angles P-C4'-P energy: -91.145 tors. eta vs tors. theta energy: -69.491 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: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1205.725271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.725271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.725271 (E_RNA) where: Base-Base interactions energy: -682.728 where: short stacking energy: -344.264 Base-Backbone interact. energy: -0.077 local terms energy: -522.920531 where: bonds (distance) C4'-P energy: -133.276 bonds (distance) P-C4' energy: -134.325 flat angles C4'-P-C4' energy: -144.335 flat angles P-C4'-P energy: -75.920 tors. eta vs tors. theta energy: -35.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1231.357093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.357093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.357093 (E_RNA) where: Base-Base interactions energy: -729.079 where: short stacking energy: -368.927 Base-Backbone interact. energy: 1.969 local terms energy: -504.247265 where: bonds (distance) C4'-P energy: -138.641 bonds (distance) P-C4' energy: -129.346 flat angles C4'-P-C4' energy: -128.178 flat angles P-C4'-P energy: -55.518 tors. eta vs tors. theta energy: -52.565 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: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1063.550150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.550150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.550150 (E_RNA) where: Base-Base interactions energy: -598.121 where: short stacking energy: -301.010 Base-Backbone interact. energy: 2.716 local terms energy: -468.145157 where: bonds (distance) C4'-P energy: -124.189 bonds (distance) P-C4' energy: -151.077 flat angles C4'-P-C4' energy: -131.544 flat angles P-C4'-P energy: -52.165 tors. eta vs tors. theta energy: -9.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2580.478622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.478622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.478622 (E_RNA) where: Base-Base interactions energy: -1712.937 where: short stacking energy: -752.517 Base-Backbone interact. energy: 0.707 local terms energy: -868.248290 where: bonds (distance) C4'-P energy: -164.140 bonds (distance) P-C4' energy: -186.700 flat angles C4'-P-C4' energy: -185.515 flat angles P-C4'-P energy: -135.548 tors. eta vs tors. theta energy: -196.345 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: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2512.526096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.526096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.526096 (E_RNA) where: Base-Base interactions energy: -1684.843 where: short stacking energy: -792.023 Base-Backbone interact. energy: -2.768 local terms energy: -824.915030 where: bonds (distance) C4'-P energy: -168.855 bonds (distance) P-C4' energy: -160.260 flat angles C4'-P-C4' energy: -181.988 flat angles P-C4'-P energy: -108.884 tors. eta vs tors. theta energy: -204.928 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: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2334.526368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.526368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.526368 (E_RNA) where: Base-Base interactions energy: -1568.341 where: short stacking energy: -686.914 Base-Backbone interact. energy: -3.588 local terms energy: -762.596839 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -151.550 flat angles C4'-P-C4' energy: -165.280 flat angles P-C4'-P energy: -119.255 tors. eta vs tors. theta energy: -177.521 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: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2166.925031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.925031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.925031 (E_RNA) where: Base-Base interactions energy: -1409.076 where: short stacking energy: -678.383 Base-Backbone interact. energy: -1.116 local terms energy: -756.733383 where: bonds (distance) C4'-P energy: -136.522 bonds (distance) P-C4' energy: -168.787 flat angles C4'-P-C4' energy: -181.790 flat angles P-C4'-P energy: -99.807 tors. eta vs tors. theta energy: -169.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1939.742016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.742016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.742016 (E_RNA) where: Base-Base interactions energy: -1210.056 where: short stacking energy: -598.381 Base-Backbone interact. energy: -4.201 local terms energy: -725.485491 where: bonds (distance) C4'-P energy: -148.942 bonds (distance) P-C4' energy: -169.526 flat angles C4'-P-C4' energy: -152.043 flat angles P-C4'-P energy: -109.120 tors. eta vs tors. theta energy: -145.854 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: 3 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1866.508990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.508990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.508990 (E_RNA) where: Base-Base interactions energy: -1173.756 where: short stacking energy: -555.308 Base-Backbone interact. energy: -0.179 local terms energy: -692.573125 where: bonds (distance) C4'-P energy: -153.849 bonds (distance) P-C4' energy: -148.796 flat angles C4'-P-C4' energy: -164.432 flat angles P-C4'-P energy: -103.135 tors. eta vs tors. theta energy: -122.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1707.884133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.884133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.884133 (E_RNA) where: Base-Base interactions energy: -1080.812 where: short stacking energy: -495.924 Base-Backbone interact. energy: -5.562 local terms energy: -621.510919 where: bonds (distance) C4'-P energy: -151.718 bonds (distance) P-C4' energy: -151.787 flat angles C4'-P-C4' energy: -143.480 flat angles P-C4'-P energy: -88.684 tors. eta vs tors. theta energy: -85.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1253.382718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.382718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.382718 (E_RNA) where: Base-Base interactions energy: -695.103 where: short stacking energy: -372.432 Base-Backbone interact. energy: -0.785 local terms energy: -557.494492 where: bonds (distance) C4'-P energy: -140.383 bonds (distance) P-C4' energy: -145.805 flat angles C4'-P-C4' energy: -151.411 flat angles P-C4'-P energy: -78.647 tors. eta vs tors. theta energy: -41.248 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: 42 Temperature: 1.300000 Total energy: -1285.198908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.198908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.198908 (E_RNA) where: Base-Base interactions energy: -765.407 where: short stacking energy: -375.637 Base-Backbone interact. energy: -4.540 local terms energy: -515.251818 where: bonds (distance) C4'-P energy: -128.074 bonds (distance) P-C4' energy: -145.681 flat angles C4'-P-C4' energy: -122.807 flat angles P-C4'-P energy: -71.651 tors. eta vs tors. theta energy: -47.039 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: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1100.844914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.844914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.844914 (E_RNA) where: Base-Base interactions energy: -620.713 where: short stacking energy: -304.262 Base-Backbone interact. energy: 1.497 local terms energy: -481.629711 where: bonds (distance) C4'-P energy: -146.585 bonds (distance) P-C4' energy: -133.666 flat angles C4'-P-C4' energy: -93.627 flat angles P-C4'-P energy: -68.656 tors. eta vs tors. theta energy: -39.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2601.104013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.104013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.104013 (E_RNA) where: Base-Base interactions energy: -1767.985 where: short stacking energy: -780.752 Base-Backbone interact. energy: -4.338 local terms energy: -828.781229 where: bonds (distance) C4'-P energy: -155.417 bonds (distance) P-C4' energy: -171.740 flat angles C4'-P-C4' energy: -186.631 flat angles P-C4'-P energy: -121.016 tors. eta vs tors. theta energy: -193.976 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: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2468.776851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.776851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.776851 (E_RNA) where: Base-Base interactions energy: -1634.160 where: short stacking energy: -768.718 Base-Backbone interact. energy: -2.825 local terms energy: -831.792589 where: bonds (distance) C4'-P energy: -160.564 bonds (distance) P-C4' energy: -174.855 flat angles C4'-P-C4' energy: -175.491 flat angles P-C4'-P energy: -114.928 tors. eta vs tors. theta energy: -205.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2318.514723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.514723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.514723 (E_RNA) where: Base-Base interactions energy: -1559.709 where: short stacking energy: -704.038 Base-Backbone interact. energy: -2.318 local terms energy: -756.487639 where: bonds (distance) C4'-P energy: -149.392 bonds (distance) P-C4' energy: -161.848 flat angles C4'-P-C4' energy: -166.251 flat angles P-C4'-P energy: -105.388 tors. eta vs tors. theta energy: -173.609 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: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2114.743496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.743496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.743496 (E_RNA) where: Base-Base interactions energy: -1370.592 where: short stacking energy: -662.012 Base-Backbone interact. energy: 0.497 local terms energy: -744.648502 where: bonds (distance) C4'-P energy: -153.906 bonds (distance) P-C4' energy: -150.146 flat angles C4'-P-C4' energy: -169.923 flat angles P-C4'-P energy: -117.339 tors. eta vs tors. theta energy: -153.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1891.906734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.906734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.906734 (E_RNA) where: Base-Base interactions energy: -1203.854 where: short stacking energy: -589.738 Base-Backbone interact. energy: -2.275 local terms energy: -685.777276 where: bonds (distance) C4'-P energy: -146.913 bonds (distance) P-C4' energy: -152.158 flat angles C4'-P-C4' energy: -147.098 flat angles P-C4'-P energy: -99.446 tors. eta vs tors. theta energy: -140.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1944.766275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.766275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.766275 (E_RNA) where: Base-Base interactions energy: -1258.839 where: short stacking energy: -589.938 Base-Backbone interact. energy: -0.621 local terms energy: -685.306735 where: bonds (distance) C4'-P energy: -155.706 bonds (distance) P-C4' energy: -154.257 flat angles C4'-P-C4' energy: -136.466 flat angles P-C4'-P energy: -98.909 tors. eta vs tors. theta energy: -139.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1674.579309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.579309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.579309 (E_RNA) where: Base-Base interactions energy: -1091.476 where: short stacking energy: -513.087 Base-Backbone interact. energy: 4.566 local terms energy: -587.669696 where: bonds (distance) C4'-P energy: -130.223 bonds (distance) P-C4' energy: -137.949 flat angles C4'-P-C4' energy: -155.491 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -88.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1351.983089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.983089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.983089 (E_RNA) where: Base-Base interactions energy: -812.598 where: short stacking energy: -417.251 Base-Backbone interact. energy: 3.614 local terms energy: -542.999620 where: bonds (distance) C4'-P energy: -123.207 bonds (distance) P-C4' energy: -122.111 flat angles C4'-P-C4' energy: -147.703 flat angles P-C4'-P energy: -99.024 tors. eta vs tors. theta energy: -50.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1146.959679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.959679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.959679 (E_RNA) where: Base-Base interactions energy: -634.988 where: short stacking energy: -350.995 Base-Backbone interact. energy: 0.779 local terms energy: -512.750554 where: bonds (distance) C4'-P energy: -125.377 bonds (distance) P-C4' energy: -141.271 flat angles C4'-P-C4' energy: -147.874 flat angles P-C4'-P energy: -68.999 tors. eta vs tors. theta energy: -29.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1033.731977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.731977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.731977 (E_RNA) where: Base-Base interactions energy: -567.669 where: short stacking energy: -307.944 Base-Backbone interact. energy: 0.357 local terms energy: -466.420814 where: bonds (distance) C4'-P energy: -138.397 bonds (distance) P-C4' energy: -138.542 flat angles C4'-P-C4' energy: -121.062 flat angles P-C4'-P energy: -55.705 tors. eta vs tors. theta energy: -12.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2589.702677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.702677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.702677 (E_RNA) where: Base-Base interactions energy: -1757.332 where: short stacking energy: -796.138 Base-Backbone interact. energy: -0.911 local terms energy: -831.459332 where: bonds (distance) C4'-P energy: -159.852 bonds (distance) P-C4' energy: -171.431 flat angles C4'-P-C4' energy: -186.986 flat angles P-C4'-P energy: -108.084 tors. eta vs tors. theta energy: -205.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2474.796166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.796166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.796166 (E_RNA) where: Base-Base interactions energy: -1658.736 where: short stacking energy: -766.754 Base-Backbone interact. energy: -4.307 local terms energy: -811.752839 where: bonds (distance) C4'-P energy: -147.315 bonds (distance) P-C4' energy: -156.897 flat angles C4'-P-C4' energy: -176.867 flat angles P-C4'-P energy: -127.471 tors. eta vs tors. theta energy: -203.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2394.638595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.638595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.638595 (E_RNA) where: Base-Base interactions energy: -1597.750 where: short stacking energy: -688.027 Base-Backbone interact. energy: -2.326 local terms energy: -794.562461 where: bonds (distance) C4'-P energy: -153.879 bonds (distance) P-C4' energy: -174.159 flat angles C4'-P-C4' energy: -172.610 flat angles P-C4'-P energy: -121.140 tors. eta vs tors. theta energy: -172.774 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: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2158.511830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.511830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.511830 (E_RNA) where: Base-Base interactions energy: -1411.287 where: short stacking energy: -674.234 Base-Backbone interact. energy: -3.141 local terms energy: -744.083840 where: bonds (distance) C4'-P energy: -163.354 bonds (distance) P-C4' energy: -154.888 flat angles C4'-P-C4' energy: -160.521 flat angles P-C4'-P energy: -113.302 tors. eta vs tors. theta energy: -152.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2027.294196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.294196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.294196 (E_RNA) where: Base-Base interactions energy: -1325.287 where: short stacking energy: -641.065 Base-Backbone interact. energy: -0.451 local terms energy: -701.556136 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -151.888 flat angles C4'-P-C4' energy: -155.495 flat angles P-C4'-P energy: -108.503 tors. eta vs tors. theta energy: -152.913 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: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1821.785540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.785540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.785540 (E_RNA) where: Base-Base interactions energy: -1178.147 where: short stacking energy: -574.189 Base-Backbone interact. energy: 1.087 local terms energy: -644.725778 where: bonds (distance) C4'-P energy: -132.770 bonds (distance) P-C4' energy: -139.909 flat angles C4'-P-C4' energy: -142.790 flat angles P-C4'-P energy: -110.188 tors. eta vs tors. theta energy: -119.069 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: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1692.555140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.555140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.555140 (E_RNA) where: Base-Base interactions energy: -1060.780 where: short stacking energy: -548.595 Base-Backbone interact. energy: 1.520 local terms energy: -633.295177 where: bonds (distance) C4'-P energy: -146.202 bonds (distance) P-C4' energy: -140.947 flat angles C4'-P-C4' energy: -152.033 flat angles P-C4'-P energy: -87.051 tors. eta vs tors. theta energy: -107.061 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: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1417.703234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.703234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.703234 (E_RNA) where: Base-Base interactions energy: -875.753 where: short stacking energy: -398.260 Base-Backbone interact. energy: 2.006 local terms energy: -543.956043 where: bonds (distance) C4'-P energy: -136.820 bonds (distance) P-C4' energy: -146.963 flat angles C4'-P-C4' energy: -136.390 flat angles P-C4'-P energy: -55.085 tors. eta vs tors. theta energy: -68.698 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: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1115.943445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.943445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.943445 (E_RNA) where: Base-Base interactions energy: -609.262 where: short stacking energy: -352.924 Base-Backbone interact. energy: 7.106 local terms energy: -513.787490 where: bonds (distance) C4'-P energy: -128.718 bonds (distance) P-C4' energy: -146.787 flat angles C4'-P-C4' energy: -133.526 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: -42.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1009.773155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.773155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.773155 (E_RNA) where: Base-Base interactions energy: -538.794 where: short stacking energy: -286.797 Base-Backbone interact. energy: 0.935 local terms energy: -471.914689 where: bonds (distance) C4'-P energy: -127.514 bonds (distance) P-C4' energy: -139.235 flat angles C4'-P-C4' energy: -117.501 flat angles P-C4'-P energy: -78.095 tors. eta vs tors. theta energy: -9.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2623.741418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.741418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.741418 (E_RNA) where: Base-Base interactions energy: -1756.084 where: short stacking energy: -770.804 Base-Backbone interact. energy: -3.094 local terms energy: -864.563762 where: bonds (distance) C4'-P energy: -165.166 bonds (distance) P-C4' energy: -182.605 flat angles C4'-P-C4' energy: -197.106 flat angles P-C4'-P energy: -114.170 tors. eta vs tors. theta energy: -205.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2499.167332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.167332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.167332 (E_RNA) where: Base-Base interactions energy: -1652.248 where: short stacking energy: -775.757 Base-Backbone interact. energy: -4.890 local terms energy: -842.028830 where: bonds (distance) C4'-P energy: -169.599 bonds (distance) P-C4' energy: -157.982 flat angles C4'-P-C4' energy: -181.125 flat angles P-C4'-P energy: -123.751 tors. eta vs tors. theta energy: -209.572 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: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2410.190832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.190832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.190832 (E_RNA) where: Base-Base interactions energy: -1620.066 where: short stacking energy: -693.647 Base-Backbone interact. energy: -0.439 local terms energy: -789.685767 where: bonds (distance) C4'-P energy: -146.320 bonds (distance) P-C4' energy: -172.464 flat angles C4'-P-C4' energy: -170.869 flat angles P-C4'-P energy: -124.582 tors. eta vs tors. theta energy: -175.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2248.429994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.429994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.429994 (E_RNA) where: Base-Base interactions energy: -1493.558 where: short stacking energy: -681.858 Base-Backbone interact. energy: 2.969 local terms energy: -757.841604 where: bonds (distance) C4'-P energy: -152.137 bonds (distance) P-C4' energy: -173.236 flat angles C4'-P-C4' energy: -168.067 flat angles P-C4'-P energy: -99.482 tors. eta vs tors. theta energy: -164.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2013.782066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.782066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.782066 (E_RNA) where: Base-Base interactions energy: -1291.480 where: short stacking energy: -590.227 Base-Backbone interact. energy: -0.673 local terms energy: -721.628922 where: bonds (distance) C4'-P energy: -151.261 bonds (distance) P-C4' energy: -151.546 flat angles C4'-P-C4' energy: -165.724 flat angles P-C4'-P energy: -110.186 tors. eta vs tors. theta energy: -142.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1902.477655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.477655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.477655 (E_RNA) where: Base-Base interactions energy: -1222.523 where: short stacking energy: -566.698 Base-Backbone interact. energy: 1.614 local terms energy: -681.568854 where: bonds (distance) C4'-P energy: -144.964 bonds (distance) P-C4' energy: -162.038 flat angles C4'-P-C4' energy: -157.032 flat angles P-C4'-P energy: -87.101 tors. eta vs tors. theta energy: -130.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1698.202089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.202089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.202089 (E_RNA) where: Base-Base interactions energy: -1099.955 where: short stacking energy: -507.641 Base-Backbone interact. energy: 0.478 local terms energy: -598.725015 where: bonds (distance) C4'-P energy: -133.103 bonds (distance) P-C4' energy: -139.645 flat angles C4'-P-C4' energy: -147.086 flat angles P-C4'-P energy: -76.822 tors. eta vs tors. theta energy: -102.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1415.460163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.460163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.460163 (E_RNA) where: Base-Base interactions energy: -855.796 where: short stacking energy: -394.215 Base-Backbone interact. energy: -3.495 local terms energy: -556.169451 where: bonds (distance) C4'-P energy: -160.827 bonds (distance) P-C4' energy: -129.391 flat angles C4'-P-C4' energy: -135.366 flat angles P-C4'-P energy: -88.327 tors. eta vs tors. theta energy: -42.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1112.992339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.992339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.992339 (E_RNA) where: Base-Base interactions energy: -606.172 where: short stacking energy: -328.756 Base-Backbone interact. energy: 0.615 local terms energy: -507.435650 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -148.905 flat angles C4'-P-C4' energy: -128.740 flat angles P-C4'-P energy: -67.645 tors. eta vs tors. theta energy: -38.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1076.611169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.611169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.611169 (E_RNA) where: Base-Base interactions energy: -584.790 where: short stacking energy: -310.912 Base-Backbone interact. energy: -2.458 local terms energy: -489.362913 where: bonds (distance) C4'-P energy: -113.688 bonds (distance) P-C4' energy: -156.660 flat angles C4'-P-C4' energy: -124.703 flat angles P-C4'-P energy: -66.914 tors. eta vs tors. theta energy: -27.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2596.973940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.973940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.973940 (E_RNA) where: Base-Base interactions energy: -1745.517 where: short stacking energy: -814.050 Base-Backbone interact. energy: -3.330 local terms energy: -848.127708 where: bonds (distance) C4'-P energy: -156.634 bonds (distance) P-C4' energy: -168.430 flat angles C4'-P-C4' energy: -180.612 flat angles P-C4'-P energy: -125.210 tors. eta vs tors. theta energy: -217.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2540.198713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.198713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.198713 (E_RNA) where: Base-Base interactions energy: -1689.626 where: short stacking energy: -736.167 Base-Backbone interact. energy: -4.946 local terms energy: -845.627011 where: bonds (distance) C4'-P energy: -172.591 bonds (distance) P-C4' energy: -172.856 flat angles C4'-P-C4' energy: -188.491 flat angles P-C4'-P energy: -106.358 tors. eta vs tors. theta energy: -205.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2367.702825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.702825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.702825 (E_RNA) where: Base-Base interactions energy: -1597.971 where: short stacking energy: -683.191 Base-Backbone interact. energy: -0.057 local terms energy: -769.673937 where: bonds (distance) C4'-P energy: -150.510 bonds (distance) P-C4' energy: -173.042 flat angles C4'-P-C4' energy: -174.142 flat angles P-C4'-P energy: -114.442 tors. eta vs tors. theta energy: -157.538 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: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2211.114312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.114312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.114312 (E_RNA) where: Base-Base interactions energy: -1431.801 where: short stacking energy: -664.327 Base-Backbone interact. energy: -0.041 local terms energy: -779.271567 where: bonds (distance) C4'-P energy: -161.389 bonds (distance) P-C4' energy: -162.388 flat angles C4'-P-C4' energy: -179.468 flat angles P-C4'-P energy: -116.626 tors. eta vs tors. theta energy: -159.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1960.776407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.776407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.776407 (E_RNA) where: Base-Base interactions energy: -1251.611 where: short stacking energy: -603.629 Base-Backbone interact. energy: -2.123 local terms energy: -707.042211 where: bonds (distance) C4'-P energy: -138.279 bonds (distance) P-C4' energy: -153.351 flat angles C4'-P-C4' energy: -160.512 flat angles P-C4'-P energy: -106.031 tors. eta vs tors. theta energy: -148.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1904.197523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.197523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.197523 (E_RNA) where: Base-Base interactions energy: -1230.333 where: short stacking energy: -560.250 Base-Backbone interact. energy: -3.897 local terms energy: -669.967342 where: bonds (distance) C4'-P energy: -140.912 bonds (distance) P-C4' energy: -142.192 flat angles C4'-P-C4' energy: -152.776 flat angles P-C4'-P energy: -106.219 tors. eta vs tors. theta energy: -127.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1738.538858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.538858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.538858 (E_RNA) where: Base-Base interactions energy: -1116.784 where: short stacking energy: -553.355 Base-Backbone interact. energy: 6.052 local terms energy: -627.806966 where: bonds (distance) C4'-P energy: -146.168 bonds (distance) P-C4' energy: -123.843 flat angles C4'-P-C4' energy: -163.389 flat angles P-C4'-P energy: -84.783 tors. eta vs tors. theta energy: -109.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1419.725110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.725110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.725110 (E_RNA) where: Base-Base interactions energy: -849.502 where: short stacking energy: -425.880 Base-Backbone interact. energy: 1.694 local terms energy: -571.916765 where: bonds (distance) C4'-P energy: -123.138 bonds (distance) P-C4' energy: -175.111 flat angles C4'-P-C4' energy: -139.268 flat angles P-C4'-P energy: -77.490 tors. eta vs tors. theta energy: -56.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1115.896378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.896378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.896378 (E_RNA) where: Base-Base interactions energy: -653.012 where: short stacking energy: -328.385 Base-Backbone interact. energy: -3.390 local terms energy: -459.494263 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -115.633 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -59.279 tors. eta vs tors. theta energy: -36.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -928.759972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.759972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.759972 (E_RNA) where: Base-Base interactions energy: -406.342 where: short stacking energy: -226.093 Base-Backbone interact. energy: -4.258 local terms energy: -518.160330 where: bonds (distance) C4'-P energy: -152.798 bonds (distance) P-C4' energy: -147.145 flat angles C4'-P-C4' energy: -138.835 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2624.278436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.278436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.278436 (E_RNA) where: Base-Base interactions energy: -1741.045 where: short stacking energy: -795.011 Base-Backbone interact. energy: -4.096 local terms energy: -879.137650 where: bonds (distance) C4'-P energy: -171.108 bonds (distance) P-C4' energy: -179.042 flat angles C4'-P-C4' energy: -190.116 flat angles P-C4'-P energy: -118.332 tors. eta vs tors. theta energy: -220.540 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: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2493.903540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.903540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.903540 (E_RNA) where: Base-Base interactions energy: -1675.423 where: short stacking energy: -750.207 Base-Backbone interact. energy: -2.137 local terms energy: -816.343166 where: bonds (distance) C4'-P energy: -163.466 bonds (distance) P-C4' energy: -174.797 flat angles C4'-P-C4' energy: -177.924 flat angles P-C4'-P energy: -121.410 tors. eta vs tors. theta energy: -178.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2413.764933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.764933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.764933 (E_RNA) where: Base-Base interactions energy: -1631.504 where: short stacking energy: -729.476 Base-Backbone interact. energy: -3.188 local terms energy: -779.072450 where: bonds (distance) C4'-P energy: -159.793 bonds (distance) P-C4' energy: -147.383 flat angles C4'-P-C4' energy: -178.152 flat angles P-C4'-P energy: -115.364 tors. eta vs tors. theta energy: -178.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2185.790107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.790107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.790107 (E_RNA) where: Base-Base interactions energy: -1460.384 where: short stacking energy: -631.685 Base-Backbone interact. energy: -3.876 local terms energy: -721.530185 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -148.773 flat angles C4'-P-C4' energy: -166.815 flat angles P-C4'-P energy: -102.011 tors. eta vs tors. theta energy: -156.979 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: 47 Temperature: 1.100000 Total energy: -1957.572673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.572673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.572673 (E_RNA) where: Base-Base interactions energy: -1269.156 where: short stacking energy: -572.498 Base-Backbone interact. energy: -2.763 local terms energy: -685.654012 where: bonds (distance) C4'-P energy: -146.386 bonds (distance) P-C4' energy: -154.823 flat angles C4'-P-C4' energy: -161.352 flat angles P-C4'-P energy: -102.022 tors. eta vs tors. theta energy: -121.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1967.742157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.742157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.742157 (E_RNA) where: Base-Base interactions energy: -1274.745 where: short stacking energy: -564.623 Base-Backbone interact. energy: 0.558 local terms energy: -693.554598 where: bonds (distance) C4'-P energy: -137.833 bonds (distance) P-C4' energy: -151.903 flat angles C4'-P-C4' energy: -159.376 flat angles P-C4'-P energy: -97.828 tors. eta vs tors. theta energy: -146.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1769.844396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.844396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.844396 (E_RNA) where: Base-Base interactions energy: -1136.340 where: short stacking energy: -541.781 Base-Backbone interact. energy: -2.814 local terms energy: -630.690670 where: bonds (distance) C4'-P energy: -135.439 bonds (distance) P-C4' energy: -145.003 flat angles C4'-P-C4' energy: -140.807 flat angles P-C4'-P energy: -96.743 tors. eta vs tors. theta energy: -112.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1331.928725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.928725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.928725 (E_RNA) where: Base-Base interactions energy: -771.263 where: short stacking energy: -378.792 Base-Backbone interact. energy: -1.746 local terms energy: -558.919305 where: bonds (distance) C4'-P energy: -145.738 bonds (distance) P-C4' energy: -155.228 flat angles C4'-P-C4' energy: -136.691 flat angles P-C4'-P energy: -89.584 tors. eta vs tors. theta energy: -31.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1055.980659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.980659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.980659 (E_RNA) where: Base-Base interactions energy: -583.323 where: short stacking energy: -327.575 Base-Backbone interact. energy: -1.556 local terms energy: -471.101882 where: bonds (distance) C4'-P energy: -107.462 bonds (distance) P-C4' energy: -124.785 flat angles C4'-P-C4' energy: -133.191 flat angles P-C4'-P energy: -76.445 tors. eta vs tors. theta energy: -29.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -947.911042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.911042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.911042 (E_RNA) where: Base-Base interactions energy: -493.611 where: short stacking energy: -280.867 Base-Backbone interact. energy: 0.726 local terms energy: -455.025619 where: bonds (distance) C4'-P energy: -135.315 bonds (distance) P-C4' energy: -146.830 flat angles C4'-P-C4' energy: -93.914 flat angles P-C4'-P energy: -67.950 tors. eta vs tors. theta energy: -11.017 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: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2544.385296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.385296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.385296 (E_RNA) where: Base-Base interactions energy: -1696.992 where: short stacking energy: -783.569 Base-Backbone interact. energy: -3.840 local terms energy: -843.552954 where: bonds (distance) C4'-P energy: -164.082 bonds (distance) P-C4' energy: -165.747 flat angles C4'-P-C4' energy: -179.452 flat angles P-C4'-P energy: -122.052 tors. eta vs tors. theta energy: -212.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2518.132679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.132679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.132679 (E_RNA) where: Base-Base interactions energy: -1716.955 where: short stacking energy: -791.575 Base-Backbone interact. energy: 2.170 local terms energy: -803.348366 where: bonds (distance) C4'-P energy: -148.445 bonds (distance) P-C4' energy: -145.157 flat angles C4'-P-C4' energy: -188.232 flat angles P-C4'-P energy: -119.395 tors. eta vs tors. theta energy: -202.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2380.335953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.335953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.335953 (E_RNA) where: Base-Base interactions energy: -1633.849 where: short stacking energy: -696.342 Base-Backbone interact. energy: -2.985 local terms energy: -743.501876 where: bonds (distance) C4'-P energy: -139.043 bonds (distance) P-C4' energy: -170.571 flat angles C4'-P-C4' energy: -156.158 flat angles P-C4'-P energy: -117.938 tors. eta vs tors. theta energy: -159.791 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: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2184.255728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.255728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.255728 (E_RNA) where: Base-Base interactions energy: -1420.330 where: short stacking energy: -652.627 Base-Backbone interact. energy: -0.507 local terms energy: -763.418612 where: bonds (distance) C4'-P energy: -158.045 bonds (distance) P-C4' energy: -155.702 flat angles C4'-P-C4' energy: -172.707 flat angles P-C4'-P energy: -112.396 tors. eta vs tors. theta energy: -164.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2030.722585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.722585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.722585 (E_RNA) where: Base-Base interactions energy: -1313.518 where: short stacking energy: -589.450 Base-Backbone interact. energy: -3.390 local terms energy: -713.814801 where: bonds (distance) C4'-P energy: -150.990 bonds (distance) P-C4' energy: -147.588 flat angles C4'-P-C4' energy: -158.816 flat angles P-C4'-P energy: -116.204 tors. eta vs tors. theta energy: -140.218 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: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2001.540840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.540840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.540840 (E_RNA) where: Base-Base interactions energy: -1282.542 where: short stacking energy: -621.685 Base-Backbone interact. energy: -0.031 local terms energy: -718.968407 where: bonds (distance) C4'-P energy: -130.696 bonds (distance) P-C4' energy: -158.535 flat angles C4'-P-C4' energy: -166.565 flat angles P-C4'-P energy: -105.972 tors. eta vs tors. theta energy: -157.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1709.276608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.276608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.276608 (E_RNA) where: Base-Base interactions energy: -1114.282 where: short stacking energy: -515.171 Base-Backbone interact. energy: 1.459 local terms energy: -596.453633 where: bonds (distance) C4'-P energy: -141.210 bonds (distance) P-C4' energy: -137.285 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -84.599 tors. eta vs tors. theta energy: -96.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1449.433607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.433607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.433607 (E_RNA) where: Base-Base interactions energy: -910.804 where: short stacking energy: -409.694 Base-Backbone interact. energy: 0.082 local terms energy: -538.710899 where: bonds (distance) C4'-P energy: -134.315 bonds (distance) P-C4' energy: -152.720 flat angles C4'-P-C4' energy: -123.602 flat angles P-C4'-P energy: -82.722 tors. eta vs tors. theta energy: -45.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1016.632202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.632202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.632202 (E_RNA) where: Base-Base interactions energy: -567.098 where: short stacking energy: -291.139 Base-Backbone interact. energy: 3.227 local terms energy: -452.760752 where: bonds (distance) C4'-P energy: -131.749 bonds (distance) P-C4' energy: -124.350 flat angles C4'-P-C4' energy: -110.732 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -11.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -965.927008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.927008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.927008 (E_RNA) where: Base-Base interactions energy: -520.692 where: short stacking energy: -253.841 Base-Backbone interact. energy: -2.612 local terms energy: -442.623132 where: bonds (distance) C4'-P energy: -98.134 bonds (distance) P-C4' energy: -143.985 flat angles C4'-P-C4' energy: -129.341 flat angles P-C4'-P energy: -59.161 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2578.905714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.905714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.905714 (E_RNA) where: Base-Base interactions energy: -1701.826 where: short stacking energy: -792.633 Base-Backbone interact. energy: -1.716 local terms energy: -875.364306 where: bonds (distance) C4'-P energy: -170.575 bonds (distance) P-C4' energy: -180.800 flat angles C4'-P-C4' energy: -190.872 flat angles P-C4'-P energy: -116.580 tors. eta vs tors. theta energy: -216.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2581.895233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.895233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.895233 (E_RNA) where: Base-Base interactions energy: -1743.263 where: short stacking energy: -799.098 Base-Backbone interact. energy: -4.467 local terms energy: -834.165036 where: bonds (distance) C4'-P energy: -152.304 bonds (distance) P-C4' energy: -168.132 flat angles C4'-P-C4' energy: -202.000 flat angles P-C4'-P energy: -103.705 tors. eta vs tors. theta energy: -208.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2370.033492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.033492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.033492 (E_RNA) where: Base-Base interactions energy: -1633.249 where: short stacking energy: -705.100 Base-Backbone interact. energy: 0.291 local terms energy: -737.075317 where: bonds (distance) C4'-P energy: -136.816 bonds (distance) P-C4' energy: -152.835 flat angles C4'-P-C4' energy: -179.805 flat angles P-C4'-P energy: -112.481 tors. eta vs tors. theta energy: -155.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2193.414872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.414872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.414872 (E_RNA) where: Base-Base interactions energy: -1433.978 where: short stacking energy: -678.777 Base-Backbone interact. energy: -4.404 local terms energy: -755.032493 where: bonds (distance) C4'-P energy: -150.602 bonds (distance) P-C4' energy: -158.914 flat angles C4'-P-C4' energy: -175.716 flat angles P-C4'-P energy: -101.521 tors. eta vs tors. theta energy: -168.280 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: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1945.523438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.523438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.523438 (E_RNA) where: Base-Base interactions energy: -1212.718 where: short stacking energy: -569.375 Base-Backbone interact. energy: -1.589 local terms energy: -731.217009 where: bonds (distance) C4'-P energy: -158.286 bonds (distance) P-C4' energy: -161.563 flat angles C4'-P-C4' energy: -177.241 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -136.125 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: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1915.017202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.017202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.017202 (E_RNA) where: Base-Base interactions energy: -1227.327 where: short stacking energy: -552.811 Base-Backbone interact. energy: -0.929 local terms energy: -686.760823 where: bonds (distance) C4'-P energy: -144.908 bonds (distance) P-C4' energy: -157.961 flat angles C4'-P-C4' energy: -153.607 flat angles P-C4'-P energy: -99.817 tors. eta vs tors. theta energy: -130.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1733.287242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.287242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.287242 (E_RNA) where: Base-Base interactions energy: -1132.604 where: short stacking energy: -533.399 Base-Backbone interact. energy: -0.941 local terms energy: -599.742548 where: bonds (distance) C4'-P energy: -132.697 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -151.317 flat angles P-C4'-P energy: -84.125 tors. eta vs tors. theta energy: -93.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1530.552033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.552033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.552033 (E_RNA) where: Base-Base interactions energy: -957.694 where: short stacking energy: -427.936 Base-Backbone interact. energy: 1.295 local terms energy: -574.153545 where: bonds (distance) C4'-P energy: -152.773 bonds (distance) P-C4' energy: -138.713 flat angles C4'-P-C4' energy: -135.583 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: -72.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1082.334152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.334152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.334152 (E_RNA) where: Base-Base interactions energy: -596.532 where: short stacking energy: -292.508 Base-Backbone interact. energy: 1.798 local terms energy: -487.599793 where: bonds (distance) C4'-P energy: -138.995 bonds (distance) P-C4' energy: -140.677 flat angles C4'-P-C4' energy: -123.483 flat angles P-C4'-P energy: -76.710 tors. eta vs tors. theta energy: -7.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -937.748250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.748250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.748250 (E_RNA) where: Base-Base interactions energy: -494.091 where: short stacking energy: -265.418 Base-Backbone interact. energy: 1.314 local terms energy: -444.971077 where: bonds (distance) C4'-P energy: -127.788 bonds (distance) P-C4' energy: -122.892 flat angles C4'-P-C4' energy: -131.981 flat angles P-C4'-P energy: -80.852 tors. eta vs tors. theta energy: 18.542 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: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2634.674014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.674014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.674014 (E_RNA) where: Base-Base interactions energy: -1787.206 where: short stacking energy: -788.978 Base-Backbone interact. energy: -5.501 local terms energy: -841.967243 where: bonds (distance) C4'-P energy: -166.523 bonds (distance) P-C4' energy: -174.699 flat angles C4'-P-C4' energy: -176.168 flat angles P-C4'-P energy: -115.877 tors. eta vs tors. theta energy: -208.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2493.527931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.527931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.527931 (E_RNA) where: Base-Base interactions energy: -1663.644 where: short stacking energy: -753.744 Base-Backbone interact. energy: -2.406 local terms energy: -827.477750 where: bonds (distance) C4'-P energy: -147.300 bonds (distance) P-C4' energy: -180.074 flat angles C4'-P-C4' energy: -185.895 flat angles P-C4'-P energy: -117.999 tors. eta vs tors. theta energy: -196.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2358.053544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.053544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.053544 (E_RNA) where: Base-Base interactions energy: -1621.271 where: short stacking energy: -688.178 Base-Backbone interact. energy: -0.115 local terms energy: -736.667117 where: bonds (distance) C4'-P energy: -160.687 bonds (distance) P-C4' energy: -165.772 flat angles C4'-P-C4' energy: -171.087 flat angles P-C4'-P energy: -82.853 tors. eta vs tors. theta energy: -156.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2166.548622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.548622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.548622 (E_RNA) where: Base-Base interactions energy: -1437.201 where: short stacking energy: -669.867 Base-Backbone interact. energy: -1.481 local terms energy: -727.866144 where: bonds (distance) C4'-P energy: -134.714 bonds (distance) P-C4' energy: -151.777 flat angles C4'-P-C4' energy: -169.117 flat angles P-C4'-P energy: -113.477 tors. eta vs tors. theta energy: -158.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2027.905279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.905279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.905279 (E_RNA) where: Base-Base interactions energy: -1295.807 where: short stacking energy: -588.171 Base-Backbone interact. energy: -1.692 local terms energy: -730.405917 where: bonds (distance) C4'-P energy: -159.385 bonds (distance) P-C4' energy: -152.735 flat angles C4'-P-C4' energy: -173.974 flat angles P-C4'-P energy: -109.784 tors. eta vs tors. theta energy: -134.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1861.592397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.592397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.592397 (E_RNA) where: Base-Base interactions energy: -1187.567 where: short stacking energy: -557.050 Base-Backbone interact. energy: -0.299 local terms energy: -673.726734 where: bonds (distance) C4'-P energy: -153.464 bonds (distance) P-C4' energy: -151.771 flat angles C4'-P-C4' energy: -146.942 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -133.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1734.466820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.466820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.466820 (E_RNA) where: Base-Base interactions energy: -1112.495 where: short stacking energy: -518.836 Base-Backbone interact. energy: 1.120 local terms energy: -623.091562 where: bonds (distance) C4'-P energy: -137.485 bonds (distance) P-C4' energy: -166.150 flat angles C4'-P-C4' energy: -136.586 flat angles P-C4'-P energy: -89.500 tors. eta vs tors. theta energy: -93.371 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: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1523.332914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.332914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.332914 (E_RNA) where: Base-Base interactions energy: -983.775 where: short stacking energy: -462.542 Base-Backbone interact. energy: -2.513 local terms energy: -537.044463 where: bonds (distance) C4'-P energy: -134.357 bonds (distance) P-C4' energy: -136.195 flat angles C4'-P-C4' energy: -139.596 flat angles P-C4'-P energy: -74.236 tors. eta vs tors. theta energy: -52.661 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: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1094.046061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.046061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.046061 (E_RNA) where: Base-Base interactions energy: -619.118 where: short stacking energy: -317.563 Base-Backbone interact. energy: -0.440 local terms energy: -474.487959 where: bonds (distance) C4'-P energy: -137.264 bonds (distance) P-C4' energy: -135.096 flat angles C4'-P-C4' energy: -103.971 flat angles P-C4'-P energy: -72.638 tors. eta vs tors. theta energy: -25.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -942.200166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.200166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.200166 (E_RNA) where: Base-Base interactions energy: -509.706 where: short stacking energy: -248.200 Base-Backbone interact. energy: 6.542 local terms energy: -439.036932 where: bonds (distance) C4'-P energy: -121.966 bonds (distance) P-C4' energy: -129.571 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -63.083 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2687.498275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.498275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.498275 (E_RNA) where: Base-Base interactions energy: -1817.312 where: short stacking energy: -819.723 Base-Backbone interact. energy: -3.601 local terms energy: -866.584935 where: bonds (distance) C4'-P energy: -169.782 bonds (distance) P-C4' energy: -182.533 flat angles C4'-P-C4' energy: -186.715 flat angles P-C4'-P energy: -105.151 tors. eta vs tors. theta energy: -222.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2449.790305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.790305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.790305 (E_RNA) where: Base-Base interactions energy: -1609.622 where: short stacking energy: -762.185 Base-Backbone interact. energy: -2.025 local terms energy: -838.143274 where: bonds (distance) C4'-P energy: -175.195 bonds (distance) P-C4' energy: -165.704 flat angles C4'-P-C4' energy: -191.802 flat angles P-C4'-P energy: -112.939 tors. eta vs tors. theta energy: -192.503 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: 51 Temperature: 1.000000 Total energy: -2375.080942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.080942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.080942 (E_RNA) where: Base-Base interactions energy: -1581.776 where: short stacking energy: -700.605 Base-Backbone interact. energy: -4.537 local terms energy: -788.768712 where: bonds (distance) C4'-P energy: -159.034 bonds (distance) P-C4' energy: -175.777 flat angles C4'-P-C4' energy: -173.143 flat angles P-C4'-P energy: -116.883 tors. eta vs tors. theta energy: -163.931 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: 51 Temperature: 1.050000 Total energy: -2213.649654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.649654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.649654 (E_RNA) where: Base-Base interactions energy: -1452.316 where: short stacking energy: -703.423 Base-Backbone interact. energy: 1.843 local terms energy: -763.176409 where: bonds (distance) C4'-P energy: -145.582 bonds (distance) P-C4' energy: -172.180 flat angles C4'-P-C4' energy: -173.698 flat angles P-C4'-P energy: -98.029 tors. eta vs tors. theta energy: -173.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2026.292720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.292720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.292720 (E_RNA) where: Base-Base interactions energy: -1292.432 where: short stacking energy: -640.070 Base-Backbone interact. energy: -0.958 local terms energy: -732.902648 where: bonds (distance) C4'-P energy: -154.612 bonds (distance) P-C4' energy: -140.631 flat angles C4'-P-C4' energy: -146.748 flat angles P-C4'-P energy: -129.284 tors. eta vs tors. theta energy: -161.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1853.971020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.971020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.971020 (E_RNA) where: Base-Base interactions energy: -1196.162 where: short stacking energy: -549.927 Base-Backbone interact. energy: 1.710 local terms energy: -659.519333 where: bonds (distance) C4'-P energy: -146.013 bonds (distance) P-C4' energy: -146.826 flat angles C4'-P-C4' energy: -159.016 flat angles P-C4'-P energy: -94.050 tors. eta vs tors. theta energy: -113.615 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: 7, replica: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1883.808898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.808898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.808898 (E_RNA) where: Base-Base interactions energy: -1214.595 where: short stacking energy: -591.135 Base-Backbone interact. energy: -1.816 local terms energy: -667.397332 where: bonds (distance) C4'-P energy: -151.854 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -148.657 flat angles P-C4'-P energy: -96.394 tors. eta vs tors. theta energy: -124.457 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: 6 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1522.886345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.886345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.886345 (E_RNA) where: Base-Base interactions energy: -977.411 where: short stacking energy: -465.350 Base-Backbone interact. energy: -0.104 local terms energy: -545.370870 where: bonds (distance) C4'-P energy: -125.764 bonds (distance) P-C4' energy: -131.378 flat angles C4'-P-C4' energy: -126.594 flat angles P-C4'-P energy: -86.534 tors. eta vs tors. theta energy: -75.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1054.953675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.953675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.953675 (E_RNA) where: Base-Base interactions energy: -569.346 where: short stacking energy: -318.298 Base-Backbone interact. energy: 0.795 local terms energy: -486.402591 where: bonds (distance) C4'-P energy: -134.042 bonds (distance) P-C4' energy: -145.246 flat angles C4'-P-C4' energy: -123.148 flat angles P-C4'-P energy: -70.088 tors. eta vs tors. theta energy: -13.878 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: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -963.016484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.016484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.016484 (E_RNA) where: Base-Base interactions energy: -505.310 where: short stacking energy: -296.755 Base-Backbone interact. energy: 10.683 local terms energy: -468.390312 where: bonds (distance) C4'-P energy: -135.879 bonds (distance) P-C4' energy: -117.764 flat angles C4'-P-C4' energy: -133.275 flat angles P-C4'-P energy: -78.472 tors. eta vs tors. theta energy: -3.000 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: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2642.333842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.333842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.333842 (E_RNA) where: Base-Base interactions energy: -1789.271 where: short stacking energy: -817.917 Base-Backbone interact. energy: -2.175 local terms energy: -850.887940 where: bonds (distance) C4'-P energy: -163.656 bonds (distance) P-C4' energy: -172.316 flat angles C4'-P-C4' energy: -185.385 flat angles P-C4'-P energy: -102.491 tors. eta vs tors. theta energy: -227.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2415.281189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.281189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.281189 (E_RNA) where: Base-Base interactions energy: -1591.097 where: short stacking energy: -747.426 Base-Backbone interact. energy: -2.842 local terms energy: -821.342714 where: bonds (distance) C4'-P energy: -170.154 bonds (distance) P-C4' energy: -164.246 flat angles C4'-P-C4' energy: -172.558 flat angles P-C4'-P energy: -122.858 tors. eta vs tors. theta energy: -191.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2382.757997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.757997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.757997 (E_RNA) where: Base-Base interactions energy: -1597.205 where: short stacking energy: -720.168 Base-Backbone interact. energy: -6.661 local terms energy: -778.891880 where: bonds (distance) C4'-P energy: -144.772 bonds (distance) P-C4' energy: -171.687 flat angles C4'-P-C4' energy: -179.497 flat angles P-C4'-P energy: -109.473 tors. eta vs tors. theta energy: -173.464 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: 52 Temperature: 1.050000 Total energy: -2240.576197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.576197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.576197 (E_RNA) where: Base-Base interactions energy: -1491.123 where: short stacking energy: -698.244 Base-Backbone interact. energy: 3.130 local terms energy: -752.583323 where: bonds (distance) C4'-P energy: -137.751 bonds (distance) P-C4' energy: -157.194 flat angles C4'-P-C4' energy: -158.006 flat angles P-C4'-P energy: -124.147 tors. eta vs tors. theta energy: -175.485 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: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2049.961362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.961362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.961362 (E_RNA) where: Base-Base interactions energy: -1339.767 where: short stacking energy: -624.400 Base-Backbone interact. energy: -0.870 local terms energy: -709.324916 where: bonds (distance) C4'-P energy: -148.558 bonds (distance) P-C4' energy: -158.872 flat angles C4'-P-C4' energy: -155.767 flat angles P-C4'-P energy: -100.695 tors. eta vs tors. theta energy: -145.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1820.131276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.131276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.131276 (E_RNA) where: Base-Base interactions energy: -1168.912 where: short stacking energy: -548.629 Base-Backbone interact. energy: -1.949 local terms energy: -649.269567 where: bonds (distance) C4'-P energy: -132.572 bonds (distance) P-C4' energy: -154.328 flat angles C4'-P-C4' energy: -154.425 flat angles P-C4'-P energy: -90.140 tors. eta vs tors. theta energy: -117.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1839.417289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.417289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.417289 (E_RNA) where: Base-Base interactions energy: -1258.474 where: short stacking energy: -567.451 Base-Backbone interact. energy: 2.886 local terms energy: -583.829533 where: bonds (distance) C4'-P energy: -116.390 bonds (distance) P-C4' energy: -134.677 flat angles C4'-P-C4' energy: -142.808 flat angles P-C4'-P energy: -88.015 tors. eta vs tors. theta energy: -101.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1437.436639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.436639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.436639 (E_RNA) where: Base-Base interactions energy: -875.087 where: short stacking energy: -408.425 Base-Backbone interact. energy: 3.780 local terms energy: -566.129573 where: bonds (distance) C4'-P energy: -148.117 bonds (distance) P-C4' energy: -146.136 flat angles C4'-P-C4' energy: -138.974 flat angles P-C4'-P energy: -67.477 tors. eta vs tors. theta energy: -65.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1122.716928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.716928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.716928 (E_RNA) where: Base-Base interactions energy: -621.830 where: short stacking energy: -320.332 Base-Backbone interact. energy: -1.125 local terms energy: -499.761671 where: bonds (distance) C4'-P energy: -120.586 bonds (distance) P-C4' energy: -137.815 flat angles C4'-P-C4' energy: -136.223 flat angles P-C4'-P energy: -84.834 tors. eta vs tors. theta energy: -20.303 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: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -998.693055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.693055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.693055 (E_RNA) where: Base-Base interactions energy: -565.225 where: short stacking energy: -314.972 Base-Backbone interact. energy: 6.291 local terms energy: -439.759053 where: bonds (distance) C4'-P energy: -113.828 bonds (distance) P-C4' energy: -137.648 flat angles C4'-P-C4' energy: -129.072 flat angles P-C4'-P energy: -69.113 tors. eta vs tors. theta energy: 9.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2620.070137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.070137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.070137 (E_RNA) where: Base-Base interactions energy: -1778.758 where: short stacking energy: -803.786 Base-Backbone interact. energy: -1.416 local terms energy: -839.895933 where: bonds (distance) C4'-P energy: -159.471 bonds (distance) P-C4' energy: -176.518 flat angles C4'-P-C4' energy: -184.074 flat angles P-C4'-P energy: -114.845 tors. eta vs tors. theta energy: -204.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2488.011377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.011377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.011377 (E_RNA) where: Base-Base interactions energy: -1674.559 where: short stacking energy: -760.489 Base-Backbone interact. energy: -2.079 local terms energy: -811.373310 where: bonds (distance) C4'-P energy: -153.735 bonds (distance) P-C4' energy: -168.745 flat angles C4'-P-C4' energy: -178.829 flat angles P-C4'-P energy: -115.975 tors. eta vs tors. theta energy: -194.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2362.773328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.773328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.773328 (E_RNA) where: Base-Base interactions energy: -1562.221 where: short stacking energy: -701.620 Base-Backbone interact. energy: -2.070 local terms energy: -798.482043 where: bonds (distance) C4'-P energy: -154.962 bonds (distance) P-C4' energy: -175.924 flat angles C4'-P-C4' energy: -175.002 flat angles P-C4'-P energy: -112.089 tors. eta vs tors. theta energy: -180.505 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: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2256.122163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.122163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.122163 (E_RNA) where: Base-Base interactions energy: -1506.077 where: short stacking energy: -691.713 Base-Backbone interact. energy: -2.902 local terms energy: -747.143062 where: bonds (distance) C4'-P energy: -152.544 bonds (distance) P-C4' energy: -141.131 flat angles C4'-P-C4' energy: -174.107 flat angles P-C4'-P energy: -114.338 tors. eta vs tors. theta energy: -165.023 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: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2087.119667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.119667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.119667 (E_RNA) where: Base-Base interactions energy: -1357.517 where: short stacking energy: -648.739 Base-Backbone interact. energy: -0.491 local terms energy: -729.111766 where: bonds (distance) C4'-P energy: -140.499 bonds (distance) P-C4' energy: -153.998 flat angles C4'-P-C4' energy: -172.351 flat angles P-C4'-P energy: -107.889 tors. eta vs tors. theta energy: -154.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1987.545446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.545446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.545446 (E_RNA) where: Base-Base interactions energy: -1317.061 where: short stacking energy: -577.090 Base-Backbone interact. energy: -0.967 local terms energy: -669.517625 where: bonds (distance) C4'-P energy: -136.955 bonds (distance) P-C4' energy: -161.969 flat angles C4'-P-C4' energy: -158.756 flat angles P-C4'-P energy: -102.706 tors. eta vs tors. theta energy: -109.131 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: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1655.719333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.719333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.719333 (E_RNA) where: Base-Base interactions energy: -1064.038 where: short stacking energy: -501.862 Base-Backbone interact. energy: -0.533 local terms energy: -591.148161 where: bonds (distance) C4'-P energy: -125.104 bonds (distance) P-C4' energy: -146.175 flat angles C4'-P-C4' energy: -133.593 flat angles P-C4'-P energy: -82.356 tors. eta vs tors. theta energy: -103.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1457.422136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.422136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.422136 (E_RNA) where: Base-Base interactions energy: -870.421 where: short stacking energy: -424.151 Base-Backbone interact. energy: 1.304 local terms energy: -588.305092 where: bonds (distance) C4'-P energy: -152.021 bonds (distance) P-C4' energy: -137.433 flat angles C4'-P-C4' energy: -124.562 flat angles P-C4'-P energy: -94.438 tors. eta vs tors. theta energy: -79.851 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: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1101.322803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.322803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.322803 (E_RNA) where: Base-Base interactions energy: -583.910 where: short stacking energy: -331.247 Base-Backbone interact. energy: -2.388 local terms energy: -515.025284 where: bonds (distance) C4'-P energy: -144.219 bonds (distance) P-C4' energy: -138.949 flat angles C4'-P-C4' energy: -139.947 flat angles P-C4'-P energy: -71.038 tors. eta vs tors. theta energy: -20.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -965.498821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.498821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.498821 (E_RNA) where: Base-Base interactions energy: -528.674 where: short stacking energy: -264.262 Base-Backbone interact. energy: 2.401 local terms energy: -439.225294 where: bonds (distance) C4'-P energy: -133.501 bonds (distance) P-C4' energy: -142.399 flat angles C4'-P-C4' energy: -89.030 flat angles P-C4'-P energy: -76.629 tors. eta vs tors. theta energy: 2.333 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: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2646.488924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.488924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.488924 (E_RNA) where: Base-Base interactions energy: -1808.576 where: short stacking energy: -781.131 Base-Backbone interact. energy: -0.156 local terms energy: -837.756742 where: bonds (distance) C4'-P energy: -164.650 bonds (distance) P-C4' energy: -168.567 flat angles C4'-P-C4' energy: -186.166 flat angles P-C4'-P energy: -113.863 tors. eta vs tors. theta energy: -204.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2532.672778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.672778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.672778 (E_RNA) where: Base-Base interactions energy: -1696.806 where: short stacking energy: -769.187 Base-Backbone interact. energy: -7.860 local terms energy: -828.006777 where: bonds (distance) C4'-P energy: -168.142 bonds (distance) P-C4' energy: -162.945 flat angles C4'-P-C4' energy: -181.384 flat angles P-C4'-P energy: -120.710 tors. eta vs tors. theta energy: -194.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2370.561948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.561948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.561948 (E_RNA) where: Base-Base interactions energy: -1557.378 where: short stacking energy: -736.070 Base-Backbone interact. energy: -2.883 local terms energy: -810.301345 where: bonds (distance) C4'-P energy: -159.542 bonds (distance) P-C4' energy: -155.620 flat angles C4'-P-C4' energy: -191.854 flat angles P-C4'-P energy: -109.678 tors. eta vs tors. theta energy: -193.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2249.607995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.607995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.607995 (E_RNA) where: Base-Base interactions energy: -1483.171 where: short stacking energy: -692.409 Base-Backbone interact. energy: -1.743 local terms energy: -764.694062 where: bonds (distance) C4'-P energy: -144.645 bonds (distance) P-C4' energy: -157.484 flat angles C4'-P-C4' energy: -176.410 flat angles P-C4'-P energy: -115.126 tors. eta vs tors. theta energy: -171.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2147.517604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.517604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.517604 (E_RNA) where: Base-Base interactions energy: -1442.300 where: short stacking energy: -652.527 Base-Backbone interact. energy: 2.100 local terms energy: -707.317876 where: bonds (distance) C4'-P energy: -123.747 bonds (distance) P-C4' energy: -145.140 flat angles C4'-P-C4' energy: -158.084 flat angles P-C4'-P energy: -114.882 tors. eta vs tors. theta energy: -165.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2037.404573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.404573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.404573 (E_RNA) where: Base-Base interactions energy: -1349.100 where: short stacking energy: -621.299 Base-Backbone interact. energy: 3.017 local terms energy: -691.321317 where: bonds (distance) C4'-P energy: -146.045 bonds (distance) P-C4' energy: -139.441 flat angles C4'-P-C4' energy: -154.744 flat angles P-C4'-P energy: -99.849 tors. eta vs tors. theta energy: -151.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1674.693515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.693515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.693515 (E_RNA) where: Base-Base interactions energy: -1065.360 where: short stacking energy: -471.471 Base-Backbone interact. energy: -3.478 local terms energy: -605.855388 where: bonds (distance) C4'-P energy: -140.511 bonds (distance) P-C4' energy: -151.443 flat angles C4'-P-C4' energy: -141.072 flat angles P-C4'-P energy: -96.078 tors. eta vs tors. theta energy: -76.752 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: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1360.556213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.556213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.556213 (E_RNA) where: Base-Base interactions energy: -826.529 where: short stacking energy: -400.724 Base-Backbone interact. energy: -1.223 local terms energy: -532.804350 where: bonds (distance) C4'-P energy: -120.817 bonds (distance) P-C4' energy: -132.465 flat angles C4'-P-C4' energy: -135.641 flat angles P-C4'-P energy: -77.870 tors. eta vs tors. theta energy: -66.012 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: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1138.793736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.793736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.793736 (E_RNA) where: Base-Base interactions energy: -628.980 where: short stacking energy: -341.399 Base-Backbone interact. energy: -0.813 local terms energy: -509.000230 where: bonds (distance) C4'-P energy: -132.664 bonds (distance) P-C4' energy: -133.885 flat angles C4'-P-C4' energy: -127.060 flat angles P-C4'-P energy: -93.924 tors. eta vs tors. theta energy: -21.466 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: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1030.039487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.039487 (E_RNA) where: Base-Base interactions energy: -574.904 where: short stacking energy: -316.721 Base-Backbone interact. energy: 5.561 local terms energy: -460.696372 where: bonds (distance) C4'-P energy: -127.865 bonds (distance) P-C4' energy: -127.935 flat angles C4'-P-C4' energy: -123.031 flat angles P-C4'-P energy: -57.800 tors. eta vs tors. theta energy: -24.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2639.938154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.938154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.938154 (E_RNA) where: Base-Base interactions energy: -1806.211 where: short stacking energy: -782.919 Base-Backbone interact. energy: -4.479 local terms energy: -829.247864 where: bonds (distance) C4'-P energy: -164.332 bonds (distance) P-C4' energy: -163.627 flat angles C4'-P-C4' energy: -189.419 flat angles P-C4'-P energy: -114.671 tors. eta vs tors. theta energy: -197.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2525.375507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.375507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.375507 (E_RNA) where: Base-Base interactions energy: -1710.031 where: short stacking energy: -763.513 Base-Backbone interact. energy: -6.979 local terms energy: -808.365466 where: bonds (distance) C4'-P energy: -156.362 bonds (distance) P-C4' energy: -162.305 flat angles C4'-P-C4' energy: -164.330 flat angles P-C4'-P energy: -130.644 tors. eta vs tors. theta energy: -194.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2350.696022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.696022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.696022 (E_RNA) where: Base-Base interactions energy: -1540.338 where: short stacking energy: -728.496 Base-Backbone interact. energy: -3.848 local terms energy: -806.509998 where: bonds (distance) C4'-P energy: -160.573 bonds (distance) P-C4' energy: -171.992 flat angles C4'-P-C4' energy: -173.821 flat angles P-C4'-P energy: -114.708 tors. eta vs tors. theta energy: -185.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2279.619332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.619332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.619332 (E_RNA) where: Base-Base interactions energy: -1510.669 where: short stacking energy: -722.100 Base-Backbone interact. energy: 2.913 local terms energy: -771.863394 where: bonds (distance) C4'-P energy: -164.525 bonds (distance) P-C4' energy: -154.188 flat angles C4'-P-C4' energy: -177.039 flat angles P-C4'-P energy: -100.938 tors. eta vs tors. theta energy: -175.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2198.444396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.444396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.444396 (E_RNA) where: Base-Base interactions energy: -1467.466 where: short stacking energy: -662.763 Base-Backbone interact. energy: -3.042 local terms energy: -727.937099 where: bonds (distance) C4'-P energy: -151.321 bonds (distance) P-C4' energy: -139.990 flat angles C4'-P-C4' energy: -164.831 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -168.010 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: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2048.070953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.070953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.070953 (E_RNA) where: Base-Base interactions energy: -1344.710 where: short stacking energy: -635.722 Base-Backbone interact. energy: -0.015 local terms energy: -703.345927 where: bonds (distance) C4'-P energy: -132.894 bonds (distance) P-C4' energy: -166.465 flat angles C4'-P-C4' energy: -161.130 flat angles P-C4'-P energy: -80.072 tors. eta vs tors. theta energy: -162.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1591.680262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.680262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.680262 (E_RNA) where: Base-Base interactions energy: -1011.106 where: short stacking energy: -487.319 Base-Backbone interact. energy: 4.064 local terms energy: -584.638503 where: bonds (distance) C4'-P energy: -130.662 bonds (distance) P-C4' energy: -133.554 flat angles C4'-P-C4' energy: -162.772 flat angles P-C4'-P energy: -80.481 tors. eta vs tors. theta energy: -77.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1479.073962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.073962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.073962 (E_RNA) where: Base-Base interactions energy: -946.189 where: short stacking energy: -436.086 Base-Backbone interact. energy: 3.629 local terms energy: -536.513385 where: bonds (distance) C4'-P energy: -118.521 bonds (distance) P-C4' energy: -137.521 flat angles C4'-P-C4' energy: -126.629 flat angles P-C4'-P energy: -82.030 tors. eta vs tors. theta energy: -71.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1182.578281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.578281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.578281 (E_RNA) where: Base-Base interactions energy: -674.483 where: short stacking energy: -372.714 Base-Backbone interact. energy: -0.430 local terms energy: -507.665287 where: bonds (distance) C4'-P energy: -121.297 bonds (distance) P-C4' energy: -141.205 flat angles C4'-P-C4' energy: -145.303 flat angles P-C4'-P energy: -66.908 tors. eta vs tors. theta energy: -32.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1040.608477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.608477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.608477 (E_RNA) where: Base-Base interactions energy: -562.418 where: short stacking energy: -310.876 Base-Backbone interact. energy: -1.868 local terms energy: -476.323010 where: bonds (distance) C4'-P energy: -142.142 bonds (distance) P-C4' energy: -122.759 flat angles C4'-P-C4' energy: -124.122 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -32.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2647.275312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.275312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.275312 (E_RNA) where: Base-Base interactions energy: -1776.779 where: short stacking energy: -792.990 Base-Backbone interact. energy: -2.812 local terms energy: -867.683987 where: bonds (distance) C4'-P energy: -176.649 bonds (distance) P-C4' energy: -171.647 flat angles C4'-P-C4' energy: -186.177 flat angles P-C4'-P energy: -121.967 tors. eta vs tors. theta energy: -211.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2532.062732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.062732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.062732 (E_RNA) where: Base-Base interactions energy: -1733.028 where: short stacking energy: -755.386 Base-Backbone interact. energy: 2.852 local terms energy: -801.886863 where: bonds (distance) C4'-P energy: -143.030 bonds (distance) P-C4' energy: -177.183 flat angles C4'-P-C4' energy: -175.781 flat angles P-C4'-P energy: -118.804 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: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2377.145728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.145728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.145728 (E_RNA) where: Base-Base interactions energy: -1572.430 where: short stacking energy: -720.307 Base-Backbone interact. energy: -3.580 local terms energy: -801.135583 where: bonds (distance) C4'-P energy: -171.362 bonds (distance) P-C4' energy: -153.876 flat angles C4'-P-C4' energy: -174.836 flat angles P-C4'-P energy: -118.214 tors. eta vs tors. theta energy: -182.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2319.137505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.137505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.137505 (E_RNA) where: Base-Base interactions energy: -1556.319 where: short stacking energy: -727.943 Base-Backbone interact. energy: -1.035 local terms energy: -761.783333 where: bonds (distance) C4'-P energy: -150.943 bonds (distance) P-C4' energy: -158.376 flat angles C4'-P-C4' energy: -158.228 flat angles P-C4'-P energy: -110.097 tors. eta vs tors. theta energy: -184.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2191.058779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.058779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.058779 (E_RNA) where: Base-Base interactions energy: -1495.130 where: short stacking energy: -633.379 Base-Backbone interact. energy: 1.639 local terms energy: -697.567347 where: bonds (distance) C4'-P energy: -125.995 bonds (distance) P-C4' energy: -158.239 flat angles C4'-P-C4' energy: -160.025 flat angles P-C4'-P energy: -99.845 tors. eta vs tors. theta energy: -153.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2008.334669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.334669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.334669 (E_RNA) where: Base-Base interactions energy: -1274.734 where: short stacking energy: -610.021 Base-Backbone interact. energy: -2.194 local terms energy: -731.406590 where: bonds (distance) C4'-P energy: -153.891 bonds (distance) P-C4' energy: -156.342 flat angles C4'-P-C4' energy: -174.939 flat angles P-C4'-P energy: -117.956 tors. eta vs tors. theta energy: -128.279 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: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1605.826489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.826489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.826489 (E_RNA) where: Base-Base interactions energy: -1004.551 where: short stacking energy: -447.838 Base-Backbone interact. energy: -2.504 local terms energy: -598.770859 where: bonds (distance) C4'-P energy: -146.426 bonds (distance) P-C4' energy: -159.080 flat angles C4'-P-C4' energy: -139.098 flat angles P-C4'-P energy: -86.496 tors. eta vs tors. theta energy: -67.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1408.149462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.149462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.149462 (E_RNA) where: Base-Base interactions energy: -824.001 where: short stacking energy: -419.464 Base-Backbone interact. energy: -0.008 local terms energy: -584.140952 where: bonds (distance) C4'-P energy: -164.200 bonds (distance) P-C4' energy: -150.561 flat angles C4'-P-C4' energy: -135.635 flat angles P-C4'-P energy: -83.745 tors. eta vs tors. theta energy: -50.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1053.664855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.664855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.664855 (E_RNA) where: Base-Base interactions energy: -591.103 where: short stacking energy: -318.668 Base-Backbone interact. energy: 4.061 local terms energy: -466.622262 where: bonds (distance) C4'-P energy: -121.455 bonds (distance) P-C4' energy: -120.600 flat angles C4'-P-C4' energy: -112.903 flat angles P-C4'-P energy: -92.887 tors. eta vs tors. theta energy: -18.778 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: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1010.788034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.788034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.788034 (E_RNA) where: Base-Base interactions energy: -559.624 where: short stacking energy: -310.688 Base-Backbone interact. energy: 0.648 local terms energy: -451.811256 where: bonds (distance) C4'-P energy: -136.019 bonds (distance) P-C4' energy: -144.537 flat angles C4'-P-C4' energy: -117.272 flat angles P-C4'-P energy: -44.624 tors. eta vs tors. theta energy: -9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2651.755736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.755736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.755736 (E_RNA) where: Base-Base interactions energy: -1772.550 where: short stacking energy: -778.853 Base-Backbone interact. energy: -2.782 local terms energy: -876.424115 where: bonds (distance) C4'-P energy: -173.707 bonds (distance) P-C4' energy: -179.243 flat angles C4'-P-C4' energy: -190.843 flat angles P-C4'-P energy: -115.488 tors. eta vs tors. theta energy: -217.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2577.003355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.003355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.003355 (E_RNA) where: Base-Base interactions energy: -1791.876 where: short stacking energy: -778.405 Base-Backbone interact. energy: -6.431 local terms energy: -778.695989 where: bonds (distance) C4'-P energy: -155.836 bonds (distance) P-C4' energy: -153.717 flat angles C4'-P-C4' energy: -170.263 flat angles P-C4'-P energy: -108.759 tors. eta vs tors. theta energy: -190.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2351.966389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.966389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.966389 (E_RNA) where: Base-Base interactions energy: -1554.069 where: short stacking energy: -706.127 Base-Backbone interact. energy: -1.131 local terms energy: -796.766183 where: bonds (distance) C4'-P energy: -147.534 bonds (distance) P-C4' energy: -169.572 flat angles C4'-P-C4' energy: -171.043 flat angles P-C4'-P energy: -120.372 tors. eta vs tors. theta energy: -188.246 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: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2273.962089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.962089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.962089 (E_RNA) where: Base-Base interactions energy: -1473.313 where: short stacking energy: -688.015 Base-Backbone interact. energy: 1.796 local terms energy: -802.445528 where: bonds (distance) C4'-P energy: -156.984 bonds (distance) P-C4' energy: -173.012 flat angles C4'-P-C4' energy: -165.712 flat angles P-C4'-P energy: -122.150 tors. eta vs tors. theta energy: -184.588 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: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2302.334338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.334338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.334338 (E_RNA) where: Base-Base interactions energy: -1530.702 where: short stacking energy: -675.972 Base-Backbone interact. energy: -0.938 local terms energy: -770.694052 where: bonds (distance) C4'-P energy: -155.281 bonds (distance) P-C4' energy: -161.968 flat angles C4'-P-C4' energy: -177.880 flat angles P-C4'-P energy: -111.649 tors. eta vs tors. theta energy: -163.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2009.036487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.036487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.036487 (E_RNA) where: Base-Base interactions energy: -1343.137 where: short stacking energy: -638.058 Base-Backbone interact. energy: 3.668 local terms energy: -669.567439 where: bonds (distance) C4'-P energy: -124.387 bonds (distance) P-C4' energy: -150.270 flat angles C4'-P-C4' energy: -153.261 flat angles P-C4'-P energy: -99.228 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: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1599.098196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.098196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.098196 (E_RNA) where: Base-Base interactions energy: -994.886 where: short stacking energy: -464.897 Base-Backbone interact. energy: -0.320 local terms energy: -603.892285 where: bonds (distance) C4'-P energy: -145.508 bonds (distance) P-C4' energy: -155.990 flat angles C4'-P-C4' energy: -153.566 flat angles P-C4'-P energy: -88.931 tors. eta vs tors. theta energy: -59.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1441.078352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.078352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.078352 (E_RNA) where: Base-Base interactions energy: -846.203 where: short stacking energy: -401.274 Base-Backbone interact. energy: 3.922 local terms energy: -598.797103 where: bonds (distance) C4'-P energy: -143.505 bonds (distance) P-C4' energy: -129.950 flat angles C4'-P-C4' energy: -161.309 flat angles P-C4'-P energy: -107.712 tors. eta vs tors. theta energy: -56.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1161.770961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.770961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.770961 (E_RNA) where: Base-Base interactions energy: -669.222 where: short stacking energy: -365.238 Base-Backbone interact. energy: -2.800 local terms energy: -489.749149 where: bonds (distance) C4'-P energy: -135.645 bonds (distance) P-C4' energy: -149.567 flat angles C4'-P-C4' energy: -103.395 flat angles P-C4'-P energy: -73.431 tors. eta vs tors. theta energy: -27.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1000.658700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.658700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.658700 (E_RNA) where: Base-Base interactions energy: -575.733 where: short stacking energy: -306.917 Base-Backbone interact. energy: 0.332 local terms energy: -425.257274 where: bonds (distance) C4'-P energy: -111.337 bonds (distance) P-C4' energy: -138.174 flat angles C4'-P-C4' energy: -115.460 flat angles P-C4'-P energy: -69.594 tors. eta vs tors. theta energy: 9.307 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: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2674.079287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.079287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.079287 (E_RNA) where: Base-Base interactions energy: -1829.363 where: short stacking energy: -786.551 Base-Backbone interact. energy: -0.654 local terms energy: -844.062492 where: bonds (distance) C4'-P energy: -167.924 bonds (distance) P-C4' energy: -179.132 flat angles C4'-P-C4' energy: -174.976 flat angles P-C4'-P energy: -115.450 tors. eta vs tors. theta energy: -206.581 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: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2542.886471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.886471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.886471 (E_RNA) where: Base-Base interactions energy: -1730.292 where: short stacking energy: -730.121 Base-Backbone interact. energy: -6.021 local terms energy: -806.573807 where: bonds (distance) C4'-P energy: -149.117 bonds (distance) P-C4' energy: -177.831 flat angles C4'-P-C4' energy: -169.233 flat angles P-C4'-P energy: -129.871 tors. eta vs tors. theta energy: -180.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2357.725076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.725076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.725076 (E_RNA) where: Base-Base interactions energy: -1566.187 where: short stacking energy: -746.438 Base-Backbone interact. energy: 0.982 local terms energy: -792.519634 where: bonds (distance) C4'-P energy: -147.770 bonds (distance) P-C4' energy: -156.324 flat angles C4'-P-C4' energy: -191.339 flat angles P-C4'-P energy: -110.535 tors. eta vs tors. theta energy: -186.552 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: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2265.186166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.186166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.186166 (E_RNA) where: Base-Base interactions energy: -1534.683 where: short stacking energy: -700.549 Base-Backbone interact. energy: -1.517 local terms energy: -728.986283 where: bonds (distance) C4'-P energy: -138.267 bonds (distance) P-C4' energy: -151.896 flat angles C4'-P-C4' energy: -170.954 flat angles P-C4'-P energy: -99.884 tors. eta vs tors. theta energy: -167.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2342.575821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.575821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.575821 (E_RNA) where: Base-Base interactions energy: -1620.523 where: short stacking energy: -707.369 Base-Backbone interact. energy: -1.918 local terms energy: -720.134415 where: bonds (distance) C4'-P energy: -138.120 bonds (distance) P-C4' energy: -146.733 flat angles C4'-P-C4' energy: -167.020 flat angles P-C4'-P energy: -99.821 tors. eta vs tors. theta energy: -168.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2048.183043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.183043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.183043 (E_RNA) where: Base-Base interactions energy: -1370.947 where: short stacking energy: -638.466 Base-Backbone interact. energy: -2.059 local terms energy: -675.177307 where: bonds (distance) C4'-P energy: -147.052 bonds (distance) P-C4' energy: -131.880 flat angles C4'-P-C4' energy: -151.013 flat angles P-C4'-P energy: -78.500 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: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1500.227036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.227036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.227036 (E_RNA) where: Base-Base interactions energy: -916.387 where: short stacking energy: -452.197 Base-Backbone interact. energy: -3.684 local terms energy: -580.156168 where: bonds (distance) C4'-P energy: -147.382 bonds (distance) P-C4' energy: -144.561 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -83.212 tors. eta vs tors. theta energy: -61.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1514.800420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.800420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.800420 (E_RNA) where: Base-Base interactions energy: -947.094 where: short stacking energy: -445.143 Base-Backbone interact. energy: 2.277 local terms energy: -569.982990 where: bonds (distance) C4'-P energy: -145.297 bonds (distance) P-C4' energy: -129.339 flat angles C4'-P-C4' energy: -143.654 flat angles P-C4'-P energy: -96.696 tors. eta vs tors. theta energy: -54.997 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: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1263.809325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.809325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.809325 (E_RNA) where: Base-Base interactions energy: -787.475 where: short stacking energy: -356.486 Base-Backbone interact. energy: 1.054 local terms energy: -477.389172 where: bonds (distance) C4'-P energy: -114.895 bonds (distance) P-C4' energy: -135.278 flat angles C4'-P-C4' energy: -133.154 flat angles P-C4'-P energy: -60.520 tors. eta vs tors. theta energy: -33.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -926.472972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.472972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.472972 (E_RNA) where: Base-Base interactions energy: -481.845 where: short stacking energy: -254.101 Base-Backbone interact. energy: -0.213 local terms energy: -444.414862 where: bonds (distance) C4'-P energy: -125.642 bonds (distance) P-C4' energy: -136.554 flat angles C4'-P-C4' energy: -118.866 flat angles P-C4'-P energy: -61.050 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: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2634.750165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.750165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.750165 (E_RNA) where: Base-Base interactions energy: -1793.171 where: short stacking energy: -784.864 Base-Backbone interact. energy: -3.239 local terms energy: -838.340274 where: bonds (distance) C4'-P energy: -162.610 bonds (distance) P-C4' energy: -163.501 flat angles C4'-P-C4' energy: -193.975 flat angles P-C4'-P energy: -104.342 tors. eta vs tors. theta energy: -213.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2556.772638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.772638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.772638 (E_RNA) where: Base-Base interactions energy: -1713.739 where: short stacking energy: -781.894 Base-Backbone interact. energy: -8.346 local terms energy: -834.687579 where: bonds (distance) C4'-P energy: -168.129 bonds (distance) P-C4' energy: -180.817 flat angles C4'-P-C4' energy: -181.207 flat angles P-C4'-P energy: -110.876 tors. eta vs tors. theta energy: -193.659 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: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2340.605660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.605660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.605660 (E_RNA) where: Base-Base interactions energy: -1532.216 where: short stacking energy: -710.863 Base-Backbone interact. energy: -3.134 local terms energy: -805.255988 where: bonds (distance) C4'-P energy: -158.865 bonds (distance) P-C4' energy: -168.880 flat angles C4'-P-C4' energy: -182.559 flat angles P-C4'-P energy: -117.615 tors. eta vs tors. theta energy: -177.337 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: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2377.290844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.290844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.290844 (E_RNA) where: Base-Base interactions energy: -1629.580 where: short stacking energy: -693.612 Base-Backbone interact. energy: -2.579 local terms energy: -745.130960 where: bonds (distance) C4'-P energy: -147.959 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -173.464 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -161.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2164.922601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.922601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.922601 (E_RNA) where: Base-Base interactions energy: -1416.044 where: short stacking energy: -654.748 Base-Backbone interact. energy: -1.278 local terms energy: -747.600338 where: bonds (distance) C4'-P energy: -133.877 bonds (distance) P-C4' energy: -168.937 flat angles C4'-P-C4' energy: -164.046 flat angles P-C4'-P energy: -107.156 tors. eta vs tors. theta energy: -173.583 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: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2030.786642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.786642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.786642 (E_RNA) where: Base-Base interactions energy: -1319.977 where: short stacking energy: -601.424 Base-Backbone interact. energy: -2.956 local terms energy: -707.852730 where: bonds (distance) C4'-P energy: -145.644 bonds (distance) P-C4' energy: -140.540 flat angles C4'-P-C4' energy: -172.618 flat angles P-C4'-P energy: -96.542 tors. eta vs tors. theta energy: -152.510 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: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1528.017704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.017704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.017704 (E_RNA) where: Base-Base interactions energy: -931.434 where: short stacking energy: -428.782 Base-Backbone interact. energy: -2.859 local terms energy: -593.724759 where: bonds (distance) C4'-P energy: -156.487 bonds (distance) P-C4' energy: -155.012 flat angles C4'-P-C4' energy: -131.226 flat angles P-C4'-P energy: -82.071 tors. eta vs tors. theta energy: -68.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1430.756191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.756191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.756191 (E_RNA) where: Base-Base interactions energy: -866.567 where: short stacking energy: -413.112 Base-Backbone interact. energy: -2.532 local terms energy: -561.657117 where: bonds (distance) C4'-P energy: -106.860 bonds (distance) P-C4' energy: -162.261 flat angles C4'-P-C4' energy: -137.482 flat angles P-C4'-P energy: -84.451 tors. eta vs tors. theta energy: -70.602 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: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1412.430576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.430576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.430576 (E_RNA) where: Base-Base interactions energy: -846.688 where: short stacking energy: -399.036 Base-Backbone interact. energy: -2.126 local terms energy: -563.615802 where: bonds (distance) C4'-P energy: -145.631 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -152.195 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: -55.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -877.801537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.801537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.801537 (E_RNA) where: Base-Base interactions energy: -417.089 where: short stacking energy: -236.947 Base-Backbone interact. energy: -2.076 local terms energy: -458.636199 where: bonds (distance) C4'-P energy: -137.374 bonds (distance) P-C4' energy: -131.032 flat angles C4'-P-C4' energy: -119.272 flat angles P-C4'-P energy: -70.145 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2611.352427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.352427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.352427 (E_RNA) where: Base-Base interactions energy: -1788.350 where: short stacking energy: -797.074 Base-Backbone interact. energy: 3.407 local terms energy: -826.409518 where: bonds (distance) C4'-P energy: -155.089 bonds (distance) P-C4' energy: -170.988 flat angles C4'-P-C4' energy: -179.337 flat angles P-C4'-P energy: -105.063 tors. eta vs tors. theta energy: -215.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2593.605972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.605972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.605972 (E_RNA) where: Base-Base interactions energy: -1784.967 where: short stacking energy: -787.744 Base-Backbone interact. energy: -3.905 local terms energy: -804.734353 where: bonds (distance) C4'-P energy: -157.498 bonds (distance) P-C4' energy: -152.178 flat angles C4'-P-C4' energy: -177.505 flat angles P-C4'-P energy: -118.038 tors. eta vs tors. theta energy: -199.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2508.327744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.327744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.327744 (E_RNA) where: Base-Base interactions energy: -1704.630 where: short stacking energy: -757.640 Base-Backbone interact. energy: -6.727 local terms energy: -796.971347 where: bonds (distance) C4'-P energy: -151.687 bonds (distance) P-C4' energy: -158.052 flat angles C4'-P-C4' energy: -181.810 flat angles P-C4'-P energy: -108.739 tors. eta vs tors. theta energy: -196.683 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: 60 Temperature: 1.050000 Total energy: -2306.068026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.068026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.068026 (E_RNA) where: Base-Base interactions energy: -1568.320 where: short stacking energy: -718.942 Base-Backbone interact. energy: -1.629 local terms energy: -736.119144 where: bonds (distance) C4'-P energy: -150.039 bonds (distance) P-C4' energy: -154.335 flat angles C4'-P-C4' energy: -175.588 flat angles P-C4'-P energy: -83.471 tors. eta vs tors. theta energy: -172.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2164.973092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.973092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.973092 (E_RNA) where: Base-Base interactions energy: -1438.220 where: short stacking energy: -678.079 Base-Backbone interact. energy: -1.019 local terms energy: -725.733503 where: bonds (distance) C4'-P energy: -143.721 bonds (distance) P-C4' energy: -136.776 flat angles C4'-P-C4' energy: -161.713 flat angles P-C4'-P energy: -115.469 tors. eta vs tors. theta energy: -168.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2072.103234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.103234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.103234 (E_RNA) where: Base-Base interactions energy: -1368.101 where: short stacking energy: -616.802 Base-Backbone interact. energy: -4.100 local terms energy: -699.902175 where: bonds (distance) C4'-P energy: -154.607 bonds (distance) P-C4' energy: -141.735 flat angles C4'-P-C4' energy: -162.449 flat angles P-C4'-P energy: -101.306 tors. eta vs tors. theta energy: -139.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1629.112651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.112651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.112651 (E_RNA) where: Base-Base interactions energy: -1043.191 where: short stacking energy: -514.512 Base-Backbone interact. energy: -1.233 local terms energy: -584.688042 where: bonds (distance) C4'-P energy: -133.747 bonds (distance) P-C4' energy: -134.067 flat angles C4'-P-C4' energy: -115.347 flat angles P-C4'-P energy: -95.154 tors. eta vs tors. theta energy: -106.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1443.330030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.330030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.330030 (E_RNA) where: Base-Base interactions energy: -874.246 where: short stacking energy: -412.964 Base-Backbone interact. energy: 0.039 local terms energy: -569.122860 where: bonds (distance) C4'-P energy: -140.201 bonds (distance) P-C4' energy: -146.358 flat angles C4'-P-C4' energy: -147.832 flat angles P-C4'-P energy: -69.870 tors. eta vs tors. theta energy: -64.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1396.772393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.772393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.772393 (E_RNA) where: Base-Base interactions energy: -843.927 where: short stacking energy: -400.719 Base-Backbone interact. energy: -1.504 local terms energy: -551.341554 where: bonds (distance) C4'-P energy: -133.247 bonds (distance) P-C4' energy: -145.370 flat angles C4'-P-C4' energy: -116.487 flat angles P-C4'-P energy: -92.816 tors. eta vs tors. theta energy: -63.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -929.743837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.743837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.743837 (E_RNA) where: Base-Base interactions energy: -470.612 where: short stacking energy: -278.202 Base-Backbone interact. energy: 2.988 local terms energy: -462.119517 where: bonds (distance) C4'-P energy: -136.011 bonds (distance) P-C4' energy: -136.683 flat angles C4'-P-C4' energy: -154.622 flat angles P-C4'-P energy: -42.637 tors. eta vs tors. theta energy: 7.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2611.661049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.661049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.661049 (E_RNA) where: Base-Base interactions energy: -1749.206 where: short stacking energy: -793.163 Base-Backbone interact. energy: -5.657 local terms energy: -856.798442 where: bonds (distance) C4'-P energy: -167.427 bonds (distance) P-C4' energy: -183.158 flat angles C4'-P-C4' energy: -175.041 flat angles P-C4'-P energy: -108.747 tors. eta vs tors. theta energy: -222.425 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: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2618.299759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.299759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.299759 (E_RNA) where: Base-Base interactions energy: -1809.635 where: short stacking energy: -762.601 Base-Backbone interact. energy: -3.896 local terms energy: -804.769327 where: bonds (distance) C4'-P energy: -164.886 bonds (distance) P-C4' energy: -160.861 flat angles C4'-P-C4' energy: -180.532 flat angles P-C4'-P energy: -115.547 tors. eta vs tors. theta energy: -182.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2509.487793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.487793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.487793 (E_RNA) where: Base-Base interactions energy: -1710.753 where: short stacking energy: -766.597 Base-Backbone interact. energy: -2.305 local terms energy: -796.429975 where: bonds (distance) C4'-P energy: -147.739 bonds (distance) P-C4' energy: -158.282 flat angles C4'-P-C4' energy: -189.714 flat angles P-C4'-P energy: -101.384 tors. eta vs tors. theta energy: -199.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2301.684170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.684170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.684170 (E_RNA) where: Base-Base interactions energy: -1522.781 where: short stacking energy: -705.499 Base-Backbone interact. energy: -5.431 local terms energy: -773.472706 where: bonds (distance) C4'-P energy: -145.638 bonds (distance) P-C4' energy: -154.354 flat angles C4'-P-C4' energy: -173.942 flat angles P-C4'-P energy: -113.373 tors. eta vs tors. theta energy: -186.166 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: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2155.186527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.186527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.186527 (E_RNA) where: Base-Base interactions energy: -1413.015 where: short stacking energy: -650.367 Base-Backbone interact. energy: -1.425 local terms energy: -740.746392 where: bonds (distance) C4'-P energy: -144.970 bonds (distance) P-C4' energy: -154.677 flat angles C4'-P-C4' energy: -170.103 flat angles P-C4'-P energy: -106.495 tors. eta vs tors. theta energy: -164.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2053.176081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.176081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.176081 (E_RNA) where: Base-Base interactions energy: -1357.867 where: short stacking energy: -643.046 Base-Backbone interact. energy: -2.189 local terms energy: -693.120706 where: bonds (distance) C4'-P energy: -139.879 bonds (distance) P-C4' energy: -160.958 flat angles C4'-P-C4' energy: -137.500 flat angles P-C4'-P energy: -109.406 tors. eta vs tors. theta energy: -145.378 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: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1780.193930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.193930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.193930 (E_RNA) where: Base-Base interactions energy: -1156.106 where: short stacking energy: -509.160 Base-Backbone interact. energy: 0.248 local terms energy: -624.335037 where: bonds (distance) C4'-P energy: -133.330 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -144.456 flat angles P-C4'-P energy: -85.443 tors. eta vs tors. theta energy: -103.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1437.890139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.890139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.890139 (E_RNA) where: Base-Base interactions energy: -896.549 where: short stacking energy: -427.313 Base-Backbone interact. energy: 0.208 local terms energy: -541.549277 where: bonds (distance) C4'-P energy: -112.565 bonds (distance) P-C4' energy: -139.835 flat angles C4'-P-C4' energy: -130.889 flat angles P-C4'-P energy: -85.365 tors. eta vs tors. theta energy: -72.894 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: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1331.519587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.519587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.519587 (E_RNA) where: Base-Base interactions energy: -782.765 where: short stacking energy: -374.585 Base-Backbone interact. energy: 3.077 local terms energy: -551.831508 where: bonds (distance) C4'-P energy: -135.934 bonds (distance) P-C4' energy: -149.421 flat angles C4'-P-C4' energy: -140.654 flat angles P-C4'-P energy: -78.648 tors. eta vs tors. theta energy: -47.174 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: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -993.367423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.367423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.367423 (E_RNA) where: Base-Base interactions energy: -512.607 where: short stacking energy: -280.159 Base-Backbone interact. energy: 5.781 local terms energy: -486.540909 where: bonds (distance) C4'-P energy: -134.710 bonds (distance) P-C4' energy: -138.980 flat angles C4'-P-C4' energy: -140.047 flat angles P-C4'-P energy: -61.396 tors. eta vs tors. theta energy: -11.407 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: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2663.001754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.001754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.001754 (E_RNA) where: Base-Base interactions energy: -1789.126 where: short stacking energy: -800.311 Base-Backbone interact. energy: -2.128 local terms energy: -871.748352 where: bonds (distance) C4'-P energy: -177.446 bonds (distance) P-C4' energy: -169.015 flat angles C4'-P-C4' energy: -187.913 flat angles P-C4'-P energy: -117.014 tors. eta vs tors. theta energy: -220.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2625.992834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.992834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.992834 (E_RNA) where: Base-Base interactions energy: -1796.461 where: short stacking energy: -753.192 Base-Backbone interact. energy: -5.708 local terms energy: -823.823219 where: bonds (distance) C4'-P energy: -175.766 bonds (distance) P-C4' energy: -171.658 flat angles C4'-P-C4' energy: -179.858 flat angles P-C4'-P energy: -109.541 tors. eta vs tors. theta energy: -187.001 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: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2584.333754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.333754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.333754 (E_RNA) where: Base-Base interactions energy: -1746.149 where: short stacking energy: -807.261 Base-Backbone interact. energy: -2.460 local terms energy: -835.724893 where: bonds (distance) C4'-P energy: -160.258 bonds (distance) P-C4' energy: -151.633 flat angles C4'-P-C4' energy: -179.610 flat angles P-C4'-P energy: -132.719 tors. eta vs tors. theta energy: -211.505 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: 4, replica: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2344.411679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.411679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.411679 (E_RNA) where: Base-Base interactions energy: -1573.315 where: short stacking energy: -717.262 Base-Backbone interact. energy: 3.478 local terms energy: -774.574366 where: bonds (distance) C4'-P energy: -144.623 bonds (distance) P-C4' energy: -158.599 flat angles C4'-P-C4' energy: -172.474 flat angles P-C4'-P energy: -107.730 tors. eta vs tors. theta energy: -191.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2107.180025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.180025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.180025 (E_RNA) where: Base-Base interactions energy: -1418.791 where: short stacking energy: -667.259 Base-Backbone interact. energy: -1.942 local terms energy: -686.447123 where: bonds (distance) C4'-P energy: -138.990 bonds (distance) P-C4' energy: -146.279 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -86.948 tors. eta vs tors. theta energy: -157.618 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: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2033.757530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.757530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.757530 (E_RNA) where: Base-Base interactions energy: -1322.311 where: short stacking energy: -601.854 Base-Backbone interact. energy: 0.863 local terms energy: -712.309338 where: bonds (distance) C4'-P energy: -153.192 bonds (distance) P-C4' energy: -150.292 flat angles C4'-P-C4' energy: -156.154 flat angles P-C4'-P energy: -104.761 tors. eta vs tors. theta energy: -147.910 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: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1837.040948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.040948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.040948 (E_RNA) where: Base-Base interactions energy: -1221.200 where: short stacking energy: -577.637 Base-Backbone interact. energy: -3.754 local terms energy: -612.086082 where: bonds (distance) C4'-P energy: -137.317 bonds (distance) P-C4' energy: -131.508 flat angles C4'-P-C4' energy: -156.740 flat angles P-C4'-P energy: -75.752 tors. eta vs tors. theta energy: -110.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1455.831497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.831497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.831497 (E_RNA) where: Base-Base interactions energy: -880.700 where: short stacking energy: -403.442 Base-Backbone interact. energy: 6.886 local terms energy: -582.017281 where: bonds (distance) C4'-P energy: -144.554 bonds (distance) P-C4' energy: -156.019 flat angles C4'-P-C4' energy: -132.377 flat angles P-C4'-P energy: -94.354 tors. eta vs tors. theta energy: -54.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1371.363250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.363250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.363250 (E_RNA) where: Base-Base interactions energy: -819.154 where: short stacking energy: -392.320 Base-Backbone interact. energy: 8.888 local terms energy: -561.097001 where: bonds (distance) C4'-P energy: -144.658 bonds (distance) P-C4' energy: -161.054 flat angles C4'-P-C4' energy: -133.223 flat angles P-C4'-P energy: -77.319 tors. eta vs tors. theta energy: -44.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -971.234721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.234721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.234721 (E_RNA) where: Base-Base interactions energy: -516.554 where: short stacking energy: -286.502 Base-Backbone interact. energy: 3.045 local terms energy: -457.726167 where: bonds (distance) C4'-P energy: -140.805 bonds (distance) P-C4' energy: -135.679 flat angles C4'-P-C4' energy: -131.811 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: 1.556 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: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2642.540614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.540614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.540614 (E_RNA) where: Base-Base interactions energy: -1775.667 where: short stacking energy: -792.886 Base-Backbone interact. energy: -3.116 local terms energy: -863.757436 where: bonds (distance) C4'-P energy: -183.965 bonds (distance) P-C4' energy: -166.386 flat angles C4'-P-C4' energy: -180.972 flat angles P-C4'-P energy: -123.694 tors. eta vs tors. theta energy: -208.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2560.578367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.578367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.578367 (E_RNA) where: Base-Base interactions energy: -1699.231 where: short stacking energy: -779.643 Base-Backbone interact. energy: -0.871 local terms energy: -860.476727 where: bonds (distance) C4'-P energy: -161.772 bonds (distance) P-C4' energy: -165.825 flat angles C4'-P-C4' energy: -201.180 flat angles P-C4'-P energy: -136.234 tors. eta vs tors. theta energy: -195.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2485.716209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.716209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.716209 (E_RNA) where: Base-Base interactions energy: -1719.210 where: short stacking energy: -730.285 Base-Backbone interact. energy: -4.320 local terms energy: -762.186066 where: bonds (distance) C4'-P energy: -137.836 bonds (distance) P-C4' energy: -143.547 flat angles C4'-P-C4' energy: -176.822 flat angles P-C4'-P energy: -125.758 tors. eta vs tors. theta energy: -178.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2378.726525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.726525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.726525 (E_RNA) where: Base-Base interactions energy: -1605.785 where: short stacking energy: -738.587 Base-Backbone interact. energy: -0.669 local terms energy: -772.272336 where: bonds (distance) C4'-P energy: -140.819 bonds (distance) P-C4' energy: -158.364 flat angles C4'-P-C4' energy: -177.119 flat angles P-C4'-P energy: -94.596 tors. eta vs tors. theta energy: -201.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2139.110416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.110416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.110416 (E_RNA) where: Base-Base interactions energy: -1410.375 where: short stacking energy: -626.631 Base-Backbone interact. energy: -2.656 local terms energy: -726.079061 where: bonds (distance) C4'-P energy: -152.229 bonds (distance) P-C4' energy: -162.892 flat angles C4'-P-C4' energy: -169.608 flat angles P-C4'-P energy: -98.671 tors. eta vs tors. theta energy: -142.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2086.366448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.366448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.366448 (E_RNA) where: Base-Base interactions energy: -1412.284 where: short stacking energy: -622.009 Base-Backbone interact. energy: 2.510 local terms energy: -676.592359 where: bonds (distance) C4'-P energy: -134.918 bonds (distance) P-C4' energy: -145.595 flat angles C4'-P-C4' energy: -169.168 flat angles P-C4'-P energy: -88.414 tors. eta vs tors. theta energy: -138.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1771.539056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.539056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.539056 (E_RNA) where: Base-Base interactions energy: -1163.523 where: short stacking energy: -487.406 Base-Backbone interact. energy: -0.215 local terms energy: -607.800808 where: bonds (distance) C4'-P energy: -142.071 bonds (distance) P-C4' energy: -148.782 flat angles C4'-P-C4' energy: -137.471 flat angles P-C4'-P energy: -88.209 tors. eta vs tors. theta energy: -91.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1515.901430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.901430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.901430 (E_RNA) where: Base-Base interactions energy: -928.952 where: short stacking energy: -427.797 Base-Backbone interact. energy: 2.594 local terms energy: -589.543378 where: bonds (distance) C4'-P energy: -116.204 bonds (distance) P-C4' energy: -163.005 flat angles C4'-P-C4' energy: -149.756 flat angles P-C4'-P energy: -96.692 tors. eta vs tors. theta energy: -63.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1350.218714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.218714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.218714 (E_RNA) where: Base-Base interactions energy: -808.426 where: short stacking energy: -384.550 Base-Backbone interact. energy: 2.450 local terms energy: -544.242675 where: bonds (distance) C4'-P energy: -128.734 bonds (distance) P-C4' energy: -157.708 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -76.103 tors. eta vs tors. theta energy: -54.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -861.535850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.535850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.535850 (E_RNA) where: Base-Base interactions energy: -427.183 where: short stacking energy: -249.957 Base-Backbone interact. energy: -2.996 local terms energy: -431.357181 where: bonds (distance) C4'-P energy: -132.624 bonds (distance) P-C4' energy: -146.705 flat angles C4'-P-C4' energy: -95.938 flat angles P-C4'-P energy: -70.983 tors. eta vs tors. theta energy: 14.893 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: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2656.311946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.311946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.311946 (E_RNA) where: Base-Base interactions energy: -1814.844 where: short stacking energy: -789.617 Base-Backbone interact. energy: -1.797 local terms energy: -839.671148 where: bonds (distance) C4'-P energy: -163.473 bonds (distance) P-C4' energy: -175.114 flat angles C4'-P-C4' energy: -183.506 flat angles P-C4'-P energy: -113.490 tors. eta vs tors. theta energy: -204.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2589.076622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.076622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.076622 (E_RNA) where: Base-Base interactions energy: -1790.680 where: short stacking energy: -782.746 Base-Backbone interact. energy: -3.548 local terms energy: -794.848748 where: bonds (distance) C4'-P energy: -157.174 bonds (distance) P-C4' energy: -154.093 flat angles C4'-P-C4' energy: -181.232 flat angles P-C4'-P energy: -101.571 tors. eta vs tors. theta energy: -200.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2523.970593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.970593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.970593 (E_RNA) where: Base-Base interactions energy: -1739.378 where: short stacking energy: -744.273 Base-Backbone interact. energy: -5.137 local terms energy: -779.455507 where: bonds (distance) C4'-P energy: -145.266 bonds (distance) P-C4' energy: -162.915 flat angles C4'-P-C4' energy: -181.353 flat angles P-C4'-P energy: -105.126 tors. eta vs tors. theta energy: -184.794 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: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2264.818927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.818927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.818927 (E_RNA) where: Base-Base interactions energy: -1505.897 where: short stacking energy: -685.667 Base-Backbone interact. energy: 0.292 local terms energy: -759.213861 where: bonds (distance) C4'-P energy: -170.700 bonds (distance) P-C4' energy: -150.566 flat angles C4'-P-C4' energy: -161.465 flat angles P-C4'-P energy: -106.368 tors. eta vs tors. theta energy: -170.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2167.370113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.370113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.370113 (E_RNA) where: Base-Base interactions energy: -1431.483 where: short stacking energy: -686.280 Base-Backbone interact. energy: 0.950 local terms energy: -736.836670 where: bonds (distance) C4'-P energy: -139.364 bonds (distance) P-C4' energy: -157.887 flat angles C4'-P-C4' energy: -164.621 flat angles P-C4'-P energy: -101.194 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: 6, replica: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2037.424703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.424703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.424703 (E_RNA) where: Base-Base interactions energy: -1347.740 where: short stacking energy: -586.486 Base-Backbone interact. energy: -2.621 local terms energy: -687.063807 where: bonds (distance) C4'-P energy: -153.333 bonds (distance) P-C4' energy: -146.065 flat angles C4'-P-C4' energy: -163.726 flat angles P-C4'-P energy: -83.206 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: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1773.069999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.069999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.069999 (E_RNA) where: Base-Base interactions energy: -1153.216 where: short stacking energy: -481.607 Base-Backbone interact. energy: 0.262 local terms energy: -620.115852 where: bonds (distance) C4'-P energy: -137.265 bonds (distance) P-C4' energy: -152.269 flat angles C4'-P-C4' energy: -143.104 flat angles P-C4'-P energy: -105.566 tors. eta vs tors. theta energy: -81.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1531.105347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.105347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.105347 (E_RNA) where: Base-Base interactions energy: -950.394 where: short stacking energy: -457.718 Base-Backbone interact. energy: 5.674 local terms energy: -586.385252 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -132.211 flat angles C4'-P-C4' energy: -138.919 flat angles P-C4'-P energy: -101.223 tors. eta vs tors. theta energy: -90.657 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: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1368.533785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.533785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.533785 (E_RNA) where: Base-Base interactions energy: -882.876 where: short stacking energy: -411.993 Base-Backbone interact. energy: 7.814 local terms energy: -493.470895 where: bonds (distance) C4'-P energy: -120.760 bonds (distance) P-C4' energy: -150.946 flat angles C4'-P-C4' energy: -131.019 flat angles P-C4'-P energy: -43.615 tors. eta vs tors. theta energy: -47.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -822.069606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.069606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.069606 (E_RNA) where: Base-Base interactions energy: -402.418 where: short stacking energy: -221.496 Base-Backbone interact. energy: 1.436 local terms energy: -421.087312 where: bonds (distance) C4'-P energy: -125.745 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -120.101 flat angles P-C4'-P energy: -71.445 tors. eta vs tors. theta energy: 32.883 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: 1, replica: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2653.026897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.026897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.026897 (E_RNA) where: Base-Base interactions energy: -1826.156 where: short stacking energy: -798.314 Base-Backbone interact. energy: -3.758 local terms energy: -823.112847 where: bonds (distance) C4'-P energy: -167.889 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -179.492 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -215.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2600.166978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.166978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.166978 (E_RNA) where: Base-Base interactions energy: -1781.166 where: short stacking energy: -797.752 Base-Backbone interact. energy: -2.959 local terms energy: -816.041814 where: bonds (distance) C4'-P energy: -160.484 bonds (distance) P-C4' energy: -162.060 flat angles C4'-P-C4' energy: -171.034 flat angles P-C4'-P energy: -127.069 tors. eta vs tors. theta energy: -195.395 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: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2534.636869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.636869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.636869 (E_RNA) where: Base-Base interactions energy: -1777.049 where: short stacking energy: -771.143 Base-Backbone interact. energy: -4.623 local terms energy: -752.964669 where: bonds (distance) C4'-P energy: -136.348 bonds (distance) P-C4' energy: -155.185 flat angles C4'-P-C4' energy: -168.509 flat angles P-C4'-P energy: -104.033 tors. eta vs tors. theta energy: -188.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2301.777117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.777117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.777117 (E_RNA) where: Base-Base interactions energy: -1549.972 where: short stacking energy: -701.619 Base-Backbone interact. energy: -1.683 local terms energy: -750.121989 where: bonds (distance) C4'-P energy: -138.208 bonds (distance) P-C4' energy: -147.366 flat angles C4'-P-C4' energy: -168.845 flat angles P-C4'-P energy: -108.852 tors. eta vs tors. theta energy: -186.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2221.674421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.674421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.674421 (E_RNA) where: Base-Base interactions energy: -1476.974 where: short stacking energy: -674.898 Base-Backbone interact. energy: -2.746 local terms energy: -741.954147 where: bonds (distance) C4'-P energy: -144.727 bonds (distance) P-C4' energy: -158.672 flat angles C4'-P-C4' energy: -173.435 flat angles P-C4'-P energy: -102.881 tors. eta vs tors. theta energy: -162.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1951.070006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.070006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.070006 (E_RNA) where: Base-Base interactions energy: -1264.395 where: short stacking energy: -571.935 Base-Backbone interact. energy: -3.369 local terms energy: -683.306475 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -140.965 flat angles C4'-P-C4' energy: -159.223 flat angles P-C4'-P energy: -92.519 tors. eta vs tors. theta energy: -143.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1739.356446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.356446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.356446 (E_RNA) where: Base-Base interactions energy: -1130.459 where: short stacking energy: -537.619 Base-Backbone interact. energy: -1.474 local terms energy: -607.423324 where: bonds (distance) C4'-P energy: -142.098 bonds (distance) P-C4' energy: -134.274 flat angles C4'-P-C4' energy: -160.425 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -93.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1548.922587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.922587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.922587 (E_RNA) where: Base-Base interactions energy: -975.045 where: short stacking energy: -459.843 Base-Backbone interact. energy: -3.355 local terms energy: -570.523280 where: bonds (distance) C4'-P energy: -154.563 bonds (distance) P-C4' energy: -157.993 flat angles C4'-P-C4' energy: -128.353 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -63.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1402.722117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.722117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.722117 (E_RNA) where: Base-Base interactions energy: -854.410 where: short stacking energy: -400.254 Base-Backbone interact. energy: 2.679 local terms energy: -550.990590 where: bonds (distance) C4'-P energy: -131.295 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -146.408 flat angles P-C4'-P energy: -76.541 tors. eta vs tors. theta energy: -50.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -850.068012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.068012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.068012 (E_RNA) where: Base-Base interactions energy: -418.916 where: short stacking energy: -241.006 Base-Backbone interact. energy: 2.594 local terms energy: -433.745858 where: bonds (distance) C4'-P energy: -131.860 bonds (distance) P-C4' energy: -126.902 flat angles C4'-P-C4' energy: -122.168 flat angles P-C4'-P energy: -59.589 tors. eta vs tors. theta energy: 6.773 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: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2623.404595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.404595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.404595 (E_RNA) where: Base-Base interactions energy: -1795.867 where: short stacking energy: -788.082 Base-Backbone interact. energy: 5.902 local terms energy: -833.439345 where: bonds (distance) C4'-P energy: -160.085 bonds (distance) P-C4' energy: -191.781 flat angles C4'-P-C4' energy: -181.983 flat angles P-C4'-P energy: -105.929 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2546.063563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.063563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.063563 (E_RNA) where: Base-Base interactions energy: -1746.384 where: short stacking energy: -794.601 Base-Backbone interact. energy: -2.353 local terms energy: -797.326108 where: bonds (distance) C4'-P energy: -153.476 bonds (distance) P-C4' energy: -180.162 flat angles C4'-P-C4' energy: -164.102 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -194.518 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: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2540.393409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.393409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.393409 (E_RNA) where: Base-Base interactions energy: -1753.078 where: short stacking energy: -756.917 Base-Backbone interact. energy: -5.733 local terms energy: -781.582866 where: bonds (distance) C4'-P energy: -149.142 bonds (distance) P-C4' energy: -165.047 flat angles C4'-P-C4' energy: -188.118 flat angles P-C4'-P energy: -95.618 tors. eta vs tors. theta energy: -183.658 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: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2337.878988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.878988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.878988 (E_RNA) where: Base-Base interactions energy: -1574.785 where: short stacking energy: -682.243 Base-Backbone interact. energy: -2.494 local terms energy: -760.600008 where: bonds (distance) C4'-P energy: -144.224 bonds (distance) P-C4' energy: -152.918 flat angles C4'-P-C4' energy: -181.656 flat angles P-C4'-P energy: -102.632 tors. eta vs tors. theta energy: -179.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2231.894552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.894552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.894552 (E_RNA) where: Base-Base interactions energy: -1510.859 where: short stacking energy: -669.328 Base-Backbone interact. energy: -1.252 local terms energy: -719.783658 where: bonds (distance) C4'-P energy: -150.504 bonds (distance) P-C4' energy: -125.672 flat angles C4'-P-C4' energy: -166.233 flat angles P-C4'-P energy: -108.334 tors. eta vs tors. theta energy: -169.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1996.102047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.102047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.102047 (E_RNA) where: Base-Base interactions energy: -1328.205 where: short stacking energy: -620.185 Base-Backbone interact. energy: 5.818 local terms energy: -673.714978 where: bonds (distance) C4'-P energy: -138.434 bonds (distance) P-C4' energy: -154.328 flat angles C4'-P-C4' energy: -144.877 flat angles P-C4'-P energy: -86.421 tors. eta vs tors. theta energy: -149.654 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: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1782.773546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.773546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.773546 (E_RNA) where: Base-Base interactions energy: -1166.785 where: short stacking energy: -536.785 Base-Backbone interact. energy: -0.221 local terms energy: -615.767310 where: bonds (distance) C4'-P energy: -123.934 bonds (distance) P-C4' energy: -154.025 flat angles C4'-P-C4' energy: -136.171 flat angles P-C4'-P energy: -83.723 tors. eta vs tors. theta energy: -117.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1635.316240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.316240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.316240 (E_RNA) where: Base-Base interactions energy: -1071.906 where: short stacking energy: -492.175 Base-Backbone interact. energy: -0.887 local terms energy: -562.522818 where: bonds (distance) C4'-P energy: -141.238 bonds (distance) P-C4' energy: -128.888 flat angles C4'-P-C4' energy: -134.293 flat angles P-C4'-P energy: -68.861 tors. eta vs tors. theta energy: -89.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1402.268718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.268718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.268718 (E_RNA) where: Base-Base interactions energy: -841.770 where: short stacking energy: -401.772 Base-Backbone interact. energy: -2.192 local terms energy: -558.306990 where: bonds (distance) C4'-P energy: -141.923 bonds (distance) P-C4' energy: -121.811 flat angles C4'-P-C4' energy: -142.399 flat angles P-C4'-P energy: -79.294 tors. eta vs tors. theta energy: -72.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -886.653000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.653000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.653000 (E_RNA) where: Base-Base interactions energy: -422.937 where: short stacking energy: -249.931 Base-Backbone interact. energy: -0.017 local terms energy: -463.699113 where: bonds (distance) C4'-P energy: -138.000 bonds (distance) P-C4' energy: -142.166 flat angles C4'-P-C4' energy: -107.821 flat angles P-C4'-P energy: -77.351 tors. eta vs tors. theta energy: 1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2649.885014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.885014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.885014 (E_RNA) where: Base-Base interactions energy: -1846.987 where: short stacking energy: -745.762 Base-Backbone interact. energy: 5.378 local terms energy: -808.276488 where: bonds (distance) C4'-P energy: -147.098 bonds (distance) P-C4' energy: -173.142 flat angles C4'-P-C4' energy: -181.568 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -199.804 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: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2617.598633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.598633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.598633 (E_RNA) where: Base-Base interactions energy: -1797.256 where: short stacking energy: -799.117 Base-Backbone interact. energy: -2.282 local terms energy: -818.060926 where: bonds (distance) C4'-P energy: -160.566 bonds (distance) P-C4' energy: -149.666 flat angles C4'-P-C4' energy: -183.355 flat angles P-C4'-P energy: -110.181 tors. eta vs tors. theta energy: -214.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2484.070981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.070981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.070981 (E_RNA) where: Base-Base interactions energy: -1676.932 where: short stacking energy: -734.918 Base-Backbone interact. energy: -1.533 local terms energy: -805.606442 where: bonds (distance) C4'-P energy: -163.147 bonds (distance) P-C4' energy: -150.278 flat angles C4'-P-C4' energy: -174.578 flat angles P-C4'-P energy: -123.409 tors. eta vs tors. theta energy: -194.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2357.597284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.597284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.597284 (E_RNA) where: Base-Base interactions energy: -1625.721 where: short stacking energy: -704.649 Base-Backbone interact. energy: 4.043 local terms energy: -735.919852 where: bonds (distance) C4'-P energy: -147.608 bonds (distance) P-C4' energy: -155.950 flat angles C4'-P-C4' energy: -159.108 flat angles P-C4'-P energy: -98.554 tors. eta vs tors. theta energy: -174.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2196.064947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.064947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.064947 (E_RNA) where: Base-Base interactions energy: -1468.674 where: short stacking energy: -643.551 Base-Backbone interact. energy: -1.115 local terms energy: -726.276368 where: bonds (distance) C4'-P energy: -141.454 bonds (distance) P-C4' energy: -154.507 flat angles C4'-P-C4' energy: -179.430 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -140.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2054.684902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.684902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.684902 (E_RNA) where: Base-Base interactions energy: -1374.505 where: short stacking energy: -591.396 Base-Backbone interact. energy: 1.748 local terms energy: -681.927498 where: bonds (distance) C4'-P energy: -150.848 bonds (distance) P-C4' energy: -150.008 flat angles C4'-P-C4' energy: -145.673 flat angles P-C4'-P energy: -103.653 tors. eta vs tors. theta energy: -131.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1768.205551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.205551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.205551 (E_RNA) where: Base-Base interactions energy: -1135.237 where: short stacking energy: -524.788 Base-Backbone interact. energy: 8.197 local terms energy: -641.166002 where: bonds (distance) C4'-P energy: -135.924 bonds (distance) P-C4' energy: -153.922 flat angles C4'-P-C4' energy: -147.028 flat angles P-C4'-P energy: -95.050 tors. eta vs tors. theta energy: -109.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1547.353987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.353987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.353987 (E_RNA) where: Base-Base interactions energy: -947.918 where: short stacking energy: -459.497 Base-Backbone interact. energy: 1.263 local terms energy: -600.699814 where: bonds (distance) C4'-P energy: -152.891 bonds (distance) P-C4' energy: -145.280 flat angles C4'-P-C4' energy: -131.690 flat angles P-C4'-P energy: -97.406 tors. eta vs tors. theta energy: -73.433 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: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1466.282505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.282505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.282505 (E_RNA) where: Base-Base interactions energy: -931.124 where: short stacking energy: -446.135 Base-Backbone interact. energy: 5.785 local terms energy: -540.943760 where: bonds (distance) C4'-P energy: -108.875 bonds (distance) P-C4' energy: -128.224 flat angles C4'-P-C4' energy: -144.521 flat angles P-C4'-P energy: -93.804 tors. eta vs tors. theta energy: -65.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -918.920808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.920808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.920808 (E_RNA) where: Base-Base interactions energy: -463.665 where: short stacking energy: -240.530 Base-Backbone interact. energy: 10.119 local terms energy: -465.374831 where: bonds (distance) C4'-P energy: -138.886 bonds (distance) P-C4' energy: -139.835 flat angles C4'-P-C4' energy: -125.691 flat angles P-C4'-P energy: -74.094 tors. eta vs tors. theta energy: 13.131 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: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2733.615126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.615126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.615126 (E_RNA) where: Base-Base interactions energy: -1851.391 where: short stacking energy: -880.403 Base-Backbone interact. energy: 1.197 local terms energy: -883.421482 where: bonds (distance) C4'-P energy: -165.447 bonds (distance) P-C4' energy: -173.164 flat angles C4'-P-C4' energy: -184.913 flat angles P-C4'-P energy: -134.694 tors. eta vs tors. theta energy: -225.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2596.129700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.129700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.129700 (E_RNA) where: Base-Base interactions energy: -1794.080 where: short stacking energy: -716.734 Base-Backbone interact. energy: -2.204 local terms energy: -799.846181 where: bonds (distance) C4'-P energy: -162.857 bonds (distance) P-C4' energy: -172.500 flat angles C4'-P-C4' energy: -165.227 flat angles P-C4'-P energy: -115.104 tors. eta vs tors. theta energy: -184.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2473.104631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.104631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.104631 (E_RNA) where: Base-Base interactions energy: -1689.815 where: short stacking energy: -714.221 Base-Backbone interact. energy: -3.952 local terms energy: -779.337119 where: bonds (distance) C4'-P energy: -144.119 bonds (distance) P-C4' energy: -163.155 flat angles C4'-P-C4' energy: -177.813 flat angles P-C4'-P energy: -116.971 tors. eta vs tors. theta energy: -177.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2337.873026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.873026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.873026 (E_RNA) where: Base-Base interactions energy: -1563.539 where: short stacking energy: -681.374 Base-Backbone interact. energy: 0.655 local terms energy: -774.989114 where: bonds (distance) C4'-P energy: -140.197 bonds (distance) P-C4' energy: -167.222 flat angles C4'-P-C4' energy: -181.580 flat angles P-C4'-P energy: -100.571 tors. eta vs tors. theta energy: -185.420 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2230.813922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.813922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.813922 (E_RNA) where: Base-Base interactions energy: -1491.297 where: short stacking energy: -688.511 Base-Backbone interact. energy: -1.049 local terms energy: -738.467202 where: bonds (distance) C4'-P energy: -144.434 bonds (distance) P-C4' energy: -156.273 flat angles C4'-P-C4' energy: -157.631 flat angles P-C4'-P energy: -118.609 tors. eta vs tors. theta energy: -161.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2063.631801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.631801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.631801 (E_RNA) where: Base-Base interactions energy: -1340.074 where: short stacking energy: -610.613 Base-Backbone interact. energy: 0.560 local terms energy: -724.117482 where: bonds (distance) C4'-P energy: -142.496 bonds (distance) P-C4' energy: -154.958 flat angles C4'-P-C4' energy: -173.471 flat angles P-C4'-P energy: -104.471 tors. eta vs tors. theta energy: -148.722 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: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1712.093796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.093796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.093796 (E_RNA) where: Base-Base interactions energy: -1095.947 where: short stacking energy: -494.617 Base-Backbone interact. energy: -0.179 local terms energy: -615.968494 where: bonds (distance) C4'-P energy: -149.422 bonds (distance) P-C4' energy: -131.174 flat angles C4'-P-C4' energy: -140.559 flat angles P-C4'-P energy: -98.127 tors. eta vs tors. theta energy: -96.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1614.486762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.486762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.486762 (E_RNA) where: Base-Base interactions energy: -1028.343 where: short stacking energy: -461.368 Base-Backbone interact. energy: 5.194 local terms energy: -591.338067 where: bonds (distance) C4'-P energy: -156.516 bonds (distance) P-C4' energy: -118.464 flat angles C4'-P-C4' energy: -137.702 flat angles P-C4'-P energy: -102.920 tors. eta vs tors. theta energy: -75.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1493.435135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.435135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.435135 (E_RNA) where: Base-Base interactions energy: -933.934 where: short stacking energy: -442.407 Base-Backbone interact. energy: 3.378 local terms energy: -562.878947 where: bonds (distance) C4'-P energy: -121.940 bonds (distance) P-C4' energy: -146.644 flat angles C4'-P-C4' energy: -152.139 flat angles P-C4'-P energy: -80.173 tors. eta vs tors. theta energy: -61.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -994.704173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.704173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.704173 (E_RNA) where: Base-Base interactions energy: -558.738 where: short stacking energy: -271.693 Base-Backbone interact. energy: 7.523 local terms energy: -443.490085 where: bonds (distance) C4'-P energy: -127.797 bonds (distance) P-C4' energy: -135.149 flat angles C4'-P-C4' energy: -127.708 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -11.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2782.907494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.907494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.907494 (E_RNA) where: Base-Base interactions energy: -1872.439 where: short stacking energy: -882.279 Base-Backbone interact. energy: -0.043 local terms energy: -910.425762 where: bonds (distance) C4'-P energy: -160.989 bonds (distance) P-C4' energy: -174.851 flat angles C4'-P-C4' energy: -202.217 flat angles P-C4'-P energy: -136.226 tors. eta vs tors. theta energy: -236.143 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: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2578.728152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.728152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.728152 (E_RNA) where: Base-Base interactions energy: -1768.625 where: short stacking energy: -763.008 Base-Backbone interact. energy: -2.096 local terms energy: -808.007223 where: bonds (distance) C4'-P energy: -161.899 bonds (distance) P-C4' energy: -162.994 flat angles C4'-P-C4' energy: -173.093 flat angles P-C4'-P energy: -114.484 tors. eta vs tors. theta energy: -195.538 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: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2478.442062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.442062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.442062 (E_RNA) where: Base-Base interactions energy: -1662.159 where: short stacking energy: -726.344 Base-Backbone interact. energy: -0.372 local terms energy: -815.911254 where: bonds (distance) C4'-P energy: -164.102 bonds (distance) P-C4' energy: -176.090 flat angles C4'-P-C4' energy: -179.409 flat angles P-C4'-P energy: -111.783 tors. eta vs tors. theta energy: -184.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2290.044187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.044187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.044187 (E_RNA) where: Base-Base interactions energy: -1534.110 where: short stacking energy: -694.644 Base-Backbone interact. energy: 3.534 local terms energy: -759.468473 where: bonds (distance) C4'-P energy: -145.990 bonds (distance) P-C4' energy: -152.053 flat angles C4'-P-C4' energy: -163.004 flat angles P-C4'-P energy: -117.414 tors. eta vs tors. theta energy: -181.007 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2226.821469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.821469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.821469 (E_RNA) where: Base-Base interactions energy: -1513.075 where: short stacking energy: -656.362 Base-Backbone interact. energy: 6.572 local terms energy: -720.318902 where: bonds (distance) C4'-P energy: -141.969 bonds (distance) P-C4' energy: -147.625 flat angles C4'-P-C4' energy: -169.525 flat angles P-C4'-P energy: -105.178 tors. eta vs tors. theta energy: -156.023 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: 69 Temperature: 1.150000 Total energy: -2105.525119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.525119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.525119 (E_RNA) where: Base-Base interactions energy: -1408.364 where: short stacking energy: -634.928 Base-Backbone interact. energy: 3.793 local terms energy: -700.954136 where: bonds (distance) C4'-P energy: -124.779 bonds (distance) P-C4' energy: -154.625 flat angles C4'-P-C4' energy: -153.255 flat angles P-C4'-P energy: -100.110 tors. eta vs tors. theta energy: -168.185 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: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1686.295100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.295100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.295100 (E_RNA) where: Base-Base interactions energy: -1061.037 where: short stacking energy: -495.881 Base-Backbone interact. energy: -4.780 local terms energy: -620.477578 where: bonds (distance) C4'-P energy: -144.852 bonds (distance) P-C4' energy: -152.103 flat angles C4'-P-C4' energy: -136.159 flat angles P-C4'-P energy: -101.147 tors. eta vs tors. theta energy: -86.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1633.235476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.235476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.235476 (E_RNA) where: Base-Base interactions energy: -1050.917 where: short stacking energy: -478.952 Base-Backbone interact. energy: -1.161 local terms energy: -581.157138 where: bonds (distance) C4'-P energy: -111.473 bonds (distance) P-C4' energy: -135.702 flat angles C4'-P-C4' energy: -141.388 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -87.548 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: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1444.826751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.826751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.826751 (E_RNA) where: Base-Base interactions energy: -903.395 where: short stacking energy: -424.093 Base-Backbone interact. energy: 1.985 local terms energy: -543.417338 where: bonds (distance) C4'-P energy: -150.756 bonds (distance) P-C4' energy: -149.009 flat angles C4'-P-C4' energy: -128.117 flat angles P-C4'-P energy: -75.972 tors. eta vs tors. theta energy: -39.563 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: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1040.431359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.431359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.431359 (E_RNA) where: Base-Base interactions energy: -592.196 where: short stacking energy: -305.560 Base-Backbone interact. energy: -1.973 local terms energy: -446.262461 where: bonds (distance) C4'-P energy: -123.665 bonds (distance) P-C4' energy: -123.922 flat angles C4'-P-C4' energy: -107.451 flat angles P-C4'-P energy: -86.941 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2779.466226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.466226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.466226 (E_RNA) where: Base-Base interactions energy: -1902.246 where: short stacking energy: -848.181 Base-Backbone interact. energy: 0.167 local terms energy: -877.386810 where: bonds (distance) C4'-P energy: -168.217 bonds (distance) P-C4' energy: -164.244 flat angles C4'-P-C4' energy: -182.141 flat angles P-C4'-P energy: -128.174 tors. eta vs tors. theta energy: -234.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2595.723394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.723394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.723394 (E_RNA) where: Base-Base interactions energy: -1780.432 where: short stacking energy: -773.488 Base-Backbone interact. energy: -5.488 local terms energy: -809.803775 where: bonds (distance) C4'-P energy: -148.485 bonds (distance) P-C4' energy: -175.770 flat angles C4'-P-C4' energy: -173.905 flat angles P-C4'-P energy: -117.632 tors. eta vs tors. theta energy: -194.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2515.662459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.662459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.662459 (E_RNA) where: Base-Base interactions energy: -1733.609 where: short stacking energy: -742.651 Base-Backbone interact. energy: -0.870 local terms energy: -781.183311 where: bonds (distance) C4'-P energy: -149.333 bonds (distance) P-C4' energy: -172.434 flat angles C4'-P-C4' energy: -166.690 flat angles P-C4'-P energy: -115.761 tors. eta vs tors. theta energy: -176.965 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: 70 Temperature: 1.050000 Total energy: -2286.785589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.785589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.785589 (E_RNA) where: Base-Base interactions energy: -1553.933 where: short stacking energy: -682.489 Base-Backbone interact. energy: 1.141 local terms energy: -733.993804 where: bonds (distance) C4'-P energy: -143.151 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -167.026 flat angles P-C4'-P energy: -115.878 tors. eta vs tors. theta energy: -158.882 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: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2241.979383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.979383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.979383 (E_RNA) where: Base-Base interactions energy: -1503.863 where: short stacking energy: -666.084 Base-Backbone interact. energy: 0.498 local terms energy: -738.615069 where: bonds (distance) C4'-P energy: -137.857 bonds (distance) P-C4' energy: -148.859 flat angles C4'-P-C4' energy: -180.939 flat angles P-C4'-P energy: -114.220 tors. eta vs tors. theta energy: -156.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2121.932688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.932688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.932688 (E_RNA) where: Base-Base interactions energy: -1409.571 where: short stacking energy: -622.183 Base-Backbone interact. energy: -2.486 local terms energy: -709.876380 where: bonds (distance) C4'-P energy: -138.496 bonds (distance) P-C4' energy: -146.601 flat angles C4'-P-C4' energy: -175.366 flat angles P-C4'-P energy: -97.306 tors. eta vs tors. theta energy: -152.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1707.256442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.256442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.256442 (E_RNA) where: Base-Base interactions energy: -1091.420 where: short stacking energy: -516.115 Base-Backbone interact. energy: -0.646 local terms energy: -615.190535 where: bonds (distance) C4'-P energy: -132.895 bonds (distance) P-C4' energy: -144.383 flat angles C4'-P-C4' energy: -167.961 flat angles P-C4'-P energy: -80.687 tors. eta vs tors. theta energy: -89.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1618.756914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.756914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.756914 (E_RNA) where: Base-Base interactions energy: -1034.154 where: short stacking energy: -512.810 Base-Backbone interact. energy: -2.152 local terms energy: -582.450182 where: bonds (distance) C4'-P energy: -112.714 bonds (distance) P-C4' energy: -145.213 flat angles C4'-P-C4' energy: -134.363 flat angles P-C4'-P energy: -97.935 tors. eta vs tors. theta energy: -92.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1417.267919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.267919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.267919 (E_RNA) where: Base-Base interactions energy: -867.283 where: short stacking energy: -420.698 Base-Backbone interact. energy: -0.871 local terms energy: -549.113601 where: bonds (distance) C4'-P energy: -137.964 bonds (distance) P-C4' energy: -126.375 flat angles C4'-P-C4' energy: -132.105 flat angles P-C4'-P energy: -103.904 tors. eta vs tors. theta energy: -48.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1005.314915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.314915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.314915 (E_RNA) where: Base-Base interactions energy: -551.584 where: short stacking energy: -294.445 Base-Backbone interact. energy: 2.964 local terms energy: -456.695862 where: bonds (distance) C4'-P energy: -147.025 bonds (distance) P-C4' energy: -127.859 flat angles C4'-P-C4' energy: -94.375 flat angles P-C4'-P energy: -77.365 tors. eta vs tors. theta energy: -10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2794.489226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.489226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.489226 (E_RNA) where: Base-Base interactions energy: -1894.591 where: short stacking energy: -838.109 Base-Backbone interact. energy: -2.327 local terms energy: -897.570790 where: bonds (distance) C4'-P energy: -174.406 bonds (distance) P-C4' energy: -178.133 flat angles C4'-P-C4' energy: -185.325 flat angles P-C4'-P energy: -131.209 tors. eta vs tors. theta energy: -228.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2581.814816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.814816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.814816 (E_RNA) where: Base-Base interactions energy: -1770.377 where: short stacking energy: -764.822 Base-Backbone interact. energy: -3.933 local terms energy: -807.505107 where: bonds (distance) C4'-P energy: -175.979 bonds (distance) P-C4' energy: -153.069 flat angles C4'-P-C4' energy: -177.199 flat angles P-C4'-P energy: -104.822 tors. eta vs tors. theta energy: -196.436 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: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2492.448890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.448890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.448890 (E_RNA) where: Base-Base interactions energy: -1715.694 where: short stacking energy: -699.055 Base-Backbone interact. energy: -2.561 local terms energy: -774.193641 where: bonds (distance) C4'-P energy: -146.196 bonds (distance) P-C4' energy: -164.266 flat angles C4'-P-C4' energy: -178.390 flat angles P-C4'-P energy: -113.101 tors. eta vs tors. theta energy: -172.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2305.822713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.822713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.822713 (E_RNA) where: Base-Base interactions energy: -1568.433 where: short stacking energy: -703.359 Base-Backbone interact. energy: -4.249 local terms energy: -733.140742 where: bonds (distance) C4'-P energy: -160.381 bonds (distance) P-C4' energy: -155.700 flat angles C4'-P-C4' energy: -159.475 flat angles P-C4'-P energy: -96.383 tors. eta vs tors. theta energy: -161.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2223.896693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.896693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.896693 (E_RNA) where: Base-Base interactions energy: -1503.845 where: short stacking energy: -621.094 Base-Backbone interact. energy: -2.700 local terms energy: -717.351835 where: bonds (distance) C4'-P energy: -140.069 bonds (distance) P-C4' energy: -166.018 flat angles C4'-P-C4' energy: -159.820 flat angles P-C4'-P energy: -113.268 tors. eta vs tors. theta energy: -138.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2144.732216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.732216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.732216 (E_RNA) where: Base-Base interactions energy: -1436.166 where: short stacking energy: -653.264 Base-Backbone interact. energy: -2.918 local terms energy: -705.647506 where: bonds (distance) C4'-P energy: -135.233 bonds (distance) P-C4' energy: -138.948 flat angles C4'-P-C4' energy: -170.110 flat angles P-C4'-P energy: -95.666 tors. eta vs tors. theta energy: -165.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1739.281504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.281504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.281504 (E_RNA) where: Base-Base interactions energy: -1113.692 where: short stacking energy: -501.623 Base-Backbone interact. energy: -1.969 local terms energy: -623.620999 where: bonds (distance) C4'-P energy: -152.590 bonds (distance) P-C4' energy: -147.852 flat angles C4'-P-C4' energy: -149.352 flat angles P-C4'-P energy: -80.683 tors. eta vs tors. theta energy: -93.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1653.377349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.377349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.377349 (E_RNA) where: Base-Base interactions energy: -1068.268 where: short stacking energy: -484.143 Base-Backbone interact. energy: -3.185 local terms energy: -581.924179 where: bonds (distance) C4'-P energy: -124.070 bonds (distance) P-C4' energy: -155.829 flat angles C4'-P-C4' energy: -142.920 flat angles P-C4'-P energy: -90.387 tors. eta vs tors. theta energy: -68.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1355.685772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.685772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.685772 (E_RNA) where: Base-Base interactions energy: -818.003 where: short stacking energy: -411.458 Base-Backbone interact. energy: 2.727 local terms energy: -540.409116 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -140.577 flat angles C4'-P-C4' energy: -142.380 flat angles P-C4'-P energy: -70.034 tors. eta vs tors. theta energy: -74.018 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: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1018.979593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.979593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.979593 (E_RNA) where: Base-Base interactions energy: -546.668 where: short stacking energy: -292.033 Base-Backbone interact. energy: 3.461 local terms energy: -475.772350 where: bonds (distance) C4'-P energy: -112.549 bonds (distance) P-C4' energy: -129.730 flat angles C4'-P-C4' energy: -150.095 flat angles P-C4'-P energy: -69.278 tors. eta vs tors. theta energy: -14.122 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: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2806.960648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.960648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.960648 (E_RNA) where: Base-Base interactions energy: -1930.568 where: short stacking energy: -870.045 Base-Backbone interact. energy: 1.828 local terms energy: -878.220831 where: bonds (distance) C4'-P energy: -168.112 bonds (distance) P-C4' energy: -149.665 flat angles C4'-P-C4' energy: -194.567 flat angles P-C4'-P energy: -136.878 tors. eta vs tors. theta energy: -228.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2624.642280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.642280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.642280 (E_RNA) where: Base-Base interactions energy: -1790.783 where: short stacking energy: -737.505 Base-Backbone interact. energy: 2.408 local terms energy: -836.268004 where: bonds (distance) C4'-P energy: -152.417 bonds (distance) P-C4' energy: -174.476 flat angles C4'-P-C4' energy: -187.678 flat angles P-C4'-P energy: -117.570 tors. eta vs tors. theta energy: -204.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2502.415577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.415577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.415577 (E_RNA) where: Base-Base interactions energy: -1752.267 where: short stacking energy: -743.558 Base-Backbone interact. energy: -2.580 local terms energy: -747.568711 where: bonds (distance) C4'-P energy: -145.322 bonds (distance) P-C4' energy: -158.982 flat angles C4'-P-C4' energy: -167.534 flat angles P-C4'-P energy: -110.134 tors. eta vs tors. theta energy: -165.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2330.722004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.722004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.722004 (E_RNA) where: Base-Base interactions energy: -1556.658 where: short stacking energy: -720.217 Base-Backbone interact. energy: -1.040 local terms energy: -773.023549 where: bonds (distance) C4'-P energy: -157.980 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -179.501 flat angles P-C4'-P energy: -107.772 tors. eta vs tors. theta energy: -182.104 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: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2207.883725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.883725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.883725 (E_RNA) where: Base-Base interactions energy: -1470.712 where: short stacking energy: -642.628 Base-Backbone interact. energy: 1.789 local terms energy: -738.960479 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -151.301 flat angles C4'-P-C4' energy: -167.365 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -168.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2188.492600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.492600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.492600 (E_RNA) where: Base-Base interactions energy: -1446.457 where: short stacking energy: -656.062 Base-Backbone interact. energy: -1.232 local terms energy: -740.803555 where: bonds (distance) C4'-P energy: -145.465 bonds (distance) P-C4' energy: -151.667 flat angles C4'-P-C4' energy: -160.818 flat angles P-C4'-P energy: -108.437 tors. eta vs tors. theta energy: -174.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1804.442348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.442348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.442348 (E_RNA) where: Base-Base interactions energy: -1179.824 where: short stacking energy: -500.214 Base-Backbone interact. energy: -1.727 local terms energy: -622.891944 where: bonds (distance) C4'-P energy: -136.775 bonds (distance) P-C4' energy: -146.719 flat angles C4'-P-C4' energy: -142.131 flat angles P-C4'-P energy: -86.303 tors. eta vs tors. theta energy: -110.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1671.793845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.793845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.793845 (E_RNA) where: Base-Base interactions energy: -1081.519 where: short stacking energy: -469.280 Base-Backbone interact. energy: 1.585 local terms energy: -591.860347 where: bonds (distance) C4'-P energy: -134.145 bonds (distance) P-C4' energy: -140.502 flat angles C4'-P-C4' energy: -150.844 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -88.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1407.485024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.485024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.485024 (E_RNA) where: Base-Base interactions energy: -853.157 where: short stacking energy: -394.743 Base-Backbone interact. energy: -1.578 local terms energy: -552.750023 where: bonds (distance) C4'-P energy: -146.201 bonds (distance) P-C4' energy: -133.492 flat angles C4'-P-C4' energy: -130.616 flat angles P-C4'-P energy: -76.378 tors. eta vs tors. theta energy: -66.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1089.360274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.360274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.360274 (E_RNA) where: Base-Base interactions energy: -615.447 where: short stacking energy: -308.974 Base-Backbone interact. energy: -2.282 local terms energy: -471.631559 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -160.188 flat angles C4'-P-C4' energy: -97.443 flat angles P-C4'-P energy: -81.926 tors. eta vs tors. theta energy: -6.599 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: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2801.337092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.337092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.337092 (E_RNA) where: Base-Base interactions energy: -1923.610 where: short stacking energy: -828.106 Base-Backbone interact. energy: 1.213 local terms energy: -878.939959 where: bonds (distance) C4'-P energy: -166.110 bonds (distance) P-C4' energy: -169.007 flat angles C4'-P-C4' energy: -188.735 flat angles P-C4'-P energy: -131.000 tors. eta vs tors. theta energy: -224.089 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: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2624.674068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.674068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.674068 (E_RNA) where: Base-Base interactions energy: -1769.166 where: short stacking energy: -756.946 Base-Backbone interact. energy: -4.759 local terms energy: -850.749123 where: bonds (distance) C4'-P energy: -153.049 bonds (distance) P-C4' energy: -181.865 flat angles C4'-P-C4' energy: -184.584 flat angles P-C4'-P energy: -131.972 tors. eta vs tors. theta energy: -199.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2576.021957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.021957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.021957 (E_RNA) where: Base-Base interactions energy: -1781.095 where: short stacking energy: -784.316 Base-Backbone interact. energy: 0.196 local terms energy: -795.123393 where: bonds (distance) C4'-P energy: -152.288 bonds (distance) P-C4' energy: -166.148 flat angles C4'-P-C4' energy: -158.525 flat angles P-C4'-P energy: -117.471 tors. eta vs tors. theta energy: -200.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2307.894311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.894311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.894311 (E_RNA) where: Base-Base interactions energy: -1551.158 where: short stacking energy: -711.970 Base-Backbone interact. energy: -2.178 local terms energy: -754.557535 where: bonds (distance) C4'-P energy: -149.017 bonds (distance) P-C4' energy: -158.461 flat angles C4'-P-C4' energy: -181.512 flat angles P-C4'-P energy: -100.289 tors. eta vs tors. theta energy: -165.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2152.248735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.248735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.248735 (E_RNA) where: Base-Base interactions energy: -1452.379 where: short stacking energy: -639.918 Base-Backbone interact. energy: 1.816 local terms energy: -701.685749 where: bonds (distance) C4'-P energy: -149.128 bonds (distance) P-C4' energy: -138.113 flat angles C4'-P-C4' energy: -159.931 flat angles P-C4'-P energy: -106.255 tors. eta vs tors. theta energy: -148.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2126.931988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.931988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.931988 (E_RNA) where: Base-Base interactions energy: -1412.737 where: short stacking energy: -617.919 Base-Backbone interact. energy: 0.033 local terms energy: -714.227652 where: bonds (distance) C4'-P energy: -151.806 bonds (distance) P-C4' energy: -172.744 flat angles C4'-P-C4' energy: -145.892 flat angles P-C4'-P energy: -99.209 tors. eta vs tors. theta energy: -144.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1836.740315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.740315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.740315 (E_RNA) where: Base-Base interactions energy: -1215.029 where: short stacking energy: -567.582 Base-Backbone interact. energy: 2.881 local terms energy: -624.592794 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -146.480 flat angles P-C4'-P energy: -76.484 tors. eta vs tors. theta energy: -130.174 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: 73 Temperature: 1.250000 Total energy: -1624.006424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.006424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.006424 (E_RNA) where: Base-Base interactions energy: -1051.039 where: short stacking energy: -485.929 Base-Backbone interact. energy: -3.841 local terms energy: -569.125716 where: bonds (distance) C4'-P energy: -134.082 bonds (distance) P-C4' energy: -123.574 flat angles C4'-P-C4' energy: -147.525 flat angles P-C4'-P energy: -81.805 tors. eta vs tors. theta energy: -82.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1370.356725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.356725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.356725 (E_RNA) where: Base-Base interactions energy: -843.319 where: short stacking energy: -404.194 Base-Backbone interact. energy: 4.070 local terms energy: -531.107786 where: bonds (distance) C4'-P energy: -136.711 bonds (distance) P-C4' energy: -138.143 flat angles C4'-P-C4' energy: -145.651 flat angles P-C4'-P energy: -72.289 tors. eta vs tors. theta energy: -38.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -978.148021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.148021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.148021 (E_RNA) where: Base-Base interactions energy: -539.693 where: short stacking energy: -288.014 Base-Backbone interact. energy: 3.483 local terms energy: -441.938118 where: bonds (distance) C4'-P energy: -118.710 bonds (distance) P-C4' energy: -120.090 flat angles C4'-P-C4' energy: -121.420 flat angles P-C4'-P energy: -61.460 tors. eta vs tors. theta energy: -20.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2792.937412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.937412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.937412 (E_RNA) where: Base-Base interactions energy: -1910.704 where: short stacking energy: -838.363 Base-Backbone interact. energy: 1.443 local terms energy: -883.676902 where: bonds (distance) C4'-P energy: -167.584 bonds (distance) P-C4' energy: -162.106 flat angles C4'-P-C4' energy: -193.365 flat angles P-C4'-P energy: -131.323 tors. eta vs tors. theta energy: -229.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2616.783921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.783921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.783921 (E_RNA) where: Base-Base interactions energy: -1771.435 where: short stacking energy: -764.981 Base-Backbone interact. energy: -2.884 local terms energy: -842.464498 where: bonds (distance) C4'-P energy: -174.983 bonds (distance) P-C4' energy: -170.018 flat angles C4'-P-C4' energy: -175.363 flat angles P-C4'-P energy: -122.610 tors. eta vs tors. theta energy: -199.492 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: 74 Temperature: 1.000000 Total energy: -2465.495369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.495369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.495369 (E_RNA) where: Base-Base interactions energy: -1687.508 where: short stacking energy: -725.454 Base-Backbone interact. energy: -5.182 local terms energy: -772.805607 where: bonds (distance) C4'-P energy: -161.664 bonds (distance) P-C4' energy: -162.612 flat angles C4'-P-C4' energy: -178.138 flat angles P-C4'-P energy: -89.843 tors. eta vs tors. theta energy: -180.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2376.020100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.020100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.020100 (E_RNA) where: Base-Base interactions energy: -1586.142 where: short stacking energy: -700.183 Base-Backbone interact. energy: -5.836 local terms energy: -784.041832 where: bonds (distance) C4'-P energy: -164.773 bonds (distance) P-C4' energy: -140.956 flat angles C4'-P-C4' energy: -182.732 flat angles P-C4'-P energy: -118.122 tors. eta vs tors. theta energy: -177.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2210.325047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.325047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.325047 (E_RNA) where: Base-Base interactions energy: -1459.268 where: short stacking energy: -668.649 Base-Backbone interact. energy: -1.772 local terms energy: -749.284545 where: bonds (distance) C4'-P energy: -150.746 bonds (distance) P-C4' energy: -144.431 flat angles C4'-P-C4' energy: -180.969 flat angles P-C4'-P energy: -99.795 tors. eta vs tors. theta energy: -173.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2083.290468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.290468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.290468 (E_RNA) where: Base-Base interactions energy: -1388.973 where: short stacking energy: -648.529 Base-Backbone interact. energy: -1.019 local terms energy: -693.298267 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -137.372 flat angles C4'-P-C4' energy: -140.943 flat angles P-C4'-P energy: -102.022 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: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1832.852494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.852494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.852494 (E_RNA) where: Base-Base interactions energy: -1217.381 where: short stacking energy: -490.802 Base-Backbone interact. energy: 3.399 local terms energy: -618.870703 where: bonds (distance) C4'-P energy: -139.268 bonds (distance) P-C4' energy: -135.369 flat angles C4'-P-C4' energy: -156.733 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -108.347 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: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1670.462160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.462160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.462160 (E_RNA) where: Base-Base interactions energy: -1133.321 where: short stacking energy: -492.349 Base-Backbone interact. energy: 2.304 local terms energy: -539.445271 where: bonds (distance) C4'-P energy: -119.559 bonds (distance) P-C4' energy: -118.428 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -66.446 tors. eta vs tors. theta energy: -87.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1423.534021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.534021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.534021 (E_RNA) where: Base-Base interactions energy: -850.041 where: short stacking energy: -376.325 Base-Backbone interact. energy: -0.670 local terms energy: -572.823233 where: bonds (distance) C4'-P energy: -140.439 bonds (distance) P-C4' energy: -143.487 flat angles C4'-P-C4' energy: -134.096 flat angles P-C4'-P energy: -97.619 tors. eta vs tors. theta energy: -57.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1033.345793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.345793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.345793 (E_RNA) where: Base-Base interactions energy: -584.321 where: short stacking energy: -317.899 Base-Backbone interact. energy: -5.143 local terms energy: -443.881237 where: bonds (distance) C4'-P energy: -116.490 bonds (distance) P-C4' energy: -126.438 flat angles C4'-P-C4' energy: -131.475 flat angles P-C4'-P energy: -75.353 tors. eta vs tors. theta energy: 5.874 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: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2818.875844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.875844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.875844 (E_RNA) where: Base-Base interactions energy: -1950.808 where: short stacking energy: -863.683 Base-Backbone interact. energy: -3.150 local terms energy: -864.918662 where: bonds (distance) C4'-P energy: -153.092 bonds (distance) P-C4' energy: -168.451 flat angles C4'-P-C4' energy: -182.352 flat angles P-C4'-P energy: -142.705 tors. eta vs tors. theta energy: -218.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2613.632046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.632046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.632046 (E_RNA) where: Base-Base interactions energy: -1792.943 where: short stacking energy: -764.344 Base-Backbone interact. energy: -6.103 local terms energy: -814.586212 where: bonds (distance) C4'-P energy: -167.394 bonds (distance) P-C4' energy: -161.935 flat angles C4'-P-C4' energy: -192.474 flat angles P-C4'-P energy: -96.338 tors. eta vs tors. theta energy: -196.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2488.895185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.895185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.895185 (E_RNA) where: Base-Base interactions energy: -1720.780 where: short stacking energy: -751.342 Base-Backbone interact. energy: 0.607 local terms energy: -768.722328 where: bonds (distance) C4'-P energy: -145.508 bonds (distance) P-C4' energy: -161.792 flat angles C4'-P-C4' energy: -171.217 flat angles P-C4'-P energy: -106.726 tors. eta vs tors. theta energy: -183.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2371.643635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.643635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.643635 (E_RNA) where: Base-Base interactions energy: -1596.517 where: short stacking energy: -722.315 Base-Backbone interact. energy: -1.056 local terms energy: -774.070992 where: bonds (distance) C4'-P energy: -137.602 bonds (distance) P-C4' energy: -166.229 flat angles C4'-P-C4' energy: -170.362 flat angles P-C4'-P energy: -111.338 tors. eta vs tors. theta energy: -188.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2219.943180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.943180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.943180 (E_RNA) where: Base-Base interactions energy: -1481.538 where: short stacking energy: -678.550 Base-Backbone interact. energy: -2.083 local terms energy: -736.321455 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -140.742 flat angles C4'-P-C4' energy: -171.823 flat angles P-C4'-P energy: -98.536 tors. eta vs tors. theta energy: -183.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2051.674212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.674212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.674212 (E_RNA) where: Base-Base interactions energy: -1360.138 where: short stacking energy: -614.586 Base-Backbone interact. energy: 1.304 local terms energy: -692.840523 where: bonds (distance) C4'-P energy: -126.194 bonds (distance) P-C4' energy: -147.241 flat angles C4'-P-C4' energy: -164.576 flat angles P-C4'-P energy: -102.116 tors. eta vs tors. theta energy: -152.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1781.112690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.112690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.112690 (E_RNA) where: Base-Base interactions energy: -1147.869 where: short stacking energy: -512.216 Base-Backbone interact. energy: 1.979 local terms energy: -635.222746 where: bonds (distance) C4'-P energy: -141.623 bonds (distance) P-C4' energy: -146.550 flat angles C4'-P-C4' energy: -139.706 flat angles P-C4'-P energy: -98.809 tors. eta vs tors. theta energy: -108.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1628.146275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.146275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.146275 (E_RNA) where: Base-Base interactions energy: -1014.772 where: short stacking energy: -475.244 Base-Backbone interact. energy: -2.239 local terms energy: -611.135266 where: bonds (distance) C4'-P energy: -135.542 bonds (distance) P-C4' energy: -143.962 flat angles C4'-P-C4' energy: -145.682 flat angles P-C4'-P energy: -105.704 tors. eta vs tors. theta energy: -80.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1370.561675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.561675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.561675 (E_RNA) where: Base-Base interactions energy: -859.672 where: short stacking energy: -444.550 Base-Backbone interact. energy: -1.230 local terms energy: -509.659881 where: bonds (distance) C4'-P energy: -119.631 bonds (distance) P-C4' energy: -128.628 flat angles C4'-P-C4' energy: -113.286 flat angles P-C4'-P energy: -69.319 tors. eta vs tors. theta energy: -78.795 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: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1039.572868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.572868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.572868 (E_RNA) where: Base-Base interactions energy: -578.891 where: short stacking energy: -333.888 Base-Backbone interact. energy: 2.966 local terms energy: -463.648251 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -126.872 flat angles C4'-P-C4' energy: -137.383 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -29.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2847.977964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.977964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.977964 (E_RNA) where: Base-Base interactions energy: -1959.951 where: short stacking energy: -852.914 Base-Backbone interact. energy: -2.267 local terms energy: -885.760064 where: bonds (distance) C4'-P energy: -147.284 bonds (distance) P-C4' energy: -174.843 flat angles C4'-P-C4' energy: -193.178 flat angles P-C4'-P energy: -130.202 tors. eta vs tors. theta energy: -240.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2623.896333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.896333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.896333 (E_RNA) where: Base-Base interactions energy: -1800.086 where: short stacking energy: -750.663 Base-Backbone interact. energy: -2.319 local terms energy: -821.491104 where: bonds (distance) C4'-P energy: -161.514 bonds (distance) P-C4' energy: -178.838 flat angles C4'-P-C4' energy: -184.915 flat angles P-C4'-P energy: -111.559 tors. eta vs tors. theta energy: -184.665 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: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2502.579684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.579684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.579684 (E_RNA) where: Base-Base interactions energy: -1715.142 where: short stacking energy: -724.370 Base-Backbone interact. energy: -4.624 local terms energy: -782.813547 where: bonds (distance) C4'-P energy: -174.213 bonds (distance) P-C4' energy: -162.301 flat angles C4'-P-C4' energy: -165.684 flat angles P-C4'-P energy: -102.658 tors. eta vs tors. theta energy: -177.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2354.494196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.494196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.494196 (E_RNA) where: Base-Base interactions energy: -1587.192 where: short stacking energy: -716.903 Base-Backbone interact. energy: -4.534 local terms energy: -762.768167 where: bonds (distance) C4'-P energy: -154.313 bonds (distance) P-C4' energy: -157.249 flat angles C4'-P-C4' energy: -160.648 flat angles P-C4'-P energy: -115.607 tors. eta vs tors. theta energy: -174.950 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: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2256.723278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.723278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.723278 (E_RNA) where: Base-Base interactions energy: -1541.209 where: short stacking energy: -696.000 Base-Backbone interact. energy: -1.794 local terms energy: -713.720271 where: bonds (distance) C4'-P energy: -119.958 bonds (distance) P-C4' energy: -155.996 flat angles C4'-P-C4' energy: -144.042 flat angles P-C4'-P energy: -116.097 tors. eta vs tors. theta energy: -177.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2065.649387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.649387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.649387 (E_RNA) where: Base-Base interactions energy: -1385.864 where: short stacking energy: -636.059 Base-Backbone interact. energy: -3.797 local terms energy: -675.988428 where: bonds (distance) C4'-P energy: -131.691 bonds (distance) P-C4' energy: -145.289 flat angles C4'-P-C4' energy: -156.660 flat angles P-C4'-P energy: -93.970 tors. eta vs tors. theta energy: -148.379 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: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1773.429207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.429207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.429207 (E_RNA) where: Base-Base interactions energy: -1137.214 where: short stacking energy: -526.158 Base-Backbone interact. energy: 1.255 local terms energy: -637.470710 where: bonds (distance) C4'-P energy: -111.621 bonds (distance) P-C4' energy: -152.097 flat angles C4'-P-C4' energy: -153.275 flat angles P-C4'-P energy: -91.411 tors. eta vs tors. theta energy: -129.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1686.207282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.207282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.207282 (E_RNA) where: Base-Base interactions energy: -1096.904 where: short stacking energy: -488.704 Base-Backbone interact. energy: 3.576 local terms energy: -592.879050 where: bonds (distance) C4'-P energy: -142.388 bonds (distance) P-C4' energy: -136.966 flat angles C4'-P-C4' energy: -130.366 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -96.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1383.694915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.694915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.694915 (E_RNA) where: Base-Base interactions energy: -848.429 where: short stacking energy: -416.410 Base-Backbone interact. energy: -2.895 local terms energy: -532.370684 where: bonds (distance) C4'-P energy: -121.340 bonds (distance) P-C4' energy: -147.543 flat angles C4'-P-C4' energy: -124.030 flat angles P-C4'-P energy: -91.281 tors. eta vs tors. theta energy: -48.176 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: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1022.726697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.726697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.726697 (E_RNA) where: Base-Base interactions energy: -576.415 where: short stacking energy: -320.831 Base-Backbone interact. energy: -0.303 local terms energy: -446.008499 where: bonds (distance) C4'-P energy: -99.894 bonds (distance) P-C4' energy: -135.499 flat angles C4'-P-C4' energy: -121.797 flat angles P-C4'-P energy: -69.020 tors. eta vs tors. theta energy: -19.799 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: 1, replica: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2867.853126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.853126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.853126 (E_RNA) where: Base-Base interactions energy: -1984.936 where: short stacking energy: -862.938 Base-Backbone interact. energy: -2.692 local terms energy: -880.225414 where: bonds (distance) C4'-P energy: -161.259 bonds (distance) P-C4' energy: -180.536 flat angles C4'-P-C4' energy: -176.330 flat angles P-C4'-P energy: -116.910 tors. eta vs tors. theta energy: -245.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2630.323542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.323542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.323542 (E_RNA) where: Base-Base interactions energy: -1810.284 where: short stacking energy: -775.662 Base-Backbone interact. energy: -0.741 local terms energy: -819.297843 where: bonds (distance) C4'-P energy: -139.718 bonds (distance) P-C4' energy: -168.093 flat angles C4'-P-C4' energy: -182.837 flat angles P-C4'-P energy: -125.819 tors. eta vs tors. theta energy: -202.830 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: 77 Temperature: 1.000000 Total energy: -2486.922660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.922660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.922660 (E_RNA) where: Base-Base interactions energy: -1687.083 where: short stacking energy: -715.907 Base-Backbone interact. energy: -0.277 local terms energy: -799.562720 where: bonds (distance) C4'-P energy: -156.599 bonds (distance) P-C4' energy: -171.402 flat angles C4'-P-C4' energy: -182.945 flat angles P-C4'-P energy: -112.036 tors. eta vs tors. theta energy: -176.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2442.328290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.328290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.328290 (E_RNA) where: Base-Base interactions energy: -1650.285 where: short stacking energy: -745.732 Base-Backbone interact. energy: -0.282 local terms energy: -791.761352 where: bonds (distance) C4'-P energy: -157.530 bonds (distance) P-C4' energy: -162.135 flat angles C4'-P-C4' energy: -173.360 flat angles P-C4'-P energy: -118.043 tors. eta vs tors. theta energy: -180.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2194.437341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.437341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.437341 (E_RNA) where: Base-Base interactions energy: -1489.406 where: short stacking energy: -650.668 Base-Backbone interact. energy: 1.361 local terms energy: -706.392611 where: bonds (distance) C4'-P energy: -126.871 bonds (distance) P-C4' energy: -147.939 flat angles C4'-P-C4' energy: -160.721 flat angles P-C4'-P energy: -106.982 tors. eta vs tors. theta energy: -163.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2045.902165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.902165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.902165 (E_RNA) where: Base-Base interactions energy: -1364.346 where: short stacking energy: -624.291 Base-Backbone interact. energy: -1.594 local terms energy: -679.962593 where: bonds (distance) C4'-P energy: -133.991 bonds (distance) P-C4' energy: -140.790 flat angles C4'-P-C4' energy: -152.137 flat angles P-C4'-P energy: -92.865 tors. eta vs tors. theta energy: -160.179 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: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1767.585127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.585127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.585127 (E_RNA) where: Base-Base interactions energy: -1134.764 where: short stacking energy: -492.689 Base-Backbone interact. energy: 1.155 local terms energy: -633.976296 where: bonds (distance) C4'-P energy: -145.546 bonds (distance) P-C4' energy: -164.315 flat angles C4'-P-C4' energy: -151.600 flat angles P-C4'-P energy: -87.372 tors. eta vs tors. theta energy: -85.143 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: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1685.621593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.621593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.621593 (E_RNA) where: Base-Base interactions energy: -1090.567 where: short stacking energy: -503.177 Base-Backbone interact. energy: -2.708 local terms energy: -592.347359 where: bonds (distance) C4'-P energy: -150.161 bonds (distance) P-C4' energy: -127.995 flat angles C4'-P-C4' energy: -127.582 flat angles P-C4'-P energy: -78.632 tors. eta vs tors. theta energy: -107.978 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: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1331.816387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.816387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.816387 (E_RNA) where: Base-Base interactions energy: -797.692 where: short stacking energy: -380.848 Base-Backbone interact. energy: 2.651 local terms energy: -536.776276 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -156.989 flat angles C4'-P-C4' energy: -119.515 flat angles P-C4'-P energy: -77.407 tors. eta vs tors. theta energy: -51.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -934.420998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.420998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.420998 (E_RNA) where: Base-Base interactions energy: -498.110 where: short stacking energy: -280.877 Base-Backbone interact. energy: 4.397 local terms energy: -440.707473 where: bonds (distance) C4'-P energy: -133.718 bonds (distance) P-C4' energy: -132.124 flat angles C4'-P-C4' energy: -113.429 flat angles P-C4'-P energy: -59.523 tors. eta vs tors. theta energy: -1.913 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: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2851.887167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.887167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.887167 (E_RNA) where: Base-Base interactions energy: -1990.259 where: short stacking energy: -856.801 Base-Backbone interact. energy: -0.649 local terms energy: -860.978661 where: bonds (distance) C4'-P energy: -164.011 bonds (distance) P-C4' energy: -150.194 flat angles C4'-P-C4' energy: -191.588 flat angles P-C4'-P energy: -132.674 tors. eta vs tors. theta energy: -222.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2692.205457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.205457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.205457 (E_RNA) where: Base-Base interactions energy: -1836.983 where: short stacking energy: -822.432 Base-Backbone interact. energy: 0.984 local terms energy: -856.207217 where: bonds (distance) C4'-P energy: -165.844 bonds (distance) P-C4' energy: -173.231 flat angles C4'-P-C4' energy: -188.713 flat angles P-C4'-P energy: -114.464 tors. eta vs tors. theta energy: -213.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2445.139079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.139079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.139079 (E_RNA) where: Base-Base interactions energy: -1664.296 where: short stacking energy: -724.729 Base-Backbone interact. energy: -3.946 local terms energy: -776.897233 where: bonds (distance) C4'-P energy: -156.247 bonds (distance) P-C4' energy: -151.629 flat angles C4'-P-C4' energy: -179.559 flat angles P-C4'-P energy: -99.680 tors. eta vs tors. theta energy: -189.781 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: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2417.082770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.082770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.082770 (E_RNA) where: Base-Base interactions energy: -1627.805 where: short stacking energy: -764.027 Base-Backbone interact. energy: 3.700 local terms energy: -792.977368 where: bonds (distance) C4'-P energy: -150.273 bonds (distance) P-C4' energy: -154.443 flat angles C4'-P-C4' energy: -180.142 flat angles P-C4'-P energy: -116.848 tors. eta vs tors. theta energy: -191.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2269.004702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.004702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.004702 (E_RNA) where: Base-Base interactions energy: -1517.650 where: short stacking energy: -681.848 Base-Backbone interact. energy: -1.979 local terms energy: -749.375534 where: bonds (distance) C4'-P energy: -145.315 bonds (distance) P-C4' energy: -156.605 flat angles C4'-P-C4' energy: -166.824 flat angles P-C4'-P energy: -96.150 tors. eta vs tors. theta energy: -184.482 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: 78 Temperature: 1.150000 Total energy: -2021.220639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.220639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.220639 (E_RNA) where: Base-Base interactions energy: -1313.183 where: short stacking energy: -616.200 Base-Backbone interact. energy: -2.199 local terms energy: -705.838676 where: bonds (distance) C4'-P energy: -162.780 bonds (distance) P-C4' energy: -132.513 flat angles C4'-P-C4' energy: -152.839 flat angles P-C4'-P energy: -116.652 tors. eta vs tors. theta energy: -141.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1744.317639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.317639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.317639 (E_RNA) where: Base-Base interactions energy: -1131.376 where: short stacking energy: -516.015 Base-Backbone interact. energy: 0.271 local terms energy: -613.212927 where: bonds (distance) C4'-P energy: -130.228 bonds (distance) P-C4' energy: -149.693 flat angles C4'-P-C4' energy: -149.260 flat angles P-C4'-P energy: -88.974 tors. eta vs tors. theta energy: -95.059 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: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1642.699702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.699702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.699702 (E_RNA) where: Base-Base interactions energy: -1074.146 where: short stacking energy: -524.374 Base-Backbone interact. energy: 2.448 local terms energy: -571.001908 where: bonds (distance) C4'-P energy: -121.079 bonds (distance) P-C4' energy: -150.308 flat angles C4'-P-C4' energy: -141.896 flat angles P-C4'-P energy: -61.006 tors. eta vs tors. theta energy: -96.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1355.274450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.274450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.274450 (E_RNA) where: Base-Base interactions energy: -834.144 where: short stacking energy: -397.702 Base-Backbone interact. energy: -1.421 local terms energy: -519.709355 where: bonds (distance) C4'-P energy: -107.061 bonds (distance) P-C4' energy: -123.697 flat angles C4'-P-C4' energy: -138.629 flat angles P-C4'-P energy: -94.958 tors. eta vs tors. theta energy: -55.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -944.810330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.810330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.810330 (E_RNA) where: Base-Base interactions energy: -524.235 where: short stacking energy: -285.766 Base-Backbone interact. energy: 6.021 local terms energy: -426.596982 where: bonds (distance) C4'-P energy: -116.001 bonds (distance) P-C4' energy: -129.151 flat angles C4'-P-C4' energy: -114.066 flat angles P-C4'-P energy: -75.049 tors. eta vs tors. theta energy: 7.671 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: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2850.962950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.962950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.962950 (E_RNA) where: Base-Base interactions energy: -1996.305 where: short stacking energy: -872.716 Base-Backbone interact. energy: -2.209 local terms energy: -852.448660 where: bonds (distance) C4'-P energy: -164.024 bonds (distance) P-C4' energy: -166.175 flat angles C4'-P-C4' energy: -176.707 flat angles P-C4'-P energy: -108.097 tors. eta vs tors. theta energy: -237.446 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: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2620.813769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.813769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.813769 (E_RNA) where: Base-Base interactions energy: -1813.453 where: short stacking energy: -775.338 Base-Backbone interact. energy: -3.867 local terms energy: -803.493662 where: bonds (distance) C4'-P energy: -143.782 bonds (distance) P-C4' energy: -153.128 flat angles C4'-P-C4' energy: -185.461 flat angles P-C4'-P energy: -124.489 tors. eta vs tors. theta energy: -196.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2515.326673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.326673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.326673 (E_RNA) where: Base-Base interactions energy: -1730.680 where: short stacking energy: -764.850 Base-Backbone interact. energy: 3.295 local terms energy: -787.941555 where: bonds (distance) C4'-P energy: -146.684 bonds (distance) P-C4' energy: -162.342 flat angles C4'-P-C4' energy: -176.544 flat angles P-C4'-P energy: -118.891 tors. eta vs tors. theta energy: -183.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2433.883386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.883386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.883386 (E_RNA) where: Base-Base interactions energy: -1656.564 where: short stacking energy: -752.864 Base-Backbone interact. energy: 1.032 local terms energy: -778.352305 where: bonds (distance) C4'-P energy: -153.311 bonds (distance) P-C4' energy: -159.630 flat angles C4'-P-C4' energy: -174.912 flat angles P-C4'-P energy: -110.353 tors. eta vs tors. theta energy: -180.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2212.710791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.710791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.710791 (E_RNA) where: Base-Base interactions energy: -1460.023 where: short stacking energy: -649.634 Base-Backbone interact. energy: 6.057 local terms energy: -758.743987 where: bonds (distance) C4'-P energy: -154.347 bonds (distance) P-C4' energy: -159.921 flat angles C4'-P-C4' energy: -170.169 flat angles P-C4'-P energy: -113.648 tors. eta vs tors. theta energy: -160.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2076.050322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.050322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.050322 (E_RNA) where: Base-Base interactions energy: -1368.710 where: short stacking energy: -628.791 Base-Backbone interact. energy: -0.943 local terms energy: -706.397621 where: bonds (distance) C4'-P energy: -134.987 bonds (distance) P-C4' energy: -145.795 flat angles C4'-P-C4' energy: -155.897 flat angles P-C4'-P energy: -108.641 tors. eta vs tors. theta energy: -161.077 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: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1725.501316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.501316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.501316 (E_RNA) where: Base-Base interactions energy: -1116.334 where: short stacking energy: -520.334 Base-Backbone interact. energy: 0.670 local terms energy: -609.837487 where: bonds (distance) C4'-P energy: -140.592 bonds (distance) P-C4' energy: -148.307 flat angles C4'-P-C4' energy: -138.317 flat angles P-C4'-P energy: -73.698 tors. eta vs tors. theta energy: -108.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1583.720797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.720797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.720797 (E_RNA) where: Base-Base interactions energy: -1022.688 where: short stacking energy: -466.204 Base-Backbone interact. energy: -1.242 local terms energy: -559.791013 where: bonds (distance) C4'-P energy: -124.694 bonds (distance) P-C4' energy: -138.989 flat angles C4'-P-C4' energy: -141.868 flat angles P-C4'-P energy: -73.949 tors. eta vs tors. theta energy: -80.291 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: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1295.163638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.163638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.163638 (E_RNA) where: Base-Base interactions energy: -791.846 where: short stacking energy: -405.410 Base-Backbone interact. energy: -1.752 local terms energy: -501.565682 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -143.319 flat angles C4'-P-C4' energy: -114.692 flat angles P-C4'-P energy: -52.850 tors. eta vs tors. theta energy: -57.068 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: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -975.676620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.676620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.676620 (E_RNA) where: Base-Base interactions energy: -525.521 where: short stacking energy: -325.515 Base-Backbone interact. energy: -1.090 local terms energy: -449.066081 where: bonds (distance) C4'-P energy: -113.993 bonds (distance) P-C4' energy: -144.203 flat angles C4'-P-C4' energy: -108.048 flat angles P-C4'-P energy: -60.033 tors. eta vs tors. theta energy: -22.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2869.694211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.694211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.694211 (E_RNA) where: Base-Base interactions energy: -2020.067 where: short stacking energy: -864.002 Base-Backbone interact. energy: -2.738 local terms energy: -846.889259 where: bonds (distance) C4'-P energy: -162.696 bonds (distance) P-C4' energy: -166.517 flat angles C4'-P-C4' energy: -180.860 flat angles P-C4'-P energy: -100.176 tors. eta vs tors. theta energy: -236.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2626.480318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.480318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.480318 (E_RNA) where: Base-Base interactions energy: -1769.815 where: short stacking energy: -775.814 Base-Backbone interact. energy: -1.784 local terms energy: -854.881280 where: bonds (distance) C4'-P energy: -163.820 bonds (distance) P-C4' energy: -188.164 flat angles C4'-P-C4' energy: -185.855 flat angles P-C4'-P energy: -115.749 tors. eta vs tors. theta energy: -201.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2488.340266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.340266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.340266 (E_RNA) where: Base-Base interactions energy: -1746.979 where: short stacking energy: -740.562 Base-Backbone interact. energy: 1.817 local terms energy: -743.179185 where: bonds (distance) C4'-P energy: -153.418 bonds (distance) P-C4' energy: -162.570 flat angles C4'-P-C4' energy: -153.290 flat angles P-C4'-P energy: -103.637 tors. eta vs tors. theta energy: -170.264 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: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2456.775240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.775240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.775240 (E_RNA) where: Base-Base interactions energy: -1647.861 where: short stacking energy: -739.081 Base-Backbone interact. energy: 0.744 local terms energy: -809.658038 where: bonds (distance) C4'-P energy: -162.455 bonds (distance) P-C4' energy: -153.731 flat angles C4'-P-C4' energy: -188.543 flat angles P-C4'-P energy: -116.181 tors. eta vs tors. theta energy: -188.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2232.734227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.734227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.734227 (E_RNA) where: Base-Base interactions energy: -1525.541 where: short stacking energy: -695.253 Base-Backbone interact. energy: 9.330 local terms energy: -716.522806 where: bonds (distance) C4'-P energy: -156.713 bonds (distance) P-C4' energy: -150.303 flat angles C4'-P-C4' energy: -156.154 flat angles P-C4'-P energy: -80.168 tors. eta vs tors. theta energy: -173.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2017.863796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.863796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.863796 (E_RNA) where: Base-Base interactions energy: -1334.191 where: short stacking energy: -580.356 Base-Backbone interact. energy: -4.040 local terms energy: -679.633140 where: bonds (distance) C4'-P energy: -130.874 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -166.815 flat angles P-C4'-P energy: -98.284 tors. eta vs tors. theta energy: -141.751 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: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1793.987139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.987139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.987139 (E_RNA) where: Base-Base interactions energy: -1145.303 where: short stacking energy: -560.748 Base-Backbone interact. energy: 3.012 local terms energy: -651.696304 where: bonds (distance) C4'-P energy: -141.067 bonds (distance) P-C4' energy: -119.188 flat angles C4'-P-C4' energy: -167.314 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -131.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1612.006679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.006679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.006679 (E_RNA) where: Base-Base interactions energy: -1033.252 where: short stacking energy: -485.573 Base-Backbone interact. energy: 3.581 local terms energy: -582.335033 where: bonds (distance) C4'-P energy: -116.161 bonds (distance) P-C4' energy: -153.164 flat angles C4'-P-C4' energy: -137.124 flat angles P-C4'-P energy: -81.122 tors. eta vs tors. theta energy: -94.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1398.925064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.925064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.925064 (E_RNA) where: Base-Base interactions energy: -854.958 where: short stacking energy: -395.910 Base-Backbone interact. energy: 10.508 local terms energy: -554.475279 where: bonds (distance) C4'-P energy: -146.965 bonds (distance) P-C4' energy: -148.719 flat angles C4'-P-C4' energy: -120.308 flat angles P-C4'-P energy: -82.769 tors. eta vs tors. theta energy: -55.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1028.646741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.646741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.646741 (E_RNA) where: Base-Base interactions energy: -554.060 where: short stacking energy: -302.376 Base-Backbone interact. energy: 0.267 local terms energy: -474.854094 where: bonds (distance) C4'-P energy: -134.038 bonds (distance) P-C4' energy: -140.144 flat angles C4'-P-C4' energy: -123.814 flat angles P-C4'-P energy: -67.256 tors. eta vs tors. theta energy: -9.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2895.775372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.775372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.775372 (E_RNA) where: Base-Base interactions energy: -1996.888 where: short stacking energy: -879.770 Base-Backbone interact. energy: -3.182 local terms energy: -895.705487 where: bonds (distance) C4'-P energy: -176.093 bonds (distance) P-C4' energy: -160.957 flat angles C4'-P-C4' energy: -190.726 flat angles P-C4'-P energy: -132.190 tors. eta vs tors. theta energy: -235.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2579.089434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.089434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.089434 (E_RNA) where: Base-Base interactions energy: -1781.184 where: short stacking energy: -735.287 Base-Backbone interact. energy: -5.324 local terms energy: -792.581269 where: bonds (distance) C4'-P energy: -153.028 bonds (distance) P-C4' energy: -145.033 flat angles C4'-P-C4' energy: -184.325 flat angles P-C4'-P energy: -119.098 tors. eta vs tors. theta energy: -191.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2514.723762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.723762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.723762 (E_RNA) where: Base-Base interactions energy: -1715.938 where: short stacking energy: -763.319 Base-Backbone interact. energy: -7.845 local terms energy: -790.940475 where: bonds (distance) C4'-P energy: -148.277 bonds (distance) P-C4' energy: -161.319 flat angles C4'-P-C4' energy: -184.030 flat angles P-C4'-P energy: -115.581 tors. eta vs tors. theta energy: -181.734 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: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2468.463102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.463102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.463102 (E_RNA) where: Base-Base interactions energy: -1667.810 where: short stacking energy: -747.373 Base-Backbone interact. energy: -5.480 local terms energy: -795.173353 where: bonds (distance) C4'-P energy: -156.561 bonds (distance) P-C4' energy: -144.942 flat angles C4'-P-C4' energy: -182.243 flat angles P-C4'-P energy: -124.085 tors. eta vs tors. theta energy: -187.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2229.291263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.291263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.291263 (E_RNA) where: Base-Base interactions energy: -1523.674 where: short stacking energy: -690.393 Base-Backbone interact. energy: -0.211 local terms energy: -705.406530 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -166.083 flat angles C4'-P-C4' energy: -163.819 flat angles P-C4'-P energy: -74.773 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: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2043.676276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.676276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.676276 (E_RNA) where: Base-Base interactions energy: -1367.135 where: short stacking energy: -609.542 Base-Backbone interact. energy: 0.040 local terms energy: -676.581175 where: bonds (distance) C4'-P energy: -128.906 bonds (distance) P-C4' energy: -150.755 flat angles C4'-P-C4' energy: -158.673 flat angles P-C4'-P energy: -93.987 tors. eta vs tors. theta energy: -144.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1801.683865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.683865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.683865 (E_RNA) where: Base-Base interactions energy: -1122.970 where: short stacking energy: -497.716 Base-Backbone interact. energy: 3.534 local terms energy: -682.247494 where: bonds (distance) C4'-P energy: -162.353 bonds (distance) P-C4' energy: -165.970 flat angles C4'-P-C4' energy: -154.149 flat angles P-C4'-P energy: -90.643 tors. eta vs tors. theta energy: -109.133 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: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1669.888993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.888993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.888993 (E_RNA) where: Base-Base interactions energy: -1088.665 where: short stacking energy: -504.379 Base-Backbone interact. energy: -2.756 local terms energy: -578.468335 where: bonds (distance) C4'-P energy: -123.997 bonds (distance) P-C4' energy: -148.406 flat angles C4'-P-C4' energy: -134.201 flat angles P-C4'-P energy: -82.012 tors. eta vs tors. theta energy: -89.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1453.332563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.332563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.332563 (E_RNA) where: Base-Base interactions energy: -911.666 where: short stacking energy: -413.494 Base-Backbone interact. energy: 1.838 local terms energy: -543.504523 where: bonds (distance) C4'-P energy: -126.375 bonds (distance) P-C4' energy: -142.828 flat angles C4'-P-C4' energy: -138.386 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: -61.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1037.103137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.103137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.103137 (E_RNA) where: Base-Base interactions energy: -572.780 where: short stacking energy: -274.761 Base-Backbone interact. energy: -0.099 local terms energy: -464.224940 where: bonds (distance) C4'-P energy: -137.351 bonds (distance) P-C4' energy: -127.871 flat angles C4'-P-C4' energy: -129.950 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2869.017020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.017020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.017020 (E_RNA) where: Base-Base interactions energy: -1964.958 where: short stacking energy: -829.562 Base-Backbone interact. energy: -2.390 local terms energy: -901.668757 where: bonds (distance) C4'-P energy: -171.886 bonds (distance) P-C4' energy: -177.193 flat angles C4'-P-C4' energy: -193.104 flat angles P-C4'-P energy: -136.706 tors. eta vs tors. theta energy: -222.780 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: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2624.871143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.871143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.871143 (E_RNA) where: Base-Base interactions energy: -1790.783 where: short stacking energy: -777.810 Base-Backbone interact. energy: 3.204 local terms energy: -837.293112 where: bonds (distance) C4'-P energy: -154.983 bonds (distance) P-C4' energy: -179.025 flat angles C4'-P-C4' energy: -177.695 flat angles P-C4'-P energy: -110.014 tors. eta vs tors. theta energy: -215.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2499.318100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.318100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.318100 (E_RNA) where: Base-Base interactions energy: -1735.885 where: short stacking energy: -730.865 Base-Backbone interact. energy: -0.148 local terms energy: -763.285191 where: bonds (distance) C4'-P energy: -146.340 bonds (distance) P-C4' energy: -170.213 flat angles C4'-P-C4' energy: -167.614 flat angles P-C4'-P energy: -107.465 tors. eta vs tors. theta energy: -171.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2438.839485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.839485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.839485 (E_RNA) where: Base-Base interactions energy: -1663.016 where: short stacking energy: -737.267 Base-Backbone interact. energy: -3.271 local terms energy: -772.552017 where: bonds (distance) C4'-P energy: -142.312 bonds (distance) P-C4' energy: -155.980 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -124.046 tors. eta vs tors. theta energy: -184.717 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: 5, replica: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2217.532604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.532604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.532604 (E_RNA) where: Base-Base interactions energy: -1489.591 where: short stacking energy: -683.878 Base-Backbone interact. energy: -0.584 local terms energy: -727.357210 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -157.041 flat angles C4'-P-C4' energy: -168.487 flat angles P-C4'-P energy: -94.305 tors. eta vs tors. theta energy: -168.166 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: 6, replica: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1980.387027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.387027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.387027 (E_RNA) where: Base-Base interactions energy: -1319.707 where: short stacking energy: -577.317 Base-Backbone interact. energy: 0.411 local terms energy: -661.091817 where: bonds (distance) C4'-P energy: -142.692 bonds (distance) P-C4' energy: -155.674 flat angles C4'-P-C4' energy: -133.292 flat angles P-C4'-P energy: -106.206 tors. eta vs tors. theta energy: -123.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1732.012575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.012575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.012575 (E_RNA) where: Base-Base interactions energy: -1100.064 where: short stacking energy: -492.487 Base-Backbone interact. energy: 0.986 local terms energy: -632.934352 where: bonds (distance) C4'-P energy: -142.900 bonds (distance) P-C4' energy: -134.052 flat angles C4'-P-C4' energy: -169.375 flat angles P-C4'-P energy: -87.867 tors. eta vs tors. theta energy: -98.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1688.638867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.638867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.638867 (E_RNA) where: Base-Base interactions energy: -1098.712 where: short stacking energy: -517.735 Base-Backbone interact. energy: -1.857 local terms energy: -588.070043 where: bonds (distance) C4'-P energy: -127.950 bonds (distance) P-C4' energy: -135.042 flat angles C4'-P-C4' energy: -144.917 flat angles P-C4'-P energy: -67.885 tors. eta vs tors. theta energy: -112.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1433.252371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.252371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.252371 (E_RNA) where: Base-Base interactions energy: -909.622 where: short stacking energy: -411.322 Base-Backbone interact. energy: -1.413 local terms energy: -522.217266 where: bonds (distance) C4'-P energy: -134.220 bonds (distance) P-C4' energy: -110.057 flat angles C4'-P-C4' energy: -131.361 flat angles P-C4'-P energy: -81.554 tors. eta vs tors. theta energy: -65.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1100.237436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.237436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.237436 (E_RNA) where: Base-Base interactions energy: -612.253 where: short stacking energy: -314.102 Base-Backbone interact. energy: -1.054 local terms energy: -486.931347 where: bonds (distance) C4'-P energy: -130.934 bonds (distance) P-C4' energy: -145.052 flat angles C4'-P-C4' energy: -121.568 flat angles P-C4'-P energy: -70.897 tors. eta vs tors. theta energy: -18.481 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: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2888.738662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.738662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.738662 (E_RNA) where: Base-Base interactions energy: -2013.121 where: short stacking energy: -891.010 Base-Backbone interact. energy: -4.576 local terms energy: -871.041262 where: bonds (distance) C4'-P energy: -161.091 bonds (distance) P-C4' energy: -170.556 flat angles C4'-P-C4' energy: -197.784 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -238.975 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: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2650.695279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.695279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.695279 (E_RNA) where: Base-Base interactions energy: -1823.934 where: short stacking energy: -808.167 Base-Backbone interact. energy: -4.576 local terms energy: -822.185523 where: bonds (distance) C4'-P energy: -155.847 bonds (distance) P-C4' energy: -148.771 flat angles C4'-P-C4' energy: -199.113 flat angles P-C4'-P energy: -107.974 tors. eta vs tors. theta energy: -210.481 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: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2486.861999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.861999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.861999 (E_RNA) where: Base-Base interactions energy: -1710.950 where: short stacking energy: -751.902 Base-Backbone interact. energy: -2.179 local terms energy: -773.733493 where: bonds (distance) C4'-P energy: -143.824 bonds (distance) P-C4' energy: -156.141 flat angles C4'-P-C4' energy: -171.741 flat angles P-C4'-P energy: -116.890 tors. eta vs tors. theta energy: -185.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2504.558803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.558803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.558803 (E_RNA) where: Base-Base interactions energy: -1722.024 where: short stacking energy: -767.036 Base-Backbone interact. energy: -1.979 local terms energy: -780.555688 where: bonds (distance) C4'-P energy: -148.853 bonds (distance) P-C4' energy: -153.969 flat angles C4'-P-C4' energy: -177.411 flat angles P-C4'-P energy: -113.997 tors. eta vs tors. theta energy: -186.326 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: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2168.499093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.499093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.499093 (E_RNA) where: Base-Base interactions energy: -1456.689 where: short stacking energy: -662.544 Base-Backbone interact. energy: 0.400 local terms energy: -712.209555 where: bonds (distance) C4'-P energy: -131.506 bonds (distance) P-C4' energy: -142.619 flat angles C4'-P-C4' energy: -169.051 flat angles P-C4'-P energy: -115.339 tors. eta vs tors. theta energy: -153.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2090.206686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.206686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.206686 (E_RNA) where: Base-Base interactions energy: -1383.594 where: short stacking energy: -594.127 Base-Backbone interact. energy: 0.129 local terms energy: -706.741444 where: bonds (distance) C4'-P energy: -154.441 bonds (distance) P-C4' energy: -149.512 flat angles C4'-P-C4' energy: -134.021 flat angles P-C4'-P energy: -117.008 tors. eta vs tors. theta energy: -151.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1808.236182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.236182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.236182 (E_RNA) where: Base-Base interactions energy: -1198.030 where: short stacking energy: -546.382 Base-Backbone interact. energy: -3.029 local terms energy: -607.177128 where: bonds (distance) C4'-P energy: -122.997 bonds (distance) P-C4' energy: -145.759 flat angles C4'-P-C4' energy: -149.923 flat angles P-C4'-P energy: -88.831 tors. eta vs tors. theta energy: -99.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1744.770000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.770000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.770000 (E_RNA) where: Base-Base interactions energy: -1138.408 where: short stacking energy: -537.305 Base-Backbone interact. energy: -2.417 local terms energy: -603.944998 where: bonds (distance) C4'-P energy: -140.880 bonds (distance) P-C4' energy: -137.097 flat angles C4'-P-C4' energy: -140.927 flat angles P-C4'-P energy: -76.686 tors. eta vs tors. theta energy: -108.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1389.366295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.366295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.366295 (E_RNA) where: Base-Base interactions energy: -875.728 where: short stacking energy: -417.441 Base-Backbone interact. energy: -0.034 local terms energy: -513.604386 where: bonds (distance) C4'-P energy: -115.396 bonds (distance) P-C4' energy: -133.849 flat angles C4'-P-C4' energy: -120.480 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -78.141 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: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1090.962470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.962470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.962470 (E_RNA) where: Base-Base interactions energy: -618.525 where: short stacking energy: -304.617 Base-Backbone interact. energy: -0.470 local terms energy: -471.967033 where: bonds (distance) C4'-P energy: -120.335 bonds (distance) P-C4' energy: -129.328 flat angles C4'-P-C4' energy: -118.281 flat angles P-C4'-P energy: -62.374 tors. eta vs tors. theta energy: -41.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2879.581963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.581963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.581963 (E_RNA) where: Base-Base interactions energy: -1999.847 where: short stacking energy: -876.332 Base-Backbone interact. energy: -0.985 local terms energy: -878.749985 where: bonds (distance) C4'-P energy: -157.845 bonds (distance) P-C4' energy: -166.125 flat angles C4'-P-C4' energy: -188.142 flat angles P-C4'-P energy: -124.670 tors. eta vs tors. theta energy: -241.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2614.019375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.019375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.019375 (E_RNA) where: Base-Base interactions energy: -1773.943 where: short stacking energy: -780.323 Base-Backbone interact. energy: -2.043 local terms energy: -838.033475 where: bonds (distance) C4'-P energy: -157.262 bonds (distance) P-C4' energy: -167.383 flat angles C4'-P-C4' energy: -175.913 flat angles P-C4'-P energy: -138.729 tors. eta vs tors. theta energy: -198.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2551.261873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.261873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.261873 (E_RNA) where: Base-Base interactions energy: -1732.884 where: short stacking energy: -788.920 Base-Backbone interact. energy: -1.040 local terms energy: -817.337370 where: bonds (distance) C4'-P energy: -147.546 bonds (distance) P-C4' energy: -170.829 flat angles C4'-P-C4' energy: -182.841 flat angles P-C4'-P energy: -116.395 tors. eta vs tors. theta energy: -199.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2369.331459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.331459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.331459 (E_RNA) where: Base-Base interactions energy: -1624.132 where: short stacking energy: -693.311 Base-Backbone interact. energy: 6.410 local terms energy: -751.610063 where: bonds (distance) C4'-P energy: -156.001 bonds (distance) P-C4' energy: -162.171 flat angles C4'-P-C4' energy: -174.885 flat angles P-C4'-P energy: -94.228 tors. eta vs tors. theta energy: -164.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2280.938953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.938953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.938953 (E_RNA) where: Base-Base interactions energy: -1546.367 where: short stacking energy: -687.723 Base-Backbone interact. energy: 1.132 local terms energy: -735.703944 where: bonds (distance) C4'-P energy: -142.149 bonds (distance) P-C4' energy: -167.368 flat angles C4'-P-C4' energy: -168.436 flat angles P-C4'-P energy: -94.239 tors. eta vs tors. theta energy: -163.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2105.302039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.302039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.302039 (E_RNA) where: Base-Base interactions energy: -1389.991 where: short stacking energy: -621.995 Base-Backbone interact. energy: -4.934 local terms energy: -710.377034 where: bonds (distance) C4'-P energy: -151.022 bonds (distance) P-C4' energy: -157.203 flat angles C4'-P-C4' energy: -169.190 flat angles P-C4'-P energy: -86.142 tors. eta vs tors. theta energy: -146.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1805.215598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.215598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.215598 (E_RNA) where: Base-Base interactions energy: -1185.815 where: short stacking energy: -514.262 Base-Backbone interact. energy: 8.132 local terms energy: -627.532286 where: bonds (distance) C4'-P energy: -153.750 bonds (distance) P-C4' energy: -159.578 flat angles C4'-P-C4' energy: -139.469 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -112.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1644.205221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.205221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.205221 (E_RNA) where: Base-Base interactions energy: -1049.038 where: short stacking energy: -523.197 Base-Backbone interact. energy: 1.041 local terms energy: -596.208032 where: bonds (distance) C4'-P energy: -127.034 bonds (distance) P-C4' energy: -147.155 flat angles C4'-P-C4' energy: -142.188 flat angles P-C4'-P energy: -88.752 tors. eta vs tors. theta energy: -91.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1389.568210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.568210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.568210 (E_RNA) where: Base-Base interactions energy: -854.550 where: short stacking energy: -410.269 Base-Backbone interact. energy: 3.561 local terms energy: -538.579136 where: bonds (distance) C4'-P energy: -129.454 bonds (distance) P-C4' energy: -114.843 flat angles C4'-P-C4' energy: -137.700 flat angles P-C4'-P energy: -81.259 tors. eta vs tors. theta energy: -75.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1075.583014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.583014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.583014 (E_RNA) where: Base-Base interactions energy: -596.638 where: short stacking energy: -313.482 Base-Backbone interact. energy: 2.617 local terms energy: -481.562221 where: bonds (distance) C4'-P energy: -126.184 bonds (distance) P-C4' energy: -144.519 flat angles C4'-P-C4' energy: -124.046 flat angles P-C4'-P energy: -76.115 tors. eta vs tors. theta energy: -10.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2884.500267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.500267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.500267 (E_RNA) where: Base-Base interactions energy: -2017.155 where: short stacking energy: -867.071 Base-Backbone interact. energy: 1.620 local terms energy: -868.965494 where: bonds (distance) C4'-P energy: -162.747 bonds (distance) P-C4' energy: -159.508 flat angles C4'-P-C4' energy: -183.179 flat angles P-C4'-P energy: -136.156 tors. eta vs tors. theta energy: -227.376 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: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2582.259219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.259219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.259219 (E_RNA) where: Base-Base interactions energy: -1749.180 where: short stacking energy: -755.806 Base-Backbone interact. energy: -2.677 local terms energy: -830.401798 where: bonds (distance) C4'-P energy: -150.924 bonds (distance) P-C4' energy: -181.234 flat angles C4'-P-C4' energy: -171.694 flat angles P-C4'-P energy: -124.947 tors. eta vs tors. theta energy: -201.602 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: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2583.062600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.062600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.062600 (E_RNA) where: Base-Base interactions energy: -1767.737 where: short stacking energy: -807.383 Base-Backbone interact. energy: 0.241 local terms energy: -815.566948 where: bonds (distance) C4'-P energy: -165.354 bonds (distance) P-C4' energy: -156.070 flat angles C4'-P-C4' energy: -180.769 flat angles P-C4'-P energy: -112.987 tors. eta vs tors. theta energy: -200.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2388.602226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.602226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.602226 (E_RNA) where: Base-Base interactions energy: -1635.043 where: short stacking energy: -704.307 Base-Backbone interact. energy: -6.197 local terms energy: -747.361895 where: bonds (distance) C4'-P energy: -124.920 bonds (distance) P-C4' energy: -166.134 flat angles C4'-P-C4' energy: -166.367 flat angles P-C4'-P energy: -113.862 tors. eta vs tors. theta energy: -176.079 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: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2241.099335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.099335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.099335 (E_RNA) where: Base-Base interactions energy: -1514.957 where: short stacking energy: -665.427 Base-Backbone interact. energy: 2.593 local terms energy: -728.735549 where: bonds (distance) C4'-P energy: -138.584 bonds (distance) P-C4' energy: -151.342 flat angles C4'-P-C4' energy: -164.745 flat angles P-C4'-P energy: -112.473 tors. eta vs tors. theta energy: -161.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2074.097739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.097739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.097739 (E_RNA) where: Base-Base interactions energy: -1398.005 where: short stacking energy: -655.928 Base-Backbone interact. energy: 0.197 local terms energy: -676.289866 where: bonds (distance) C4'-P energy: -135.764 bonds (distance) P-C4' energy: -133.818 flat angles C4'-P-C4' energy: -149.353 flat angles P-C4'-P energy: -95.417 tors. eta vs tors. theta energy: -161.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1867.748455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.748455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.748455 (E_RNA) where: Base-Base interactions energy: -1236.843 where: short stacking energy: -533.614 Base-Backbone interact. energy: -2.111 local terms energy: -628.794667 where: bonds (distance) C4'-P energy: -146.468 bonds (distance) P-C4' energy: -119.467 flat angles C4'-P-C4' energy: -157.246 flat angles P-C4'-P energy: -104.170 tors. eta vs tors. theta energy: -101.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1646.002084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.002084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.002084 (E_RNA) where: Base-Base interactions energy: -1038.241 where: short stacking energy: -470.536 Base-Backbone interact. energy: 1.786 local terms energy: -609.547317 where: bonds (distance) C4'-P energy: -137.026 bonds (distance) P-C4' energy: -117.776 flat angles C4'-P-C4' energy: -145.326 flat angles P-C4'-P energy: -94.448 tors. eta vs tors. theta energy: -114.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1287.839000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.839000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.839000 (E_RNA) where: Base-Base interactions energy: -778.394 where: short stacking energy: -380.528 Base-Backbone interact. energy: 2.953 local terms energy: -512.398399 where: bonds (distance) C4'-P energy: -141.518 bonds (distance) P-C4' energy: -128.093 flat angles C4'-P-C4' energy: -132.190 flat angles P-C4'-P energy: -62.215 tors. eta vs tors. theta energy: -48.383 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: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1106.456622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.456622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.456622 (E_RNA) where: Base-Base interactions energy: -621.669 where: short stacking energy: -314.549 Base-Backbone interact. energy: 11.993 local terms energy: -496.780361 where: bonds (distance) C4'-P energy: -142.597 bonds (distance) P-C4' energy: -142.850 flat angles C4'-P-C4' energy: -126.345 flat angles P-C4'-P energy: -78.260 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2832.490574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.490574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.490574 (E_RNA) where: Base-Base interactions energy: -1954.570 where: short stacking energy: -864.948 Base-Backbone interact. energy: 0.578 local terms energy: -878.498754 where: bonds (distance) C4'-P energy: -167.809 bonds (distance) P-C4' energy: -167.805 flat angles C4'-P-C4' energy: -199.465 flat angles P-C4'-P energy: -116.634 tors. eta vs tors. theta energy: -226.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2619.183886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.183886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.183886 (E_RNA) where: Base-Base interactions energy: -1799.997 where: short stacking energy: -768.746 Base-Backbone interact. energy: -3.582 local terms energy: -815.604542 where: bonds (distance) C4'-P energy: -156.999 bonds (distance) P-C4' energy: -149.764 flat angles C4'-P-C4' energy: -192.726 flat angles P-C4'-P energy: -115.112 tors. eta vs tors. theta energy: -201.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2571.821769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.821769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.821769 (E_RNA) where: Base-Base interactions energy: -1762.030 where: short stacking energy: -779.507 Base-Backbone interact. energy: -3.432 local terms energy: -806.359984 where: bonds (distance) C4'-P energy: -158.928 bonds (distance) P-C4' energy: -163.313 flat angles C4'-P-C4' energy: -169.381 flat angles P-C4'-P energy: -108.800 tors. eta vs tors. theta energy: -205.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2430.575767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.575767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.575767 (E_RNA) where: Base-Base interactions energy: -1628.156 where: short stacking energy: -704.538 Base-Backbone interact. energy: 3.448 local terms energy: -805.867800 where: bonds (distance) C4'-P energy: -154.614 bonds (distance) P-C4' energy: -179.599 flat angles C4'-P-C4' energy: -183.045 flat angles P-C4'-P energy: -121.748 tors. eta vs tors. theta energy: -166.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2196.074926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.074926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.074926 (E_RNA) where: Base-Base interactions energy: -1456.591 where: short stacking energy: -651.437 Base-Backbone interact. energy: -2.148 local terms energy: -737.335716 where: bonds (distance) C4'-P energy: -160.701 bonds (distance) P-C4' energy: -165.307 flat angles C4'-P-C4' energy: -143.700 flat angles P-C4'-P energy: -106.666 tors. eta vs tors. theta energy: -160.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2080.563547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.563547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.563547 (E_RNA) where: Base-Base interactions energy: -1375.504 where: short stacking energy: -605.316 Base-Backbone interact. energy: -2.783 local terms energy: -702.275954 where: bonds (distance) C4'-P energy: -131.261 bonds (distance) P-C4' energy: -157.000 flat angles C4'-P-C4' energy: -159.410 flat angles P-C4'-P energy: -98.029 tors. eta vs tors. theta energy: -156.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1946.859351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.859351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.859351 (E_RNA) where: Base-Base interactions energy: -1298.664 where: short stacking energy: -570.745 Base-Backbone interact. energy: -1.652 local terms energy: -646.543221 where: bonds (distance) C4'-P energy: -133.357 bonds (distance) P-C4' energy: -147.361 flat angles C4'-P-C4' energy: -159.065 flat angles P-C4'-P energy: -91.721 tors. eta vs tors. theta energy: -115.039 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: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1670.229036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.229036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.229036 (E_RNA) where: Base-Base interactions energy: -1089.974 where: short stacking energy: -505.184 Base-Backbone interact. energy: 2.746 local terms energy: -583.001234 where: bonds (distance) C4'-P energy: -129.232 bonds (distance) P-C4' energy: -134.665 flat angles C4'-P-C4' energy: -152.135 flat angles P-C4'-P energy: -84.600 tors. eta vs tors. theta energy: -82.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1285.826120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.826120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.826120 (E_RNA) where: Base-Base interactions energy: -740.941 where: short stacking energy: -345.923 Base-Backbone interact. energy: -3.270 local terms energy: -541.615630 where: bonds (distance) C4'-P energy: -151.074 bonds (distance) P-C4' energy: -158.069 flat angles C4'-P-C4' energy: -131.099 flat angles P-C4'-P energy: -69.046 tors. eta vs tors. theta energy: -32.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1038.295255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.295255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.295255 (E_RNA) where: Base-Base interactions energy: -561.852 where: short stacking energy: -281.339 Base-Backbone interact. energy: -3.884 local terms energy: -472.558984 where: bonds (distance) C4'-P energy: -135.371 bonds (distance) P-C4' energy: -153.109 flat angles C4'-P-C4' energy: -117.079 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: -1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2848.947228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.947228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.947228 (E_RNA) where: Base-Base interactions energy: -1963.715 where: short stacking energy: -860.251 Base-Backbone interact. energy: -0.354 local terms energy: -884.878377 where: bonds (distance) C4'-P energy: -172.551 bonds (distance) P-C4' energy: -167.657 flat angles C4'-P-C4' energy: -187.629 flat angles P-C4'-P energy: -131.211 tors. eta vs tors. theta energy: -225.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2649.249909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.249909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.249909 (E_RNA) where: Base-Base interactions energy: -1826.862 where: short stacking energy: -803.127 Base-Backbone interact. energy: -2.950 local terms energy: -819.437770 where: bonds (distance) C4'-P energy: -150.506 bonds (distance) P-C4' energy: -170.097 flat angles C4'-P-C4' energy: -177.512 flat angles P-C4'-P energy: -123.262 tors. eta vs tors. theta energy: -198.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2563.328141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.328141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.328141 (E_RNA) where: Base-Base interactions energy: -1716.291 where: short stacking energy: -739.914 Base-Backbone interact. energy: 3.628 local terms energy: -850.664396 where: bonds (distance) C4'-P energy: -165.738 bonds (distance) P-C4' energy: -175.516 flat angles C4'-P-C4' energy: -190.511 flat angles P-C4'-P energy: -126.964 tors. eta vs tors. theta energy: -191.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2421.205575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.205575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.205575 (E_RNA) where: Base-Base interactions energy: -1652.542 where: short stacking energy: -690.668 Base-Backbone interact. energy: -5.350 local terms energy: -763.313674 where: bonds (distance) C4'-P energy: -154.081 bonds (distance) P-C4' energy: -160.116 flat angles C4'-P-C4' energy: -162.596 flat angles P-C4'-P energy: -105.171 tors. eta vs tors. theta energy: -181.350 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: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2222.459517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.459517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.459517 (E_RNA) where: Base-Base interactions energy: -1492.960 where: short stacking energy: -664.275 Base-Backbone interact. energy: 1.301 local terms energy: -730.800569 where: bonds (distance) C4'-P energy: -147.092 bonds (distance) P-C4' energy: -152.459 flat angles C4'-P-C4' energy: -168.267 flat angles P-C4'-P energy: -101.904 tors. eta vs tors. theta energy: -161.078 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: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2138.207535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.207535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.207535 (E_RNA) where: Base-Base interactions energy: -1422.136 where: short stacking energy: -670.796 Base-Backbone interact. energy: 3.815 local terms energy: -719.886906 where: bonds (distance) C4'-P energy: -133.551 bonds (distance) P-C4' energy: -149.966 flat angles C4'-P-C4' energy: -168.356 flat angles P-C4'-P energy: -102.364 tors. eta vs tors. theta energy: -165.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1916.429117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.429117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.429117 (E_RNA) where: Base-Base interactions energy: -1273.697 where: short stacking energy: -556.262 Base-Backbone interact. energy: 7.095 local terms energy: -649.827671 where: bonds (distance) C4'-P energy: -142.366 bonds (distance) P-C4' energy: -142.502 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -84.713 tors. eta vs tors. theta energy: -132.363 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: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1788.825001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.825001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.825001 (E_RNA) where: Base-Base interactions energy: -1161.332 where: short stacking energy: -531.509 Base-Backbone interact. energy: 0.345 local terms energy: -627.838249 where: bonds (distance) C4'-P energy: -135.837 bonds (distance) P-C4' energy: -135.497 flat angles C4'-P-C4' energy: -138.849 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -125.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1258.665987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.665987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.665987 (E_RNA) where: Base-Base interactions energy: -737.194 where: short stacking energy: -374.124 Base-Backbone interact. energy: -2.004 local terms energy: -519.468289 where: bonds (distance) C4'-P energy: -139.294 bonds (distance) P-C4' energy: -135.054 flat angles C4'-P-C4' energy: -130.682 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -25.112 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: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1090.092403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.092403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.092403 (E_RNA) where: Base-Base interactions energy: -620.775 where: short stacking energy: -297.042 Base-Backbone interact. energy: -10.512 local terms energy: -458.806045 where: bonds (distance) C4'-P energy: -146.335 bonds (distance) P-C4' energy: -112.068 flat angles C4'-P-C4' energy: -122.335 flat angles P-C4'-P energy: -63.419 tors. eta vs tors. theta energy: -14.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2837.303625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.303625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.303625 (E_RNA) where: Base-Base interactions energy: -1947.818 where: short stacking energy: -859.122 Base-Backbone interact. energy: -1.165 local terms energy: -888.321265 where: bonds (distance) C4'-P energy: -167.806 bonds (distance) P-C4' energy: -167.304 flat angles C4'-P-C4' energy: -189.557 flat angles P-C4'-P energy: -130.582 tors. eta vs tors. theta energy: -233.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2623.900485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.900485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.900485 (E_RNA) where: Base-Base interactions energy: -1819.112 where: short stacking energy: -790.825 Base-Backbone interact. energy: 0.810 local terms energy: -805.598897 where: bonds (distance) C4'-P energy: -165.077 bonds (distance) P-C4' energy: -136.873 flat angles C4'-P-C4' energy: -184.522 flat angles P-C4'-P energy: -117.702 tors. eta vs tors. theta energy: -201.425 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: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2568.726573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.726573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.726573 (E_RNA) where: Base-Base interactions energy: -1808.225 where: short stacking energy: -788.259 Base-Backbone interact. energy: 0.035 local terms energy: -760.537253 where: bonds (distance) C4'-P energy: -132.148 bonds (distance) P-C4' energy: -141.549 flat angles C4'-P-C4' energy: -175.275 flat angles P-C4'-P energy: -101.836 tors. eta vs tors. theta energy: -209.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2406.809102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.809102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.809102 (E_RNA) where: Base-Base interactions energy: -1651.816 where: short stacking energy: -708.380 Base-Backbone interact. energy: -1.196 local terms energy: -753.797660 where: bonds (distance) C4'-P energy: -133.968 bonds (distance) P-C4' energy: -161.772 flat angles C4'-P-C4' energy: -152.826 flat angles P-C4'-P energy: -115.366 tors. eta vs tors. theta energy: -189.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2277.292836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.292836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.292836 (E_RNA) where: Base-Base interactions energy: -1516.281 where: short stacking energy: -694.705 Base-Backbone interact. energy: 4.882 local terms energy: -765.893963 where: bonds (distance) C4'-P energy: -151.478 bonds (distance) P-C4' energy: -150.439 flat angles C4'-P-C4' energy: -175.042 flat angles P-C4'-P energy: -113.661 tors. eta vs tors. theta energy: -175.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2108.427851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.427851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.427851 (E_RNA) where: Base-Base interactions energy: -1408.425 where: short stacking energy: -646.537 Base-Backbone interact. energy: -1.584 local terms energy: -698.419007 where: bonds (distance) C4'-P energy: -117.374 bonds (distance) P-C4' energy: -161.339 flat angles C4'-P-C4' energy: -174.884 flat angles P-C4'-P energy: -107.864 tors. eta vs tors. theta energy: -136.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1912.034349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.034349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.034349 (E_RNA) where: Base-Base interactions energy: -1265.378 where: short stacking energy: -547.707 Base-Backbone interact. energy: -1.754 local terms energy: -644.902338 where: bonds (distance) C4'-P energy: -140.972 bonds (distance) P-C4' energy: -152.021 flat angles C4'-P-C4' energy: -150.383 flat angles P-C4'-P energy: -84.507 tors. eta vs tors. theta energy: -117.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1657.321534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.321534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.321534 (E_RNA) where: Base-Base interactions energy: -1057.622 where: short stacking energy: -482.960 Base-Backbone interact. energy: 2.262 local terms energy: -601.961482 where: bonds (distance) C4'-P energy: -128.555 bonds (distance) P-C4' energy: -143.927 flat angles C4'-P-C4' energy: -148.523 flat angles P-C4'-P energy: -97.084 tors. eta vs tors. theta energy: -83.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1218.374206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.374206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.374206 (E_RNA) where: Base-Base interactions energy: -715.989 where: short stacking energy: -356.572 Base-Backbone interact. energy: -3.232 local terms energy: -499.153856 where: bonds (distance) C4'-P energy: -122.046 bonds (distance) P-C4' energy: -140.193 flat angles C4'-P-C4' energy: -128.931 flat angles P-C4'-P energy: -60.744 tors. eta vs tors. theta energy: -47.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -986.107367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.107367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.107367 (E_RNA) where: Base-Base interactions energy: -551.907 where: short stacking energy: -296.190 Base-Backbone interact. energy: 1.226 local terms energy: -435.426578 where: bonds (distance) C4'-P energy: -130.850 bonds (distance) P-C4' energy: -130.972 flat angles C4'-P-C4' energy: -97.166 flat angles P-C4'-P energy: -67.360 tors. eta vs tors. theta energy: -9.077 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: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2863.890683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.890683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.890683 (E_RNA) where: Base-Base interactions energy: -1990.204 where: short stacking energy: -881.199 Base-Backbone interact. energy: -2.944 local terms energy: -870.743130 where: bonds (distance) C4'-P energy: -164.101 bonds (distance) P-C4' energy: -164.947 flat angles C4'-P-C4' energy: -181.110 flat angles P-C4'-P energy: -129.255 tors. eta vs tors. theta energy: -231.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2622.003927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.003927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.003927 (E_RNA) where: Base-Base interactions energy: -1784.363 where: short stacking energy: -741.758 Base-Backbone interact. energy: -3.177 local terms energy: -834.464098 where: bonds (distance) C4'-P energy: -172.007 bonds (distance) P-C4' energy: -162.206 flat angles C4'-P-C4' energy: -196.242 flat angles P-C4'-P energy: -118.310 tors. eta vs tors. theta energy: -185.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2616.698438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.698438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.698438 (E_RNA) where: Base-Base interactions energy: -1810.397 where: short stacking energy: -829.033 Base-Backbone interact. energy: -5.088 local terms energy: -801.213280 where: bonds (distance) C4'-P energy: -128.094 bonds (distance) P-C4' energy: -167.809 flat angles C4'-P-C4' energy: -171.520 flat angles P-C4'-P energy: -128.112 tors. eta vs tors. theta energy: -205.678 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: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2398.637001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.637001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.637001 (E_RNA) where: Base-Base interactions energy: -1629.646 where: short stacking energy: -699.438 Base-Backbone interact. energy: -2.562 local terms energy: -766.429351 where: bonds (distance) C4'-P energy: -152.331 bonds (distance) P-C4' energy: -161.138 flat angles C4'-P-C4' energy: -178.212 flat angles P-C4'-P energy: -112.698 tors. eta vs tors. theta energy: -162.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2283.137810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.137810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.137810 (E_RNA) where: Base-Base interactions energy: -1535.868 where: short stacking energy: -707.797 Base-Backbone interact. energy: -1.329 local terms energy: -745.940952 where: bonds (distance) C4'-P energy: -149.844 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -166.621 flat angles P-C4'-P energy: -107.236 tors. eta vs tors. theta energy: -177.515 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: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2116.753784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.753784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.753784 (E_RNA) where: Base-Base interactions energy: -1424.822 where: short stacking energy: -628.635 Base-Backbone interact. energy: -1.363 local terms energy: -690.568162 where: bonds (distance) C4'-P energy: -142.433 bonds (distance) P-C4' energy: -138.769 flat angles C4'-P-C4' energy: -163.792 flat angles P-C4'-P energy: -98.369 tors. eta vs tors. theta energy: -147.205 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: 89 Temperature: 1.200000 Total energy: -1969.675767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.675767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.675767 (E_RNA) where: Base-Base interactions energy: -1293.392 where: short stacking energy: -558.744 Base-Backbone interact. energy: 0.327 local terms energy: -676.610518 where: bonds (distance) C4'-P energy: -143.216 bonds (distance) P-C4' energy: -161.087 flat angles C4'-P-C4' energy: -156.261 flat angles P-C4'-P energy: -94.645 tors. eta vs tors. theta energy: -121.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1786.455422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.455422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.455422 (E_RNA) where: Base-Base interactions energy: -1155.321 where: short stacking energy: -554.502 Base-Backbone interact. energy: 2.436 local terms energy: -633.570440 where: bonds (distance) C4'-P energy: -121.147 bonds (distance) P-C4' energy: -158.484 flat angles C4'-P-C4' energy: -136.195 flat angles P-C4'-P energy: -95.757 tors. eta vs tors. theta energy: -121.988 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: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1261.818219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.818219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.818219 (E_RNA) where: Base-Base interactions energy: -760.148 where: short stacking energy: -368.960 Base-Backbone interact. energy: -0.407 local terms energy: -501.262871 where: bonds (distance) C4'-P energy: -122.075 bonds (distance) P-C4' energy: -140.362 flat angles C4'-P-C4' energy: -135.491 flat angles P-C4'-P energy: -51.739 tors. eta vs tors. theta energy: -51.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -952.563382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.563382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.563382 (E_RNA) where: Base-Base interactions energy: -470.476 where: short stacking energy: -278.548 Base-Backbone interact. energy: 2.680 local terms energy: -484.767214 where: bonds (distance) C4'-P energy: -139.430 bonds (distance) P-C4' energy: -146.542 flat angles C4'-P-C4' energy: -123.286 flat angles P-C4'-P energy: -69.748 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2899.275989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.275989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.275989 (E_RNA) where: Base-Base interactions energy: -1984.077 where: short stacking energy: -876.997 Base-Backbone interact. energy: 1.309 local terms energy: -916.507744 where: bonds (distance) C4'-P energy: -158.988 bonds (distance) P-C4' energy: -192.603 flat angles C4'-P-C4' energy: -194.690 flat angles P-C4'-P energy: -131.363 tors. eta vs tors. theta energy: -238.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2649.814080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.814080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.814080 (E_RNA) where: Base-Base interactions energy: -1804.328 where: short stacking energy: -765.404 Base-Backbone interact. energy: 6.118 local terms energy: -851.604286 where: bonds (distance) C4'-P energy: -163.977 bonds (distance) P-C4' energy: -177.373 flat angles C4'-P-C4' energy: -186.842 flat angles P-C4'-P energy: -124.290 tors. eta vs tors. theta energy: -199.122 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: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2612.191543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.191543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.191543 (E_RNA) where: Base-Base interactions energy: -1801.070 where: short stacking energy: -812.821 Base-Backbone interact. energy: -3.513 local terms energy: -807.608828 where: bonds (distance) C4'-P energy: -146.964 bonds (distance) P-C4' energy: -162.371 flat angles C4'-P-C4' energy: -170.344 flat angles P-C4'-P energy: -116.327 tors. eta vs tors. theta energy: -211.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2416.607813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.607813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.607813 (E_RNA) where: Base-Base interactions energy: -1661.697 where: short stacking energy: -733.728 Base-Backbone interact. energy: -1.896 local terms energy: -753.014833 where: bonds (distance) C4'-P energy: -143.440 bonds (distance) P-C4' energy: -142.826 flat angles C4'-P-C4' energy: -179.826 flat angles P-C4'-P energy: -98.375 tors. eta vs tors. theta energy: -188.547 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: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2289.969102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.969102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.969102 (E_RNA) where: Base-Base interactions energy: -1535.258 where: short stacking energy: -669.973 Base-Backbone interact. energy: -4.340 local terms energy: -750.370719 where: bonds (distance) C4'-P energy: -149.635 bonds (distance) P-C4' energy: -159.618 flat angles C4'-P-C4' energy: -159.489 flat angles P-C4'-P energy: -105.849 tors. eta vs tors. theta energy: -175.780 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: 90 Temperature: 1.150000 Total energy: -2091.280900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.280900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.280900 (E_RNA) where: Base-Base interactions energy: -1372.974 where: short stacking energy: -580.252 Base-Backbone interact. energy: -4.281 local terms energy: -714.025905 where: bonds (distance) C4'-P energy: -163.466 bonds (distance) P-C4' energy: -151.231 flat angles C4'-P-C4' energy: -157.599 flat angles P-C4'-P energy: -106.774 tors. eta vs tors. theta energy: -134.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -2053.817823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.817823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.817823 (E_RNA) where: Base-Base interactions energy: -1369.722 where: short stacking energy: -587.961 Base-Backbone interact. energy: -3.841 local terms energy: -680.254880 where: bonds (distance) C4'-P energy: -139.707 bonds (distance) P-C4' energy: -148.754 flat angles C4'-P-C4' energy: -158.222 flat angles P-C4'-P energy: -98.431 tors. eta vs tors. theta energy: -135.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1825.653350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.653350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.653350 (E_RNA) where: Base-Base interactions energy: -1215.826 where: short stacking energy: -558.935 Base-Backbone interact. energy: 0.114 local terms energy: -609.941970 where: bonds (distance) C4'-P energy: -125.961 bonds (distance) P-C4' energy: -146.748 flat angles C4'-P-C4' energy: -146.880 flat angles P-C4'-P energy: -82.063 tors. eta vs tors. theta energy: -108.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1257.397302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.397302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.397302 (E_RNA) where: Base-Base interactions energy: -704.564 where: short stacking energy: -357.181 Base-Backbone interact. energy: -1.109 local terms energy: -551.725171 where: bonds (distance) C4'-P energy: -142.656 bonds (distance) P-C4' energy: -143.106 flat angles C4'-P-C4' energy: -163.423 flat angles P-C4'-P energy: -72.248 tors. eta vs tors. theta energy: -30.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -963.392322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.392322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.392322 (E_RNA) where: Base-Base interactions energy: -509.548 where: short stacking energy: -273.482 Base-Backbone interact. energy: -2.640 local terms energy: -451.204803 where: bonds (distance) C4'-P energy: -139.506 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -121.674 flat angles P-C4'-P energy: -69.348 tors. eta vs tors. theta energy: 0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2866.372591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.372591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.372591 (E_RNA) where: Base-Base interactions energy: -1971.309 where: short stacking energy: -887.563 Base-Backbone interact. energy: -0.566 local terms energy: -894.497843 where: bonds (distance) C4'-P energy: -176.831 bonds (distance) P-C4' energy: -165.092 flat angles C4'-P-C4' energy: -197.205 flat angles P-C4'-P energy: -120.032 tors. eta vs tors. theta energy: -235.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2681.480280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.480280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.480280 (E_RNA) where: Base-Base interactions energy: -1840.764 where: short stacking energy: -793.806 Base-Backbone interact. energy: -1.031 local terms energy: -839.685129 where: bonds (distance) C4'-P energy: -165.566 bonds (distance) P-C4' energy: -153.988 flat angles C4'-P-C4' energy: -180.935 flat angles P-C4'-P energy: -122.897 tors. eta vs tors. theta energy: -216.298 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: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2587.474511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.474511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.474511 (E_RNA) where: Base-Base interactions energy: -1767.339 where: short stacking energy: -778.945 Base-Backbone interact. energy: -5.967 local terms energy: -814.168844 where: bonds (distance) C4'-P energy: -145.804 bonds (distance) P-C4' energy: -166.285 flat angles C4'-P-C4' energy: -192.729 flat angles P-C4'-P energy: -111.907 tors. eta vs tors. theta energy: -197.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2429.246924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.246924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.246924 (E_RNA) where: Base-Base interactions energy: -1667.263 where: short stacking energy: -733.171 Base-Backbone interact. energy: 1.763 local terms energy: -763.746500 where: bonds (distance) C4'-P energy: -155.420 bonds (distance) P-C4' energy: -156.120 flat angles C4'-P-C4' energy: -166.910 flat angles P-C4'-P energy: -103.223 tors. eta vs tors. theta energy: -182.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2349.869352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.869352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.869352 (E_RNA) where: Base-Base interactions energy: -1606.412 where: short stacking energy: -695.285 Base-Backbone interact. energy: -1.328 local terms energy: -742.129783 where: bonds (distance) C4'-P energy: -144.786 bonds (distance) P-C4' energy: -154.917 flat angles C4'-P-C4' energy: -153.813 flat angles P-C4'-P energy: -108.921 tors. eta vs tors. theta energy: -179.692 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: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2052.183281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.183281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.183281 (E_RNA) where: Base-Base interactions energy: -1335.836 where: short stacking energy: -603.959 Base-Backbone interact. energy: 1.744 local terms energy: -718.091098 where: bonds (distance) C4'-P energy: -152.411 bonds (distance) P-C4' energy: -145.499 flat angles C4'-P-C4' energy: -163.121 flat angles P-C4'-P energy: -105.541 tors. eta vs tors. theta energy: -151.518 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: 91 Temperature: 1.200000 Total energy: -1990.966628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.966628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.966628 (E_RNA) where: Base-Base interactions energy: -1367.105 where: short stacking energy: -559.437 Base-Backbone interact. energy: -7.092 local terms energy: -616.769756 where: bonds (distance) C4'-P energy: -133.331 bonds (distance) P-C4' energy: -122.704 flat angles C4'-P-C4' energy: -156.853 flat angles P-C4'-P energy: -87.767 tors. eta vs tors. theta energy: -116.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1840.595081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.595081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.595081 (E_RNA) where: Base-Base interactions energy: -1173.721 where: short stacking energy: -565.692 Base-Backbone interact. energy: 1.954 local terms energy: -668.828920 where: bonds (distance) C4'-P energy: -138.260 bonds (distance) P-C4' energy: -137.925 flat angles C4'-P-C4' energy: -150.108 flat angles P-C4'-P energy: -99.922 tors. eta vs tors. theta energy: -142.614 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: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1239.846035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.846035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.846035 (E_RNA) where: Base-Base interactions energy: -710.983 where: short stacking energy: -378.117 Base-Backbone interact. energy: 0.254 local terms energy: -529.117886 where: bonds (distance) C4'-P energy: -143.209 bonds (distance) P-C4' energy: -143.921 flat angles C4'-P-C4' energy: -129.171 flat angles P-C4'-P energy: -69.701 tors. eta vs tors. theta energy: -43.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -997.836221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.836221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.836221 (E_RNA) where: Base-Base interactions energy: -585.667 where: short stacking energy: -279.405 Base-Backbone interact. energy: 5.421 local terms energy: -417.590784 where: bonds (distance) C4'-P energy: -131.315 bonds (distance) P-C4' energy: -119.735 flat angles C4'-P-C4' energy: -132.553 flat angles P-C4'-P energy: -28.880 tors. eta vs tors. theta energy: -5.108 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: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2837.627360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.627360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.627360 (E_RNA) where: Base-Base interactions energy: -1950.961 where: short stacking energy: -874.737 Base-Backbone interact. energy: -3.510 local terms energy: -883.156297 where: bonds (distance) C4'-P energy: -158.590 bonds (distance) P-C4' energy: -174.731 flat angles C4'-P-C4' energy: -184.019 flat angles P-C4'-P energy: -127.812 tors. eta vs tors. theta energy: -238.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2640.213494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.213494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.213494 (E_RNA) where: Base-Base interactions energy: -1827.951 where: short stacking energy: -770.406 Base-Backbone interact. energy: 1.740 local terms energy: -814.003273 where: bonds (distance) C4'-P energy: -163.320 bonds (distance) P-C4' energy: -156.991 flat angles C4'-P-C4' energy: -173.750 flat angles P-C4'-P energy: -107.276 tors. eta vs tors. theta energy: -212.667 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: 92 Temperature: 1.000000 Total energy: -2636.330693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.330693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.330693 (E_RNA) where: Base-Base interactions energy: -1777.498 where: short stacking energy: -800.334 Base-Backbone interact. energy: 2.975 local terms energy: -861.807590 where: bonds (distance) C4'-P energy: -169.735 bonds (distance) P-C4' energy: -159.291 flat angles C4'-P-C4' energy: -187.784 flat angles P-C4'-P energy: -139.522 tors. eta vs tors. theta energy: -205.475 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: 92 Temperature: 1.050000 Total energy: -2423.303803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.303803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.303803 (E_RNA) where: Base-Base interactions energy: -1659.434 where: short stacking energy: -702.896 Base-Backbone interact. energy: 0.264 local terms energy: -764.133912 where: bonds (distance) C4'-P energy: -142.743 bonds (distance) P-C4' energy: -166.646 flat angles C4'-P-C4' energy: -163.427 flat angles P-C4'-P energy: -108.784 tors. eta vs tors. theta energy: -182.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2305.971009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.971009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.971009 (E_RNA) where: Base-Base interactions energy: -1553.318 where: short stacking energy: -687.975 Base-Backbone interact. energy: -2.420 local terms energy: -750.233342 where: bonds (distance) C4'-P energy: -149.472 bonds (distance) P-C4' energy: -158.323 flat angles C4'-P-C4' energy: -163.874 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -180.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2123.546092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.546092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.546092 (E_RNA) where: Base-Base interactions energy: -1428.848 where: short stacking energy: -646.256 Base-Backbone interact. energy: 0.171 local terms energy: -694.869207 where: bonds (distance) C4'-P energy: -136.354 bonds (distance) P-C4' energy: -145.839 flat angles C4'-P-C4' energy: -164.823 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: -158.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1949.648188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.648188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.648188 (E_RNA) where: Base-Base interactions energy: -1317.988 where: short stacking energy: -576.142 Base-Backbone interact. energy: 2.826 local terms energy: -634.485457 where: bonds (distance) C4'-P energy: -143.894 bonds (distance) P-C4' energy: -151.947 flat angles C4'-P-C4' energy: -149.553 flat angles P-C4'-P energy: -66.906 tors. eta vs tors. theta energy: -122.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1780.965565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.965565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.965565 (E_RNA) where: Base-Base interactions energy: -1137.955 where: short stacking energy: -523.342 Base-Backbone interact. energy: -1.218 local terms energy: -641.792817 where: bonds (distance) C4'-P energy: -151.221 bonds (distance) P-C4' energy: -155.081 flat angles C4'-P-C4' energy: -142.384 flat angles P-C4'-P energy: -72.944 tors. eta vs tors. theta energy: -120.162 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: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1228.060461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.060461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.060461 (E_RNA) where: Base-Base interactions energy: -710.933 where: short stacking energy: -352.669 Base-Backbone interact. energy: 0.953 local terms energy: -518.080681 where: bonds (distance) C4'-P energy: -135.122 bonds (distance) P-C4' energy: -142.809 flat angles C4'-P-C4' energy: -132.713 flat angles P-C4'-P energy: -66.234 tors. eta vs tors. theta energy: -41.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -910.564361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.564361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.564361 (E_RNA) where: Base-Base interactions energy: -498.921 where: short stacking energy: -258.771 Base-Backbone interact. energy: -0.197 local terms energy: -411.446350 where: bonds (distance) C4'-P energy: -86.585 bonds (distance) P-C4' energy: -140.824 flat angles C4'-P-C4' energy: -126.636 flat angles P-C4'-P energy: -73.161 tors. eta vs tors. theta energy: 15.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2876.399372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.399372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.399372 (E_RNA) where: Base-Base interactions energy: -1988.701 where: short stacking energy: -875.132 Base-Backbone interact. energy: -0.963 local terms energy: -886.735230 where: bonds (distance) C4'-P energy: -151.381 bonds (distance) P-C4' energy: -171.210 flat angles C4'-P-C4' energy: -189.365 flat angles P-C4'-P energy: -124.982 tors. eta vs tors. theta energy: -249.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2684.299707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.299707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.299707 (E_RNA) where: Base-Base interactions energy: -1848.153 where: short stacking energy: -807.446 Base-Backbone interact. energy: 1.280 local terms energy: -837.426399 where: bonds (distance) C4'-P energy: -156.434 bonds (distance) P-C4' energy: -186.123 flat angles C4'-P-C4' energy: -182.586 flat angles P-C4'-P energy: -101.714 tors. eta vs tors. theta energy: -210.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2582.433333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.433333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.433333 (E_RNA) where: Base-Base interactions energy: -1745.936 where: short stacking energy: -789.920 Base-Backbone interact. energy: 1.823 local terms energy: -838.319828 where: bonds (distance) C4'-P energy: -168.262 bonds (distance) P-C4' energy: -148.589 flat angles C4'-P-C4' energy: -189.726 flat angles P-C4'-P energy: -124.925 tors. eta vs tors. theta energy: -206.818 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: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2513.861606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.861606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.861606 (E_RNA) where: Base-Base interactions energy: -1726.378 where: short stacking energy: -768.727 Base-Backbone interact. energy: -0.595 local terms energy: -786.888793 where: bonds (distance) C4'-P energy: -137.594 bonds (distance) P-C4' energy: -158.531 flat angles C4'-P-C4' energy: -179.759 flat angles P-C4'-P energy: -106.744 tors. eta vs tors. theta energy: -204.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2262.623610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.623610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.623610 (E_RNA) where: Base-Base interactions energy: -1531.395 where: short stacking energy: -658.463 Base-Backbone interact. energy: 2.208 local terms energy: -733.436369 where: bonds (distance) C4'-P energy: -145.178 bonds (distance) P-C4' energy: -167.943 flat angles C4'-P-C4' energy: -152.954 flat angles P-C4'-P energy: -93.437 tors. eta vs tors. theta energy: -173.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2137.567477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.567477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.567477 (E_RNA) where: Base-Base interactions energy: -1428.602 where: short stacking energy: -644.414 Base-Backbone interact. energy: 4.154 local terms energy: -713.119277 where: bonds (distance) C4'-P energy: -142.421 bonds (distance) P-C4' energy: -143.015 flat angles C4'-P-C4' energy: -170.025 flat angles P-C4'-P energy: -105.211 tors. eta vs tors. theta energy: -152.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2051.611326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.611326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.611326 (E_RNA) where: Base-Base interactions energy: -1357.886 where: short stacking energy: -583.950 Base-Backbone interact. energy: 1.745 local terms energy: -695.469730 where: bonds (distance) C4'-P energy: -151.327 bonds (distance) P-C4' energy: -147.914 flat angles C4'-P-C4' energy: -144.398 flat angles P-C4'-P energy: -107.859 tors. eta vs tors. theta energy: -143.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1836.173578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.173578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.173578 (E_RNA) where: Base-Base interactions energy: -1225.937 where: short stacking energy: -542.717 Base-Backbone interact. energy: 3.027 local terms energy: -613.263336 where: bonds (distance) C4'-P energy: -122.151 bonds (distance) P-C4' energy: -141.331 flat angles C4'-P-C4' energy: -153.562 flat angles P-C4'-P energy: -74.855 tors. eta vs tors. theta energy: -121.365 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: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1280.413366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.413366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.413366 (E_RNA) where: Base-Base interactions energy: -716.578 where: short stacking energy: -374.297 Base-Backbone interact. energy: 1.085 local terms energy: -564.920613 where: bonds (distance) C4'-P energy: -135.245 bonds (distance) P-C4' energy: -143.984 flat angles C4'-P-C4' energy: -148.560 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -69.535 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -900.984689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.984689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.984689 (E_RNA) where: Base-Base interactions energy: -488.561 where: short stacking energy: -256.870 Base-Backbone interact. energy: 6.798 local terms energy: -419.221951 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -165.372 flat angles C4'-P-C4' energy: -79.669 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: 23.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2902.211931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.211931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.211931 (E_RNA) where: Base-Base interactions energy: -1981.457 where: short stacking energy: -861.092 Base-Backbone interact. energy: -1.373 local terms energy: -919.381921 where: bonds (distance) C4'-P energy: -168.986 bonds (distance) P-C4' energy: -171.157 flat angles C4'-P-C4' energy: -196.347 flat angles P-C4'-P energy: -139.150 tors. eta vs tors. theta energy: -243.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2628.461842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.461842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.461842 (E_RNA) where: Base-Base interactions energy: -1812.881 where: short stacking energy: -803.697 Base-Backbone interact. energy: -3.381 local terms energy: -812.199711 where: bonds (distance) C4'-P energy: -141.385 bonds (distance) P-C4' energy: -167.937 flat angles C4'-P-C4' energy: -181.462 flat angles P-C4'-P energy: -121.023 tors. eta vs tors. theta energy: -200.392 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: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2612.232639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.232639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.232639 (E_RNA) where: Base-Base interactions energy: -1771.051 where: short stacking energy: -779.587 Base-Backbone interact. energy: -2.575 local terms energy: -838.606651 where: bonds (distance) C4'-P energy: -165.345 bonds (distance) P-C4' energy: -150.364 flat angles C4'-P-C4' energy: -198.528 flat angles P-C4'-P energy: -128.347 tors. eta vs tors. theta energy: -196.023 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: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2371.360626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.360626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.360626 (E_RNA) where: Base-Base interactions energy: -1612.728 where: short stacking energy: -691.298 Base-Backbone interact. energy: -5.709 local terms energy: -752.923776 where: bonds (distance) C4'-P energy: -147.972 bonds (distance) P-C4' energy: -161.708 flat angles C4'-P-C4' energy: -170.663 flat angles P-C4'-P energy: -91.916 tors. eta vs tors. theta energy: -180.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2330.439190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.439190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.439190 (E_RNA) where: Base-Base interactions energy: -1569.185 where: short stacking energy: -714.236 Base-Backbone interact. energy: 5.948 local terms energy: -767.202071 where: bonds (distance) C4'-P energy: -138.899 bonds (distance) P-C4' energy: -162.885 flat angles C4'-P-C4' energy: -169.644 flat angles P-C4'-P energy: -115.266 tors. eta vs tors. theta energy: -180.508 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: 94 Temperature: 1.150000 Total energy: -2138.662675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.662675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.662675 (E_RNA) where: Base-Base interactions energy: -1433.178 where: short stacking energy: -620.719 Base-Backbone interact. energy: 1.317 local terms energy: -706.801247 where: bonds (distance) C4'-P energy: -143.724 bonds (distance) P-C4' energy: -161.455 flat angles C4'-P-C4' energy: -161.373 flat angles P-C4'-P energy: -80.408 tors. eta vs tors. theta energy: -159.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2052.834453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.834453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.834453 (E_RNA) where: Base-Base interactions energy: -1404.264 where: short stacking energy: -616.627 Base-Backbone interact. energy: -4.281 local terms energy: -644.289753 where: bonds (distance) C4'-P energy: -123.568 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -132.467 flat angles P-C4'-P energy: -98.522 tors. eta vs tors. theta energy: -143.443 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: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1860.110345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.110345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.110345 (E_RNA) where: Base-Base interactions energy: -1218.930 where: short stacking energy: -567.423 Base-Backbone interact. energy: -2.439 local terms energy: -638.741624 where: bonds (distance) C4'-P energy: -140.218 bonds (distance) P-C4' energy: -141.711 flat angles C4'-P-C4' energy: -135.208 flat angles P-C4'-P energy: -93.221 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: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1277.023711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.023711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.023711 (E_RNA) where: Base-Base interactions energy: -758.827 where: short stacking energy: -373.988 Base-Backbone interact. energy: 6.363 local terms energy: -524.559978 where: bonds (distance) C4'-P energy: -111.391 bonds (distance) P-C4' energy: -156.240 flat angles C4'-P-C4' energy: -139.868 flat angles P-C4'-P energy: -73.437 tors. eta vs tors. theta energy: -43.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -913.091773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.091773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.091773 (E_RNA) where: Base-Base interactions energy: -480.828 where: short stacking energy: -257.484 Base-Backbone interact. energy: -0.002 local terms energy: -432.262114 where: bonds (distance) C4'-P energy: -131.743 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -114.409 flat angles P-C4'-P energy: -66.647 tors. eta vs tors. theta energy: 5.375 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: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2936.694147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.694147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.694147 (E_RNA) where: Base-Base interactions energy: -2023.394 where: short stacking energy: -882.220 Base-Backbone interact. energy: -0.860 local terms energy: -912.440286 where: bonds (distance) C4'-P energy: -174.210 bonds (distance) P-C4' energy: -179.941 flat angles C4'-P-C4' energy: -184.071 flat angles P-C4'-P energy: -123.408 tors. eta vs tors. theta energy: -250.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2639.138000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.138000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.138000 (E_RNA) where: Base-Base interactions energy: -1799.670 where: short stacking energy: -794.581 Base-Backbone interact. energy: 3.693 local terms energy: -843.160276 where: bonds (distance) C4'-P energy: -166.010 bonds (distance) P-C4' energy: -157.998 flat angles C4'-P-C4' energy: -180.064 flat angles P-C4'-P energy: -127.928 tors. eta vs tors. theta energy: -211.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2561.138001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.138001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.138001 (E_RNA) where: Base-Base interactions energy: -1763.559 where: short stacking energy: -761.865 Base-Backbone interact. energy: -1.994 local terms energy: -795.585502 where: bonds (distance) C4'-P energy: -153.994 bonds (distance) P-C4' energy: -152.801 flat angles C4'-P-C4' energy: -170.208 flat angles P-C4'-P energy: -125.364 tors. eta vs tors. theta energy: -193.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2367.591005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.591005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.591005 (E_RNA) where: Base-Base interactions energy: -1604.736 where: short stacking energy: -670.791 Base-Backbone interact. energy: -0.774 local terms energy: -762.081610 where: bonds (distance) C4'-P energy: -139.827 bonds (distance) P-C4' energy: -170.911 flat angles C4'-P-C4' energy: -182.826 flat angles P-C4'-P energy: -108.099 tors. eta vs tors. theta energy: -160.419 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: 95 Temperature: 1.100000 Total energy: -2325.791007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.791007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.791007 (E_RNA) where: Base-Base interactions energy: -1579.102 where: short stacking energy: -688.905 Base-Backbone interact. energy: -2.365 local terms energy: -744.323371 where: bonds (distance) C4'-P energy: -142.524 bonds (distance) P-C4' energy: -154.883 flat angles C4'-P-C4' energy: -173.042 flat angles P-C4'-P energy: -89.960 tors. eta vs tors. theta energy: -183.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2132.276378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.276378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.276378 (E_RNA) where: Base-Base interactions energy: -1451.481 where: short stacking energy: -653.024 Base-Backbone interact. energy: 0.459 local terms energy: -681.254560 where: bonds (distance) C4'-P energy: -145.317 bonds (distance) P-C4' energy: -143.736 flat angles C4'-P-C4' energy: -171.250 flat angles P-C4'-P energy: -74.817 tors. eta vs tors. theta energy: -146.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1955.397702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.397702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.397702 (E_RNA) where: Base-Base interactions energy: -1323.759 where: short stacking energy: -581.247 Base-Backbone interact. energy: -1.801 local terms energy: -629.837600 where: bonds (distance) C4'-P energy: -125.710 bonds (distance) P-C4' energy: -129.971 flat angles C4'-P-C4' energy: -145.793 flat angles P-C4'-P energy: -86.457 tors. eta vs tors. theta energy: -141.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1802.190602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.190602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.190602 (E_RNA) where: Base-Base interactions energy: -1201.141 where: short stacking energy: -547.910 Base-Backbone interact. energy: 2.724 local terms energy: -603.773106 where: bonds (distance) C4'-P energy: -126.564 bonds (distance) P-C4' energy: -125.579 flat angles C4'-P-C4' energy: -160.467 flat angles P-C4'-P energy: -79.159 tors. eta vs tors. theta energy: -112.005 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: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1293.503557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.503557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.503557 (E_RNA) where: Base-Base interactions energy: -758.549 where: short stacking energy: -370.030 Base-Backbone interact. energy: -0.005 local terms energy: -534.949434 where: bonds (distance) C4'-P energy: -136.786 bonds (distance) P-C4' energy: -151.190 flat angles C4'-P-C4' energy: -114.246 flat angles P-C4'-P energy: -80.506 tors. eta vs tors. theta energy: -52.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -948.868004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.868004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.868004 (E_RNA) where: Base-Base interactions energy: -515.181 where: short stacking energy: -282.905 Base-Backbone interact. energy: 2.864 local terms energy: -436.550942 where: bonds (distance) C4'-P energy: -129.642 bonds (distance) P-C4' energy: -141.562 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -41.194 tors. eta vs tors. theta energy: -15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2966.803156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.803156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.803156 (E_RNA) where: Base-Base interactions energy: -2046.474 where: short stacking energy: -911.005 Base-Backbone interact. energy: -3.206 local terms energy: -917.123484 where: bonds (distance) C4'-P energy: -172.371 bonds (distance) P-C4' energy: -180.840 flat angles C4'-P-C4' energy: -184.500 flat angles P-C4'-P energy: -131.235 tors. eta vs tors. theta energy: -248.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2623.431881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.431881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.431881 (E_RNA) where: Base-Base interactions energy: -1800.361 where: short stacking energy: -753.596 Base-Backbone interact. energy: -6.167 local terms energy: -816.903501 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -173.901 flat angles C4'-P-C4' energy: -185.250 flat angles P-C4'-P energy: -123.670 tors. eta vs tors. theta energy: -193.001 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: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2572.718432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.718432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.718432 (E_RNA) where: Base-Base interactions energy: -1732.712 where: short stacking energy: -765.390 Base-Backbone interact. energy: -2.540 local terms energy: -837.466201 where: bonds (distance) C4'-P energy: -147.093 bonds (distance) P-C4' energy: -166.480 flat angles C4'-P-C4' energy: -177.455 flat angles P-C4'-P energy: -135.419 tors. eta vs tors. theta energy: -211.019 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: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2382.114860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.114860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.114860 (E_RNA) where: Base-Base interactions energy: -1631.382 where: short stacking energy: -683.660 Base-Backbone interact. energy: -3.048 local terms energy: -747.685069 where: bonds (distance) C4'-P energy: -154.541 bonds (distance) P-C4' energy: -160.197 flat angles C4'-P-C4' energy: -152.012 flat angles P-C4'-P energy: -102.011 tors. eta vs tors. theta energy: -178.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2339.012198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.012198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.012198 (E_RNA) where: Base-Base interactions energy: -1568.763 where: short stacking energy: -680.671 Base-Backbone interact. energy: 1.002 local terms energy: -771.251370 where: bonds (distance) C4'-P energy: -143.129 bonds (distance) P-C4' energy: -161.898 flat angles C4'-P-C4' energy: -168.826 flat angles P-C4'-P energy: -114.234 tors. eta vs tors. theta energy: -183.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2066.944219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.944219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.944219 (E_RNA) where: Base-Base interactions energy: -1350.293 where: short stacking energy: -620.667 Base-Backbone interact. energy: 2.426 local terms energy: -719.077027 where: bonds (distance) C4'-P energy: -130.495 bonds (distance) P-C4' energy: -153.255 flat angles C4'-P-C4' energy: -166.343 flat angles P-C4'-P energy: -106.509 tors. eta vs tors. theta energy: -162.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1919.316647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.316647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.316647 (E_RNA) where: Base-Base interactions energy: -1304.994 where: short stacking energy: -576.423 Base-Backbone interact. energy: -0.680 local terms energy: -613.642668 where: bonds (distance) C4'-P energy: -140.823 bonds (distance) P-C4' energy: -131.867 flat angles C4'-P-C4' energy: -154.450 flat angles P-C4'-P energy: -76.785 tors. eta vs tors. theta energy: -109.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1815.999389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.999389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.999389 (E_RNA) where: Base-Base interactions energy: -1188.042 where: short stacking energy: -534.809 Base-Backbone interact. energy: 5.531 local terms energy: -633.489162 where: bonds (distance) C4'-P energy: -157.701 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -134.070 flat angles P-C4'-P energy: -87.421 tors. eta vs tors. theta energy: -119.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1358.769884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.769884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.769884 (E_RNA) where: Base-Base interactions energy: -856.229 where: short stacking energy: -407.947 Base-Backbone interact. energy: 2.662 local terms energy: -505.203428 where: bonds (distance) C4'-P energy: -136.707 bonds (distance) P-C4' energy: -131.495 flat angles C4'-P-C4' energy: -110.478 flat angles P-C4'-P energy: -65.609 tors. eta vs tors. theta energy: -60.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -982.135988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.135988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.135988 (E_RNA) where: Base-Base interactions energy: -518.824 where: short stacking energy: -292.511 Base-Backbone interact. energy: 8.769 local terms energy: -472.080437 where: bonds (distance) C4'-P energy: -132.188 bonds (distance) P-C4' energy: -128.238 flat angles C4'-P-C4' energy: -114.882 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -8.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2916.743287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.743287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.743287 (E_RNA) where: Base-Base interactions energy: -2018.481 where: short stacking energy: -914.436 Base-Backbone interact. energy: -4.651 local terms energy: -893.611248 where: bonds (distance) C4'-P energy: -157.900 bonds (distance) P-C4' energy: -163.925 flat angles C4'-P-C4' energy: -193.009 flat angles P-C4'-P energy: -125.289 tors. eta vs tors. theta energy: -253.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2636.337159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.337159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.337159 (E_RNA) where: Base-Base interactions energy: -1805.000 where: short stacking energy: -791.096 Base-Backbone interact. energy: -0.842 local terms energy: -830.494989 where: bonds (distance) C4'-P energy: -155.090 bonds (distance) P-C4' energy: -163.584 flat angles C4'-P-C4' energy: -196.392 flat angles P-C4'-P energy: -109.242 tors. eta vs tors. theta energy: -206.186 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: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2605.524793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.524793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.524793 (E_RNA) where: Base-Base interactions energy: -1766.871 where: short stacking energy: -813.262 Base-Backbone interact. energy: -1.097 local terms energy: -837.556646 where: bonds (distance) C4'-P energy: -150.440 bonds (distance) P-C4' energy: -161.143 flat angles C4'-P-C4' energy: -182.740 flat angles P-C4'-P energy: -121.654 tors. eta vs tors. theta energy: -221.579 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: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2428.892758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.892758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.892758 (E_RNA) where: Base-Base interactions energy: -1645.008 where: short stacking energy: -696.402 Base-Backbone interact. energy: -1.482 local terms energy: -782.402540 where: bonds (distance) C4'-P energy: -164.607 bonds (distance) P-C4' energy: -170.278 flat angles C4'-P-C4' energy: -181.502 flat angles P-C4'-P energy: -108.989 tors. eta vs tors. theta energy: -157.027 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: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2312.095356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.095356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.095356 (E_RNA) where: Base-Base interactions energy: -1542.013 where: short stacking energy: -696.348 Base-Backbone interact. energy: -2.308 local terms energy: -767.773842 where: bonds (distance) C4'-P energy: -133.010 bonds (distance) P-C4' energy: -179.336 flat angles C4'-P-C4' energy: -169.298 flat angles P-C4'-P energy: -118.759 tors. eta vs tors. theta energy: -167.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2037.474217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.474217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.474217 (E_RNA) where: Base-Base interactions energy: -1349.957 where: short stacking energy: -609.499 Base-Backbone interact. energy: -1.444 local terms energy: -686.073422 where: bonds (distance) C4'-P energy: -138.778 bonds (distance) P-C4' energy: -133.870 flat angles C4'-P-C4' energy: -155.023 flat angles P-C4'-P energy: -115.228 tors. eta vs tors. theta energy: -143.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1912.250414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.250414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.250414 (E_RNA) where: Base-Base interactions energy: -1257.079 where: short stacking energy: -553.396 Base-Backbone interact. energy: -0.245 local terms energy: -654.926802 where: bonds (distance) C4'-P energy: -149.302 bonds (distance) P-C4' energy: -147.114 flat angles C4'-P-C4' energy: -148.692 flat angles P-C4'-P energy: -93.600 tors. eta vs tors. theta energy: -116.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1794.662653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.662653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.662653 (E_RNA) where: Base-Base interactions energy: -1179.265 where: short stacking energy: -509.357 Base-Backbone interact. energy: 0.833 local terms energy: -616.230151 where: bonds (distance) C4'-P energy: -121.481 bonds (distance) P-C4' energy: -143.840 flat angles C4'-P-C4' energy: -148.943 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -110.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1399.127250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.127250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.127250 (E_RNA) where: Base-Base interactions energy: -870.567 where: short stacking energy: -417.232 Base-Backbone interact. energy: 4.826 local terms energy: -533.386264 where: bonds (distance) C4'-P energy: -124.498 bonds (distance) P-C4' energy: -140.608 flat angles C4'-P-C4' energy: -134.500 flat angles P-C4'-P energy: -74.334 tors. eta vs tors. theta energy: -59.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -971.633734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.633734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.633734 (E_RNA) where: Base-Base interactions energy: -499.278 where: short stacking energy: -283.909 Base-Backbone interact. energy: -0.155 local terms energy: -472.201167 where: bonds (distance) C4'-P energy: -140.782 bonds (distance) P-C4' energy: -131.642 flat angles C4'-P-C4' energy: -131.251 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2904.015817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.015817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.015817 (E_RNA) where: Base-Base interactions energy: -2006.456 where: short stacking energy: -910.941 Base-Backbone interact. energy: 1.039 local terms energy: -898.598885 where: bonds (distance) C4'-P energy: -164.577 bonds (distance) P-C4' energy: -168.218 flat angles C4'-P-C4' energy: -197.773 flat angles P-C4'-P energy: -115.269 tors. eta vs tors. theta energy: -252.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2660.529323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.529323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.529323 (E_RNA) where: Base-Base interactions energy: -1851.680 where: short stacking energy: -791.539 Base-Backbone interact. energy: 4.381 local terms energy: -813.229927 where: bonds (distance) C4'-P energy: -144.595 bonds (distance) P-C4' energy: -158.973 flat angles C4'-P-C4' energy: -183.853 flat angles P-C4'-P energy: -111.452 tors. eta vs tors. theta energy: -214.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2574.915491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.915491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.915491 (E_RNA) where: Base-Base interactions energy: -1772.855 where: short stacking energy: -770.911 Base-Backbone interact. energy: -4.375 local terms energy: -797.685754 where: bonds (distance) C4'-P energy: -161.492 bonds (distance) P-C4' energy: -144.638 flat angles C4'-P-C4' energy: -164.808 flat angles P-C4'-P energy: -121.982 tors. eta vs tors. theta energy: -204.766 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: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2394.355183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.355183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.355183 (E_RNA) where: Base-Base interactions energy: -1643.210 where: short stacking energy: -689.335 Base-Backbone interact. energy: 0.736 local terms energy: -751.881756 where: bonds (distance) C4'-P energy: -153.167 bonds (distance) P-C4' energy: -163.002 flat angles C4'-P-C4' energy: -173.065 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -156.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2253.619528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.619528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.619528 (E_RNA) where: Base-Base interactions energy: -1529.586 where: short stacking energy: -708.190 Base-Backbone interact. energy: -3.263 local terms energy: -720.769997 where: bonds (distance) C4'-P energy: -157.317 bonds (distance) P-C4' energy: -132.897 flat angles C4'-P-C4' energy: -155.008 flat angles P-C4'-P energy: -97.027 tors. eta vs tors. theta energy: -178.521 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: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2113.290946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.290946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.290946 (E_RNA) where: Base-Base interactions energy: -1379.726 where: short stacking energy: -629.357 Base-Backbone interact. energy: -0.766 local terms energy: -732.799532 where: bonds (distance) C4'-P energy: -157.669 bonds (distance) P-C4' energy: -144.941 flat angles C4'-P-C4' energy: -165.505 flat angles P-C4'-P energy: -98.082 tors. eta vs tors. theta energy: -166.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1909.992610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.992610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.992610 (E_RNA) where: Base-Base interactions energy: -1267.597 where: short stacking energy: -549.861 Base-Backbone interact. energy: 5.428 local terms energy: -647.823911 where: bonds (distance) C4'-P energy: -140.267 bonds (distance) P-C4' energy: -150.190 flat angles C4'-P-C4' energy: -151.076 flat angles P-C4'-P energy: -89.220 tors. eta vs tors. theta energy: -117.071 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: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1812.971935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.971935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.971935 (E_RNA) where: Base-Base interactions energy: -1169.472 where: short stacking energy: -542.857 Base-Backbone interact. energy: 14.879 local terms energy: -658.379076 where: bonds (distance) C4'-P energy: -152.744 bonds (distance) P-C4' energy: -134.053 flat angles C4'-P-C4' energy: -149.998 flat angles P-C4'-P energy: -85.296 tors. eta vs tors. theta energy: -136.287 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: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1411.944626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.944626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.944626 (E_RNA) where: Base-Base interactions energy: -866.995 where: short stacking energy: -433.393 Base-Backbone interact. energy: 1.653 local terms energy: -546.602232 where: bonds (distance) C4'-P energy: -135.042 bonds (distance) P-C4' energy: -144.439 flat angles C4'-P-C4' energy: -115.575 flat angles P-C4'-P energy: -92.655 tors. eta vs tors. theta energy: -58.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -919.621880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.621880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.621880 (E_RNA) where: Base-Base interactions energy: -472.289 where: short stacking energy: -301.525 Base-Backbone interact. energy: -1.479 local terms energy: -445.853467 where: bonds (distance) C4'-P energy: -105.685 bonds (distance) P-C4' energy: -132.272 flat angles C4'-P-C4' energy: -142.775 flat angles P-C4'-P energy: -60.586 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: 1, replica: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2934.336737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.336737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.336737 (E_RNA) where: Base-Base interactions energy: -2015.540 where: short stacking energy: -927.647 Base-Backbone interact. energy: -2.117 local terms energy: -916.679670 where: bonds (distance) C4'-P energy: -161.714 bonds (distance) P-C4' energy: -163.445 flat angles C4'-P-C4' energy: -199.768 flat angles P-C4'-P energy: -134.903 tors. eta vs tors. theta energy: -256.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2699.651007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.651007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.651007 (E_RNA) where: Base-Base interactions energy: -1839.241 where: short stacking energy: -789.057 Base-Backbone interact. energy: 2.068 local terms energy: -862.478169 where: bonds (distance) C4'-P energy: -170.510 bonds (distance) P-C4' energy: -185.740 flat angles C4'-P-C4' energy: -183.288 flat angles P-C4'-P energy: -115.211 tors. eta vs tors. theta energy: -207.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2615.130845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.130845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.130845 (E_RNA) where: Base-Base interactions energy: -1785.965 where: short stacking energy: -804.891 Base-Backbone interact. energy: -5.468 local terms energy: -823.697645 where: bonds (distance) C4'-P energy: -136.849 bonds (distance) P-C4' energy: -168.010 flat angles C4'-P-C4' energy: -178.465 flat angles P-C4'-P energy: -119.954 tors. eta vs tors. theta energy: -220.419 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: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2415.423886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.423886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.423886 (E_RNA) where: Base-Base interactions energy: -1641.962 where: short stacking energy: -712.344 Base-Backbone interact. energy: 0.950 local terms energy: -774.411732 where: bonds (distance) C4'-P energy: -160.110 bonds (distance) P-C4' energy: -169.859 flat angles C4'-P-C4' energy: -167.640 flat angles P-C4'-P energy: -101.037 tors. eta vs tors. theta energy: -175.765 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: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2292.038717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.038717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.038717 (E_RNA) where: Base-Base interactions energy: -1522.933 where: short stacking energy: -688.427 Base-Backbone interact. energy: -4.877 local terms energy: -764.227969 where: bonds (distance) C4'-P energy: -158.453 bonds (distance) P-C4' energy: -145.046 flat angles C4'-P-C4' energy: -161.562 flat angles P-C4'-P energy: -109.544 tors. eta vs tors. theta energy: -189.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2066.881515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.881515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.881515 (E_RNA) where: Base-Base interactions energy: -1379.129 where: short stacking energy: -636.266 Base-Backbone interact. energy: 4.172 local terms energy: -691.924679 where: bonds (distance) C4'-P energy: -145.551 bonds (distance) P-C4' energy: -132.476 flat angles C4'-P-C4' energy: -165.011 flat angles P-C4'-P energy: -102.514 tors. eta vs tors. theta energy: -146.373 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: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1878.332890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.332890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.332890 (E_RNA) where: Base-Base interactions energy: -1242.572 where: short stacking energy: -528.446 Base-Backbone interact. energy: 1.140 local terms energy: -636.900537 where: bonds (distance) C4'-P energy: -141.754 bonds (distance) P-C4' energy: -146.708 flat angles C4'-P-C4' energy: -152.843 flat angles P-C4'-P energy: -82.807 tors. eta vs tors. theta energy: -112.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1817.011738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.011738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.011738 (E_RNA) where: Base-Base interactions energy: -1201.339 where: short stacking energy: -512.211 Base-Backbone interact. energy: 2.399 local terms energy: -618.071966 where: bonds (distance) C4'-P energy: -137.842 bonds (distance) P-C4' energy: -141.680 flat angles C4'-P-C4' energy: -134.380 flat angles P-C4'-P energy: -84.880 tors. eta vs tors. theta energy: -119.290 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: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1350.789028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.789028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.789028 (E_RNA) where: Base-Base interactions energy: -797.784 where: short stacking energy: -367.702 Base-Backbone interact. energy: 2.522 local terms energy: -555.526826 where: bonds (distance) C4'-P energy: -150.907 bonds (distance) P-C4' energy: -149.863 flat angles C4'-P-C4' energy: -127.843 flat angles P-C4'-P energy: -83.341 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: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -906.953169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.953169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.953169 (E_RNA) where: Base-Base interactions energy: -457.820 where: short stacking energy: -253.488 Base-Backbone interact. energy: 7.706 local terms energy: -456.839606 where: bonds (distance) C4'-P energy: -138.500 bonds (distance) P-C4' energy: -147.445 flat angles C4'-P-C4' energy: -110.916 flat angles P-C4'-P energy: -72.566 tors. eta vs tors. theta energy: 12.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2936.659955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.659955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.659955 (E_RNA) where: Base-Base interactions energy: -2025.176 where: short stacking energy: -911.025 Base-Backbone interact. energy: -5.148 local terms energy: -906.336490 where: bonds (distance) C4'-P energy: -164.360 bonds (distance) P-C4' energy: -169.271 flat angles C4'-P-C4' energy: -188.940 flat angles P-C4'-P energy: -127.820 tors. eta vs tors. theta energy: -255.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2671.560218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.560218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.560218 (E_RNA) where: Base-Base interactions energy: -1841.399 where: short stacking energy: -792.604 Base-Backbone interact. energy: -3.884 local terms energy: -826.276904 where: bonds (distance) C4'-P energy: -166.822 bonds (distance) P-C4' energy: -143.924 flat angles C4'-P-C4' energy: -198.872 flat angles P-C4'-P energy: -102.053 tors. eta vs tors. theta energy: -214.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2593.258527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.258527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.258527 (E_RNA) where: Base-Base interactions energy: -1764.474 where: short stacking energy: -786.465 Base-Backbone interact. energy: -0.633 local terms energy: -828.150621 where: bonds (distance) C4'-P energy: -147.223 bonds (distance) P-C4' energy: -178.349 flat angles C4'-P-C4' energy: -182.986 flat angles P-C4'-P energy: -111.689 tors. eta vs tors. theta energy: -207.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2400.412856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.412856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.412856 (E_RNA) where: Base-Base interactions energy: -1643.243 where: short stacking energy: -726.000 Base-Backbone interact. energy: -0.250 local terms energy: -756.919943 where: bonds (distance) C4'-P energy: -145.898 bonds (distance) P-C4' energy: -167.007 flat angles C4'-P-C4' energy: -156.264 flat angles P-C4'-P energy: -101.770 tors. eta vs tors. theta energy: -185.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2295.981145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.981145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.981145 (E_RNA) where: Base-Base interactions energy: -1542.033 where: short stacking energy: -687.699 Base-Backbone interact. energy: -2.243 local terms energy: -751.705786 where: bonds (distance) C4'-P energy: -159.811 bonds (distance) P-C4' energy: -156.308 flat angles C4'-P-C4' energy: -162.377 flat angles P-C4'-P energy: -101.760 tors. eta vs tors. theta energy: -171.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2087.823013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.823013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.823013 (E_RNA) where: Base-Base interactions energy: -1399.190 where: short stacking energy: -648.547 Base-Backbone interact. energy: 1.924 local terms energy: -690.556707 where: bonds (distance) C4'-P energy: -138.597 bonds (distance) P-C4' energy: -138.618 flat angles C4'-P-C4' energy: -160.208 flat angles P-C4'-P energy: -88.916 tors. eta vs tors. theta energy: -164.218 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: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1870.397578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.397578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.397578 (E_RNA) where: Base-Base interactions energy: -1247.846 where: short stacking energy: -564.055 Base-Backbone interact. energy: 7.004 local terms energy: -629.555836 where: bonds (distance) C4'-P energy: -123.300 bonds (distance) P-C4' energy: -163.338 flat angles C4'-P-C4' energy: -144.330 flat angles P-C4'-P energy: -78.523 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: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1837.022080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.022080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.022080 (E_RNA) where: Base-Base interactions energy: -1157.134 where: short stacking energy: -495.809 Base-Backbone interact. energy: -2.577 local terms energy: -677.311088 where: bonds (distance) C4'-P energy: -154.994 bonds (distance) P-C4' energy: -147.807 flat angles C4'-P-C4' energy: -149.098 flat angles P-C4'-P energy: -110.138 tors. eta vs tors. theta energy: -115.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1409.339946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.339946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.339946 (E_RNA) where: Base-Base interactions energy: -902.263 where: short stacking energy: -417.882 Base-Backbone interact. energy: 1.259 local terms energy: -508.336617 where: bonds (distance) C4'-P energy: -145.496 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -105.084 flat angles P-C4'-P energy: -75.964 tors. eta vs tors. theta energy: -60.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -920.600672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.600672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.600672 (E_RNA) where: Base-Base interactions energy: -505.097 where: short stacking energy: -300.609 Base-Backbone interact. energy: 3.963 local terms energy: -419.466303 where: bonds (distance) C4'-P energy: -111.285 bonds (distance) P-C4' energy: -141.534 flat angles C4'-P-C4' energy: -93.480 flat angles P-C4'-P energy: -67.896 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2937.128176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.128176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.128176 (E_RNA) where: Base-Base interactions energy: -2049.149 where: short stacking energy: -896.163 Base-Backbone interact. energy: 1.443 local terms energy: -889.421688 where: bonds (distance) C4'-P energy: -175.953 bonds (distance) P-C4' energy: -156.032 flat angles C4'-P-C4' energy: -189.628 flat angles P-C4'-P energy: -111.617 tors. eta vs tors. theta energy: -256.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2670.135717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.135717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.135717 (E_RNA) where: Base-Base interactions energy: -1842.836 where: short stacking energy: -810.596 Base-Backbone interact. energy: -2.374 local terms energy: -824.925616 where: bonds (distance) C4'-P energy: -154.550 bonds (distance) P-C4' energy: -175.496 flat angles C4'-P-C4' energy: -183.637 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -209.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2588.961882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.961882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.961882 (E_RNA) where: Base-Base interactions energy: -1769.166 where: short stacking energy: -760.675 Base-Backbone interact. energy: -4.599 local terms energy: -815.196775 where: bonds (distance) C4'-P energy: -162.527 bonds (distance) P-C4' energy: -161.848 flat angles C4'-P-C4' energy: -163.747 flat angles P-C4'-P energy: -124.709 tors. eta vs tors. theta energy: -202.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2434.071223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.071223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.071223 (E_RNA) where: Base-Base interactions energy: -1660.378 where: short stacking energy: -708.115 Base-Backbone interact. energy: -0.588 local terms energy: -773.104576 where: bonds (distance) C4'-P energy: -147.182 bonds (distance) P-C4' energy: -158.646 flat angles C4'-P-C4' energy: -169.479 flat angles P-C4'-P energy: -117.277 tors. eta vs tors. theta energy: -180.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2305.603878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.603878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.603878 (E_RNA) where: Base-Base interactions energy: -1547.281 where: short stacking energy: -716.051 Base-Backbone interact. energy: -3.441 local terms energy: -754.881825 where: bonds (distance) C4'-P energy: -153.029 bonds (distance) P-C4' energy: -132.694 flat angles C4'-P-C4' energy: -171.208 flat angles P-C4'-P energy: -101.083 tors. eta vs tors. theta energy: -196.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2060.333726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.333726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.333726 (E_RNA) where: Base-Base interactions energy: -1365.240 where: short stacking energy: -613.734 Base-Backbone interact. energy: -0.284 local terms energy: -694.810414 where: bonds (distance) C4'-P energy: -133.084 bonds (distance) P-C4' energy: -153.044 flat angles C4'-P-C4' energy: -164.712 flat angles P-C4'-P energy: -92.800 tors. eta vs tors. theta energy: -151.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1872.506875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.506875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.506875 (E_RNA) where: Base-Base interactions energy: -1239.583 where: short stacking energy: -517.149 Base-Backbone interact. energy: 1.620 local terms energy: -634.543569 where: bonds (distance) C4'-P energy: -142.123 bonds (distance) P-C4' energy: -156.197 flat angles C4'-P-C4' energy: -146.847 flat angles P-C4'-P energy: -92.058 tors. eta vs tors. theta energy: -97.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1788.915417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.915417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.915417 (E_RNA) where: Base-Base interactions energy: -1206.045 where: short stacking energy: -491.492 Base-Backbone interact. energy: 1.168 local terms energy: -584.038090 where: bonds (distance) C4'-P energy: -116.844 bonds (distance) P-C4' energy: -147.108 flat angles C4'-P-C4' energy: -141.809 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -102.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1347.049491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.049491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.049491 (E_RNA) where: Base-Base interactions energy: -805.780 where: short stacking energy: -387.062 Base-Backbone interact. energy: 9.821 local terms energy: -551.090586 where: bonds (distance) C4'-P energy: -136.193 bonds (distance) P-C4' energy: -148.477 flat angles C4'-P-C4' energy: -146.619 flat angles P-C4'-P energy: -71.200 tors. eta vs tors. theta energy: -48.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1054.428025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.428025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.428025 (E_RNA) where: Base-Base interactions energy: -613.231 where: short stacking energy: -327.514 Base-Backbone interact. energy: 5.389 local terms energy: -446.585676 where: bonds (distance) C4'-P energy: -107.834 bonds (distance) P-C4' energy: -142.121 flat angles C4'-P-C4' energy: -105.654 flat angles P-C4'-P energy: -71.319 tors. eta vs tors. theta energy: -19.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2901.380084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.380084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.380084 (E_RNA) where: Base-Base interactions energy: -2025.829 where: short stacking energy: -906.802 Base-Backbone interact. energy: 6.456 local terms energy: -882.007138 where: bonds (distance) C4'-P energy: -165.044 bonds (distance) P-C4' energy: -170.767 flat angles C4'-P-C4' energy: -177.589 flat angles P-C4'-P energy: -122.251 tors. eta vs tors. theta energy: -246.355 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: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2711.363952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.363952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.363952 (E_RNA) where: Base-Base interactions energy: -1871.787 where: short stacking energy: -789.787 Base-Backbone interact. energy: -5.055 local terms energy: -834.522256 where: bonds (distance) C4'-P energy: -155.273 bonds (distance) P-C4' energy: -166.427 flat angles C4'-P-C4' energy: -184.423 flat angles P-C4'-P energy: -118.830 tors. eta vs tors. theta energy: -209.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2538.290363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.290363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.290363 (E_RNA) where: Base-Base interactions energy: -1715.959 where: short stacking energy: -737.035 Base-Backbone interact. energy: -2.071 local terms energy: -820.260587 where: bonds (distance) C4'-P energy: -165.681 bonds (distance) P-C4' energy: -167.772 flat angles C4'-P-C4' energy: -182.684 flat angles P-C4'-P energy: -111.852 tors. eta vs tors. theta energy: -192.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2452.373924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.373924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.373924 (E_RNA) where: Base-Base interactions energy: -1657.401 where: short stacking energy: -717.835 Base-Backbone interact. energy: -2.211 local terms energy: -792.762538 where: bonds (distance) C4'-P energy: -157.279 bonds (distance) P-C4' energy: -182.429 flat angles C4'-P-C4' energy: -165.218 flat angles P-C4'-P energy: -99.596 tors. eta vs tors. theta energy: -188.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2282.269304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.269304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.269304 (E_RNA) where: Base-Base interactions energy: -1568.530 where: short stacking energy: -682.254 Base-Backbone interact. energy: -1.719 local terms energy: -712.020477 where: bonds (distance) C4'-P energy: -134.153 bonds (distance) P-C4' energy: -160.242 flat angles C4'-P-C4' energy: -164.410 flat angles P-C4'-P energy: -82.528 tors. eta vs tors. theta energy: -170.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2079.072710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.072710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.072710 (E_RNA) where: Base-Base interactions energy: -1402.547 where: short stacking energy: -615.695 Base-Backbone interact. energy: 4.865 local terms energy: -681.390332 where: bonds (distance) C4'-P energy: -142.423 bonds (distance) P-C4' energy: -166.642 flat angles C4'-P-C4' energy: -153.793 flat angles P-C4'-P energy: -82.746 tors. eta vs tors. theta energy: -135.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1943.033042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.033042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.033042 (E_RNA) where: Base-Base interactions energy: -1298.342 where: short stacking energy: -570.148 Base-Backbone interact. energy: -0.509 local terms energy: -644.182172 where: bonds (distance) C4'-P energy: -121.748 bonds (distance) P-C4' energy: -136.340 flat angles C4'-P-C4' energy: -152.922 flat angles P-C4'-P energy: -98.007 tors. eta vs tors. theta energy: -135.165 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: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1722.903063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.903063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.903063 (E_RNA) where: Base-Base interactions energy: -1116.821 where: short stacking energy: -507.151 Base-Backbone interact. energy: -0.435 local terms energy: -605.647378 where: bonds (distance) C4'-P energy: -140.138 bonds (distance) P-C4' energy: -146.416 flat angles C4'-P-C4' energy: -137.942 flat angles P-C4'-P energy: -83.704 tors. eta vs tors. theta energy: -97.448 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: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1358.941926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.941926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.941926 (E_RNA) where: Base-Base interactions energy: -855.406 where: short stacking energy: -433.386 Base-Backbone interact. energy: 4.314 local terms energy: -507.849593 where: bonds (distance) C4'-P energy: -141.420 bonds (distance) P-C4' energy: -134.862 flat angles C4'-P-C4' energy: -102.106 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -64.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1116.040522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.040522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.040522 (E_RNA) where: Base-Base interactions energy: -642.535 where: short stacking energy: -325.542 Base-Backbone interact. energy: 2.309 local terms energy: -475.814850 where: bonds (distance) C4'-P energy: -113.191 bonds (distance) P-C4' energy: -149.444 flat angles C4'-P-C4' energy: -146.250 flat angles P-C4'-P energy: -50.732 tors. eta vs tors. theta energy: -16.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2922.251231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.251231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.251231 (E_RNA) where: Base-Base interactions energy: -2029.061 where: short stacking energy: -911.540 Base-Backbone interact. energy: -3.038 local terms energy: -890.153051 where: bonds (distance) C4'-P energy: -159.935 bonds (distance) P-C4' energy: -165.784 flat angles C4'-P-C4' energy: -189.728 flat angles P-C4'-P energy: -120.274 tors. eta vs tors. theta energy: -254.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2715.584489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.584489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.584489 (E_RNA) where: Base-Base interactions energy: -1846.116 where: short stacking energy: -814.143 Base-Backbone interact. energy: -4.852 local terms energy: -864.616853 where: bonds (distance) C4'-P energy: -161.762 bonds (distance) P-C4' energy: -164.304 flat angles C4'-P-C4' energy: -182.587 flat angles P-C4'-P energy: -142.526 tors. eta vs tors. theta energy: -213.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2531.109257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.109257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.109257 (E_RNA) where: Base-Base interactions energy: -1720.259 where: short stacking energy: -746.239 Base-Backbone interact. energy: -3.467 local terms energy: -807.383215 where: bonds (distance) C4'-P energy: -167.349 bonds (distance) P-C4' energy: -155.381 flat angles C4'-P-C4' energy: -176.008 flat angles P-C4'-P energy: -109.210 tors. eta vs tors. theta energy: -199.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2456.354218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.354218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.354218 (E_RNA) where: Base-Base interactions energy: -1686.335 where: short stacking energy: -711.750 Base-Backbone interact. energy: -1.505 local terms energy: -768.514165 where: bonds (distance) C4'-P energy: -150.178 bonds (distance) P-C4' energy: -161.495 flat angles C4'-P-C4' energy: -174.645 flat angles P-C4'-P energy: -112.936 tors. eta vs tors. theta energy: -169.261 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: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2271.727753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.727753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.727753 (E_RNA) where: Base-Base interactions energy: -1514.360 where: short stacking energy: -645.365 Base-Backbone interact. energy: -5.083 local terms energy: -752.284378 where: bonds (distance) C4'-P energy: -135.482 bonds (distance) P-C4' energy: -163.346 flat angles C4'-P-C4' energy: -172.629 flat angles P-C4'-P energy: -107.351 tors. eta vs tors. theta energy: -173.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2094.176118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.176118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.176118 (E_RNA) where: Base-Base interactions energy: -1382.703 where: short stacking energy: -618.742 Base-Backbone interact. energy: -3.209 local terms energy: -708.264390 where: bonds (distance) C4'-P energy: -154.502 bonds (distance) P-C4' energy: -149.215 flat angles C4'-P-C4' energy: -167.195 flat angles P-C4'-P energy: -91.775 tors. eta vs tors. theta energy: -145.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1889.409493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.409493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.409493 (E_RNA) where: Base-Base interactions energy: -1275.721 where: short stacking energy: -546.875 Base-Backbone interact. energy: -4.257 local terms energy: -609.431434 where: bonds (distance) C4'-P energy: -136.160 bonds (distance) P-C4' energy: -141.498 flat angles C4'-P-C4' energy: -146.900 flat angles P-C4'-P energy: -78.217 tors. eta vs tors. theta energy: -106.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1736.646947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.646947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.646947 (E_RNA) where: Base-Base interactions energy: -1139.030 where: short stacking energy: -521.513 Base-Backbone interact. energy: 1.341 local terms energy: -598.958730 where: bonds (distance) C4'-P energy: -142.787 bonds (distance) P-C4' energy: -131.751 flat angles C4'-P-C4' energy: -144.347 flat angles P-C4'-P energy: -87.209 tors. eta vs tors. theta energy: -92.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1351.011878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.011878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.011878 (E_RNA) where: Base-Base interactions energy: -802.684 where: short stacking energy: -410.474 Base-Backbone interact. energy: -5.448 local terms energy: -542.879789 where: bonds (distance) C4'-P energy: -147.297 bonds (distance) P-C4' energy: -132.629 flat angles C4'-P-C4' energy: -141.467 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -49.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1132.057973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.057973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.057973 (E_RNA) where: Base-Base interactions energy: -661.875 where: short stacking energy: -339.389 Base-Backbone interact. energy: -1.253 local terms energy: -468.930380 where: bonds (distance) C4'-P energy: -108.540 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -136.447 flat angles P-C4'-P energy: -67.800 tors. eta vs tors. theta energy: -13.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2928.035600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.035600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.035600 (E_RNA) where: Base-Base interactions energy: -2002.011 where: short stacking energy: -893.178 Base-Backbone interact. energy: 2.514 local terms energy: -928.539224 where: bonds (distance) C4'-P energy: -180.552 bonds (distance) P-C4' energy: -179.175 flat angles C4'-P-C4' energy: -197.659 flat angles P-C4'-P energy: -122.397 tors. eta vs tors. theta energy: -248.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2693.555441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.555441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.555441 (E_RNA) where: Base-Base interactions energy: -1844.464 where: short stacking energy: -801.533 Base-Backbone interact. energy: -4.012 local terms energy: -845.079686 where: bonds (distance) C4'-P energy: -152.822 bonds (distance) P-C4' energy: -166.884 flat angles C4'-P-C4' energy: -185.916 flat angles P-C4'-P energy: -117.583 tors. eta vs tors. theta energy: -221.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2500.255613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.255613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.255613 (E_RNA) where: Base-Base interactions energy: -1682.936 where: short stacking energy: -735.027 Base-Backbone interact. energy: -7.237 local terms energy: -810.082789 where: bonds (distance) C4'-P energy: -166.964 bonds (distance) P-C4' energy: -171.829 flat angles C4'-P-C4' energy: -179.054 flat angles P-C4'-P energy: -99.364 tors. eta vs tors. theta energy: -192.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2471.508391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.508391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.508391 (E_RNA) where: Base-Base interactions energy: -1681.586 where: short stacking energy: -723.729 Base-Backbone interact. energy: -2.433 local terms energy: -787.489019 where: bonds (distance) C4'-P energy: -158.516 bonds (distance) P-C4' energy: -158.996 flat angles C4'-P-C4' energy: -160.607 flat angles P-C4'-P energy: -117.892 tors. eta vs tors. theta energy: -191.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2303.839110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.839110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.839110 (E_RNA) where: Base-Base interactions energy: -1568.398 where: short stacking energy: -695.888 Base-Backbone interact. energy: 3.538 local terms energy: -738.979435 where: bonds (distance) C4'-P energy: -158.555 bonds (distance) P-C4' energy: -140.854 flat angles C4'-P-C4' energy: -166.781 flat angles P-C4'-P energy: -96.690 tors. eta vs tors. theta energy: -176.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2070.454160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.454160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.454160 (E_RNA) where: Base-Base interactions energy: -1367.854 where: short stacking energy: -673.369 Base-Backbone interact. energy: 0.045 local terms energy: -702.644670 where: bonds (distance) C4'-P energy: -137.854 bonds (distance) P-C4' energy: -142.850 flat angles C4'-P-C4' energy: -160.170 flat angles P-C4'-P energy: -109.170 tors. eta vs tors. theta energy: -152.600 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: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1953.295192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.295192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.295192 (E_RNA) where: Base-Base interactions energy: -1279.750 where: short stacking energy: -567.059 Base-Backbone interact. energy: -5.344 local terms energy: -668.200933 where: bonds (distance) C4'-P energy: -124.633 bonds (distance) P-C4' energy: -159.716 flat angles C4'-P-C4' energy: -150.367 flat angles P-C4'-P energy: -97.216 tors. eta vs tors. theta energy: -136.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1772.749244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.749244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.749244 (E_RNA) where: Base-Base interactions energy: -1142.692 where: short stacking energy: -525.073 Base-Backbone interact. energy: 0.263 local terms energy: -630.320786 where: bonds (distance) C4'-P energy: -143.927 bonds (distance) P-C4' energy: -134.273 flat angles C4'-P-C4' energy: -151.004 flat angles P-C4'-P energy: -101.449 tors. eta vs tors. theta energy: -99.667 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: 4 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1287.628043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.628043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.628043 (E_RNA) where: Base-Base interactions energy: -798.370 where: short stacking energy: -374.856 Base-Backbone interact. energy: 5.240 local terms energy: -494.497961 where: bonds (distance) C4'-P energy: -128.093 bonds (distance) P-C4' energy: -127.767 flat angles C4'-P-C4' energy: -127.741 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -44.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1067.203674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.203674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.203674 (E_RNA) where: Base-Base interactions energy: -590.663 where: short stacking energy: -309.605 Base-Backbone interact. energy: -2.476 local terms energy: -474.064572 where: bonds (distance) C4'-P energy: -131.114 bonds (distance) P-C4' energy: -132.181 flat angles C4'-P-C4' energy: -117.292 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2899.646626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.646626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.646626 (E_RNA) where: Base-Base interactions energy: -2008.648 where: short stacking energy: -895.097 Base-Backbone interact. energy: -4.167 local terms energy: -886.832282 where: bonds (distance) C4'-P energy: -166.489 bonds (distance) P-C4' energy: -164.994 flat angles C4'-P-C4' energy: -188.038 flat angles P-C4'-P energy: -114.570 tors. eta vs tors. theta energy: -252.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2723.774983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.774983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.774983 (E_RNA) where: Base-Base interactions energy: -1839.431 where: short stacking energy: -804.389 Base-Backbone interact. energy: -1.460 local terms energy: -882.883058 where: bonds (distance) C4'-P energy: -186.506 bonds (distance) P-C4' energy: -166.019 flat angles C4'-P-C4' energy: -172.232 flat angles P-C4'-P energy: -130.618 tors. eta vs tors. theta energy: -227.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2507.300759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.300759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.300759 (E_RNA) where: Base-Base interactions energy: -1691.027 where: short stacking energy: -723.813 Base-Backbone interact. energy: -0.779 local terms energy: -815.494847 where: bonds (distance) C4'-P energy: -156.677 bonds (distance) P-C4' energy: -164.331 flat angles C4'-P-C4' energy: -172.404 flat angles P-C4'-P energy: -128.594 tors. eta vs tors. theta energy: -193.489 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: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2399.375367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.375367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.375367 (E_RNA) where: Base-Base interactions energy: -1611.048 where: short stacking energy: -720.631 Base-Backbone interact. energy: -5.091 local terms energy: -783.236665 where: bonds (distance) C4'-P energy: -135.418 bonds (distance) P-C4' energy: -148.818 flat angles C4'-P-C4' energy: -195.550 flat angles P-C4'-P energy: -111.025 tors. eta vs tors. theta energy: -192.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2248.253845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.253845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.253845 (E_RNA) where: Base-Base interactions energy: -1529.188 where: short stacking energy: -641.117 Base-Backbone interact. energy: 0.330 local terms energy: -719.395153 where: bonds (distance) C4'-P energy: -132.581 bonds (distance) P-C4' energy: -162.347 flat angles C4'-P-C4' energy: -168.081 flat angles P-C4'-P energy: -96.792 tors. eta vs tors. theta energy: -159.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2093.636808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.636808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.636808 (E_RNA) where: Base-Base interactions energy: -1390.570 where: short stacking energy: -612.218 Base-Backbone interact. energy: 0.552 local terms energy: -703.618875 where: bonds (distance) C4'-P energy: -135.356 bonds (distance) P-C4' energy: -157.594 flat angles C4'-P-C4' energy: -150.524 flat angles P-C4'-P energy: -111.413 tors. eta vs tors. theta energy: -148.732 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: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2017.267182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.267182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.267182 (E_RNA) where: Base-Base interactions energy: -1326.756 where: short stacking energy: -581.335 Base-Backbone interact. energy: -1.535 local terms energy: -688.976178 where: bonds (distance) C4'-P energy: -152.337 bonds (distance) P-C4' energy: -145.459 flat angles C4'-P-C4' energy: -157.998 flat angles P-C4'-P energy: -104.950 tors. eta vs tors. theta energy: -128.232 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: 105 Temperature: 1.250000 Total energy: -1833.702715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.702715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.702715 (E_RNA) where: Base-Base interactions energy: -1208.636 where: short stacking energy: -542.467 Base-Backbone interact. energy: -2.799 local terms energy: -622.267951 where: bonds (distance) C4'-P energy: -138.833 bonds (distance) P-C4' energy: -145.008 flat angles C4'-P-C4' energy: -133.279 flat angles P-C4'-P energy: -91.109 tors. eta vs tors. theta energy: -114.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1308.881200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.881200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.881200 (E_RNA) where: Base-Base interactions energy: -773.481 where: short stacking energy: -395.560 Base-Backbone interact. energy: 11.061 local terms energy: -546.460624 where: bonds (distance) C4'-P energy: -125.818 bonds (distance) P-C4' energy: -139.277 flat angles C4'-P-C4' energy: -144.824 flat angles P-C4'-P energy: -69.684 tors. eta vs tors. theta energy: -66.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1026.473760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.473760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.473760 (E_RNA) where: Base-Base interactions energy: -551.755 where: short stacking energy: -291.012 Base-Backbone interact. energy: 0.302 local terms energy: -475.021008 where: bonds (distance) C4'-P energy: -145.296 bonds (distance) P-C4' energy: -137.239 flat angles C4'-P-C4' energy: -116.965 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: -13.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2897.696816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.696816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.696816 (E_RNA) where: Base-Base interactions energy: -1991.282 where: short stacking energy: -903.166 Base-Backbone interact. energy: -1.114 local terms energy: -905.300444 where: bonds (distance) C4'-P energy: -166.021 bonds (distance) P-C4' energy: -189.670 flat angles C4'-P-C4' energy: -195.275 flat angles P-C4'-P energy: -113.361 tors. eta vs tors. theta energy: -240.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2636.015389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.015389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.015389 (E_RNA) where: Base-Base interactions energy: -1796.437 where: short stacking energy: -800.821 Base-Backbone interact. energy: -2.445 local terms energy: -837.132878 where: bonds (distance) C4'-P energy: -141.563 bonds (distance) P-C4' energy: -165.334 flat angles C4'-P-C4' energy: -182.251 flat angles P-C4'-P energy: -136.630 tors. eta vs tors. theta energy: -211.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2471.751807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.751807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.751807 (E_RNA) where: Base-Base interactions energy: -1670.627 where: short stacking energy: -714.745 Base-Backbone interact. energy: -3.556 local terms energy: -797.568714 where: bonds (distance) C4'-P energy: -165.187 bonds (distance) P-C4' energy: -149.322 flat angles C4'-P-C4' energy: -182.705 flat angles P-C4'-P energy: -118.585 tors. eta vs tors. theta energy: -181.770 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: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2428.785101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.785101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.785101 (E_RNA) where: Base-Base interactions energy: -1661.995 where: short stacking energy: -743.519 Base-Backbone interact. energy: -4.704 local terms energy: -762.086168 where: bonds (distance) C4'-P energy: -153.454 bonds (distance) P-C4' energy: -155.623 flat angles C4'-P-C4' energy: -156.373 flat angles P-C4'-P energy: -100.097 tors. eta vs tors. theta energy: -196.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2239.921507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.921507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.921507 (E_RNA) where: Base-Base interactions energy: -1486.890 where: short stacking energy: -658.638 Base-Backbone interact. energy: -2.318 local terms energy: -750.713680 where: bonds (distance) C4'-P energy: -145.754 bonds (distance) P-C4' energy: -162.796 flat angles C4'-P-C4' energy: -171.141 flat angles P-C4'-P energy: -94.382 tors. eta vs tors. theta energy: -176.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2050.477247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.477247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.477247 (E_RNA) where: Base-Base interactions energy: -1351.885 where: short stacking energy: -603.611 Base-Backbone interact. energy: -3.039 local terms energy: -695.553441 where: bonds (distance) C4'-P energy: -143.702 bonds (distance) P-C4' energy: -157.567 flat angles C4'-P-C4' energy: -157.788 flat angles P-C4'-P energy: -96.826 tors. eta vs tors. theta energy: -139.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1960.923198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.923198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.923198 (E_RNA) where: Base-Base interactions energy: -1325.003 where: short stacking energy: -580.300 Base-Backbone interact. energy: 7.360 local terms energy: -643.279511 where: bonds (distance) C4'-P energy: -125.462 bonds (distance) P-C4' energy: -141.322 flat angles C4'-P-C4' energy: -152.058 flat angles P-C4'-P energy: -95.050 tors. eta vs tors. theta energy: -129.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1778.552635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.552635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.552635 (E_RNA) where: Base-Base interactions energy: -1187.113 where: short stacking energy: -516.008 Base-Backbone interact. energy: -2.517 local terms energy: -588.923096 where: bonds (distance) C4'-P energy: -149.281 bonds (distance) P-C4' energy: -142.474 flat angles C4'-P-C4' energy: -137.225 flat angles P-C4'-P energy: -72.614 tors. eta vs tors. theta energy: -87.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1211.892268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.892268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.892268 (E_RNA) where: Base-Base interactions energy: -695.580 where: short stacking energy: -350.601 Base-Backbone interact. energy: 6.378 local terms energy: -522.689389 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -136.647 flat angles C4'-P-C4' energy: -122.167 flat angles P-C4'-P energy: -71.349 tors. eta vs tors. theta energy: -66.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1032.556821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.556821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.556821 (E_RNA) where: Base-Base interactions energy: -562.561 where: short stacking energy: -283.526 Base-Backbone interact. energy: 0.371 local terms energy: -470.366803 where: bonds (distance) C4'-P energy: -140.224 bonds (distance) P-C4' energy: -123.640 flat angles C4'-P-C4' energy: -107.782 flat angles P-C4'-P energy: -78.188 tors. eta vs tors. theta energy: -20.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2888.401203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.401203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.401203 (E_RNA) where: Base-Base interactions energy: -2007.809 where: short stacking energy: -884.501 Base-Backbone interact. energy: -3.530 local terms energy: -877.061888 where: bonds (distance) C4'-P energy: -162.897 bonds (distance) P-C4' energy: -168.683 flat angles C4'-P-C4' energy: -186.154 flat angles P-C4'-P energy: -126.279 tors. eta vs tors. theta energy: -233.050 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: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2683.494276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.494276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.494276 (E_RNA) where: Base-Base interactions energy: -1850.050 where: short stacking energy: -802.881 Base-Backbone interact. energy: -4.633 local terms energy: -828.811949 where: bonds (distance) C4'-P energy: -161.856 bonds (distance) P-C4' energy: -159.221 flat angles C4'-P-C4' energy: -179.968 flat angles P-C4'-P energy: -116.894 tors. eta vs tors. theta energy: -210.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2516.220003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.220003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.220003 (E_RNA) where: Base-Base interactions energy: -1746.184 where: short stacking energy: -741.062 Base-Backbone interact. energy: -1.308 local terms energy: -768.727862 where: bonds (distance) C4'-P energy: -119.467 bonds (distance) P-C4' energy: -168.663 flat angles C4'-P-C4' energy: -172.392 flat angles P-C4'-P energy: -117.701 tors. eta vs tors. theta energy: -190.505 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: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2440.984866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.984866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.984866 (E_RNA) where: Base-Base interactions energy: -1659.586 where: short stacking energy: -732.428 Base-Backbone interact. energy: -6.177 local terms energy: -775.222555 where: bonds (distance) C4'-P energy: -154.409 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -173.273 flat angles P-C4'-P energy: -107.334 tors. eta vs tors. theta energy: -201.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2348.090527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.090527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.090527 (E_RNA) where: Base-Base interactions energy: -1590.291 where: short stacking energy: -673.293 Base-Backbone interact. energy: 1.024 local terms energy: -758.823260 where: bonds (distance) C4'-P energy: -151.610 bonds (distance) P-C4' energy: -163.242 flat angles C4'-P-C4' energy: -181.390 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -159.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2103.098245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.098245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.098245 (E_RNA) where: Base-Base interactions energy: -1376.255 where: short stacking energy: -648.385 Base-Backbone interact. energy: -2.048 local terms energy: -724.795184 where: bonds (distance) C4'-P energy: -145.853 bonds (distance) P-C4' energy: -153.286 flat angles C4'-P-C4' energy: -175.579 flat angles P-C4'-P energy: -101.193 tors. eta vs tors. theta energy: -148.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1958.055236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.055236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.055236 (E_RNA) where: Base-Base interactions energy: -1314.572 where: short stacking energy: -584.612 Base-Backbone interact. energy: -0.421 local terms energy: -643.062834 where: bonds (distance) C4'-P energy: -133.896 bonds (distance) P-C4' energy: -148.291 flat angles C4'-P-C4' energy: -146.841 flat angles P-C4'-P energy: -88.025 tors. eta vs tors. theta energy: -126.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1731.067554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.067554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.067554 (E_RNA) where: Base-Base interactions energy: -1123.880 where: short stacking energy: -500.724 Base-Backbone interact. energy: -3.800 local terms energy: -603.387778 where: bonds (distance) C4'-P energy: -150.366 bonds (distance) P-C4' energy: -115.245 flat angles C4'-P-C4' energy: -143.803 flat angles P-C4'-P energy: -92.188 tors. eta vs tors. theta energy: -101.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1268.727510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.727510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.727510 (E_RNA) where: Base-Base interactions energy: -728.560 where: short stacking energy: -355.743 Base-Backbone interact. energy: -2.435 local terms energy: -537.732626 where: bonds (distance) C4'-P energy: -128.555 bonds (distance) P-C4' energy: -140.063 flat angles C4'-P-C4' energy: -137.832 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -39.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -956.430410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.430410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.430410 (E_RNA) where: Base-Base interactions energy: -537.884 where: short stacking energy: -290.154 Base-Backbone interact. energy: 2.410 local terms energy: -420.956891 where: bonds (distance) C4'-P energy: -122.098 bonds (distance) P-C4' energy: -125.695 flat angles C4'-P-C4' energy: -109.789 flat angles P-C4'-P energy: -57.820 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2893.444811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.444811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.444811 (E_RNA) where: Base-Base interactions energy: -1985.384 where: short stacking energy: -891.169 Base-Backbone interact. energy: -1.207 local terms energy: -906.854131 where: bonds (distance) C4'-P energy: -176.697 bonds (distance) P-C4' energy: -163.999 flat angles C4'-P-C4' energy: -201.350 flat angles P-C4'-P energy: -121.069 tors. eta vs tors. theta energy: -243.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2755.869474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.869474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.869474 (E_RNA) where: Base-Base interactions energy: -1922.039 where: short stacking energy: -830.865 Base-Backbone interact. energy: -1.985 local terms energy: -831.845327 where: bonds (distance) C4'-P energy: -147.789 bonds (distance) P-C4' energy: -166.629 flat angles C4'-P-C4' energy: -177.353 flat angles P-C4'-P energy: -126.496 tors. eta vs tors. theta energy: -213.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2509.682906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.682906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.682906 (E_RNA) where: Base-Base interactions energy: -1697.878 where: short stacking energy: -764.030 Base-Backbone interact. energy: -5.361 local terms energy: -806.443459 where: bonds (distance) C4'-P energy: -150.382 bonds (distance) P-C4' energy: -168.646 flat angles C4'-P-C4' energy: -166.829 flat angles P-C4'-P energy: -108.672 tors. eta vs tors. theta energy: -211.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2438.569628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.569628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.569628 (E_RNA) where: Base-Base interactions energy: -1655.222 where: short stacking energy: -696.747 Base-Backbone interact. energy: -2.584 local terms energy: -780.763889 where: bonds (distance) C4'-P energy: -161.471 bonds (distance) P-C4' energy: -155.678 flat angles C4'-P-C4' energy: -171.754 flat angles P-C4'-P energy: -116.214 tors. eta vs tors. theta energy: -175.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2284.292368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.292368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.292368 (E_RNA) where: Base-Base interactions energy: -1544.541 where: short stacking energy: -665.346 Base-Backbone interact. energy: -3.079 local terms energy: -736.672547 where: bonds (distance) C4'-P energy: -150.231 bonds (distance) P-C4' energy: -161.997 flat angles C4'-P-C4' energy: -158.718 flat angles P-C4'-P energy: -101.992 tors. eta vs tors. theta energy: -163.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2034.294891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.294891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.294891 (E_RNA) where: Base-Base interactions energy: -1363.802 where: short stacking energy: -629.542 Base-Backbone interact. energy: -1.176 local terms energy: -669.316934 where: bonds (distance) C4'-P energy: -137.925 bonds (distance) P-C4' energy: -155.427 flat angles C4'-P-C4' energy: -164.530 flat angles P-C4'-P energy: -73.579 tors. eta vs tors. theta energy: -137.856 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: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1983.740734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.740734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.740734 (E_RNA) where: Base-Base interactions energy: -1316.190 where: short stacking energy: -554.755 Base-Backbone interact. energy: -2.031 local terms energy: -665.519255 where: bonds (distance) C4'-P energy: -131.218 bonds (distance) P-C4' energy: -151.426 flat angles C4'-P-C4' energy: -167.511 flat angles P-C4'-P energy: -81.005 tors. eta vs tors. theta energy: -134.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1658.149031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.149031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.149031 (E_RNA) where: Base-Base interactions energy: -1086.399 where: short stacking energy: -472.153 Base-Backbone interact. energy: -2.371 local terms energy: -569.378692 where: bonds (distance) C4'-P energy: -130.790 bonds (distance) P-C4' energy: -137.345 flat angles C4'-P-C4' energy: -141.999 flat angles P-C4'-P energy: -72.983 tors. eta vs tors. theta energy: -86.262 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: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1227.236410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.236410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.236410 (E_RNA) where: Base-Base interactions energy: -718.264 where: short stacking energy: -362.282 Base-Backbone interact. energy: -0.496 local terms energy: -508.476110 where: bonds (distance) C4'-P energy: -137.960 bonds (distance) P-C4' energy: -156.102 flat angles C4'-P-C4' energy: -107.853 flat angles P-C4'-P energy: -72.850 tors. eta vs tors. theta energy: -33.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -993.439428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.439428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.439428 (E_RNA) where: Base-Base interactions energy: -555.550 where: short stacking energy: -302.713 Base-Backbone interact. energy: 3.591 local terms energy: -441.480675 where: bonds (distance) C4'-P energy: -128.720 bonds (distance) P-C4' energy: -119.538 flat angles C4'-P-C4' energy: -121.731 flat angles P-C4'-P energy: -67.125 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2900.387317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.387317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.387317 (E_RNA) where: Base-Base interactions energy: -2001.401 where: short stacking energy: -857.007 Base-Backbone interact. energy: -3.567 local terms energy: -895.419068 where: bonds (distance) C4'-P energy: -146.304 bonds (distance) P-C4' energy: -178.569 flat angles C4'-P-C4' energy: -197.257 flat angles P-C4'-P energy: -135.518 tors. eta vs tors. theta energy: -237.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2702.640759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.640759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.640759 (E_RNA) where: Base-Base interactions energy: -1875.084 where: short stacking energy: -832.807 Base-Backbone interact. energy: -4.434 local terms energy: -823.123189 where: bonds (distance) C4'-P energy: -155.043 bonds (distance) P-C4' energy: -160.213 flat angles C4'-P-C4' energy: -184.939 flat angles P-C4'-P energy: -111.431 tors. eta vs tors. theta energy: -211.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2512.483525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.483525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.483525 (E_RNA) where: Base-Base interactions energy: -1723.122 where: short stacking energy: -761.486 Base-Backbone interact. energy: -3.255 local terms energy: -786.107040 where: bonds (distance) C4'-P energy: -155.998 bonds (distance) P-C4' energy: -138.411 flat angles C4'-P-C4' energy: -179.890 flat angles P-C4'-P energy: -110.271 tors. eta vs tors. theta energy: -201.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2471.730325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.730325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.730325 (E_RNA) where: Base-Base interactions energy: -1692.365 where: short stacking energy: -743.358 Base-Backbone interact. energy: -4.462 local terms energy: -774.903987 where: bonds (distance) C4'-P energy: -157.547 bonds (distance) P-C4' energy: -162.438 flat angles C4'-P-C4' energy: -170.901 flat angles P-C4'-P energy: -94.449 tors. eta vs tors. theta energy: -189.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2297.600028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.600028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.600028 (E_RNA) where: Base-Base interactions energy: -1552.512 where: short stacking energy: -682.024 Base-Backbone interact. energy: -3.962 local terms energy: -741.125553 where: bonds (distance) C4'-P energy: -137.564 bonds (distance) P-C4' energy: -150.351 flat angles C4'-P-C4' energy: -183.189 flat angles P-C4'-P energy: -97.263 tors. eta vs tors. theta energy: -172.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2059.502593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.502593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.502593 (E_RNA) where: Base-Base interactions energy: -1371.707 where: short stacking energy: -645.077 Base-Backbone interact. energy: 1.730 local terms energy: -689.526424 where: bonds (distance) C4'-P energy: -133.236 bonds (distance) P-C4' energy: -143.530 flat angles C4'-P-C4' energy: -155.892 flat angles P-C4'-P energy: -90.582 tors. eta vs tors. theta energy: -166.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1966.517548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.517548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.517548 (E_RNA) where: Base-Base interactions energy: -1277.440 where: short stacking energy: -570.809 Base-Backbone interact. energy: -3.219 local terms energy: -685.859151 where: bonds (distance) C4'-P energy: -156.903 bonds (distance) P-C4' energy: -156.767 flat angles C4'-P-C4' energy: -138.938 flat angles P-C4'-P energy: -99.703 tors. eta vs tors. theta energy: -133.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1793.059865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.059865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.059865 (E_RNA) where: Base-Base interactions energy: -1189.021 where: short stacking energy: -517.161 Base-Backbone interact. energy: -1.463 local terms energy: -602.575809 where: bonds (distance) C4'-P energy: -128.873 bonds (distance) P-C4' energy: -129.196 flat angles C4'-P-C4' energy: -136.148 flat angles P-C4'-P energy: -96.297 tors. eta vs tors. theta energy: -112.062 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: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1242.573168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.573168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.573168 (E_RNA) where: Base-Base interactions energy: -736.497 where: short stacking energy: -394.975 Base-Backbone interact. energy: -1.008 local terms energy: -505.068262 where: bonds (distance) C4'-P energy: -126.928 bonds (distance) P-C4' energy: -140.087 flat angles C4'-P-C4' energy: -117.715 flat angles P-C4'-P energy: -63.980 tors. eta vs tors. theta energy: -56.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -978.164941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.164941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.164941 (E_RNA) where: Base-Base interactions energy: -521.815 where: short stacking energy: -275.525 Base-Backbone interact. energy: 6.733 local terms energy: -463.082918 where: bonds (distance) C4'-P energy: -138.413 bonds (distance) P-C4' energy: -140.663 flat angles C4'-P-C4' energy: -117.747 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2890.947899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.947899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.947899 (E_RNA) where: Base-Base interactions energy: -1995.773 where: short stacking energy: -871.665 Base-Backbone interact. energy: -4.191 local terms energy: -890.984237 where: bonds (distance) C4'-P energy: -152.196 bonds (distance) P-C4' energy: -164.118 flat angles C4'-P-C4' energy: -197.831 flat angles P-C4'-P energy: -121.007 tors. eta vs tors. theta energy: -255.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2709.511787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.511787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.511787 (E_RNA) where: Base-Base interactions energy: -1880.158 where: short stacking energy: -838.231 Base-Backbone interact. energy: -2.171 local terms energy: -827.182340 where: bonds (distance) C4'-P energy: -156.855 bonds (distance) P-C4' energy: -168.278 flat angles C4'-P-C4' energy: -174.832 flat angles P-C4'-P energy: -116.572 tors. eta vs tors. theta energy: -210.645 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: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2490.788934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.788934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.788934 (E_RNA) where: Base-Base interactions energy: -1666.119 where: short stacking energy: -725.879 Base-Backbone interact. energy: -0.899 local terms energy: -823.770986 where: bonds (distance) C4'-P energy: -178.004 bonds (distance) P-C4' energy: -157.637 flat angles C4'-P-C4' energy: -182.037 flat angles P-C4'-P energy: -117.065 tors. eta vs tors. theta energy: -189.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2444.643219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.643219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.643219 (E_RNA) where: Base-Base interactions energy: -1663.508 where: short stacking energy: -717.406 Base-Backbone interact. energy: -1.532 local terms energy: -779.603673 where: bonds (distance) C4'-P energy: -150.394 bonds (distance) P-C4' energy: -156.850 flat angles C4'-P-C4' energy: -175.019 flat angles P-C4'-P energy: -118.413 tors. eta vs tors. theta energy: -178.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2303.679528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.679528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.679528 (E_RNA) where: Base-Base interactions energy: -1540.358 where: short stacking energy: -683.869 Base-Backbone interact. energy: -2.264 local terms energy: -761.057728 where: bonds (distance) C4'-P energy: -146.158 bonds (distance) P-C4' energy: -158.716 flat angles C4'-P-C4' energy: -170.888 flat angles P-C4'-P energy: -113.706 tors. eta vs tors. theta energy: -171.590 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: 110 Temperature: 1.150000 Total energy: -2072.836504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.836504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.836504 (E_RNA) where: Base-Base interactions energy: -1359.361 where: short stacking energy: -643.936 Base-Backbone interact. energy: -2.084 local terms energy: -711.391241 where: bonds (distance) C4'-P energy: -143.999 bonds (distance) P-C4' energy: -148.799 flat angles C4'-P-C4' energy: -168.101 flat angles P-C4'-P energy: -96.751 tors. eta vs tors. theta energy: -153.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1919.615434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.615434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.615434 (E_RNA) where: Base-Base interactions energy: -1291.251 where: short stacking energy: -581.852 Base-Backbone interact. energy: -1.309 local terms energy: -627.055266 where: bonds (distance) C4'-P energy: -111.807 bonds (distance) P-C4' energy: -134.245 flat angles C4'-P-C4' energy: -156.794 flat angles P-C4'-P energy: -79.890 tors. eta vs tors. theta energy: -144.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1795.108366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.108366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.108366 (E_RNA) where: Base-Base interactions energy: -1184.771 where: short stacking energy: -521.361 Base-Backbone interact. energy: 3.628 local terms energy: -613.965599 where: bonds (distance) C4'-P energy: -114.634 bonds (distance) P-C4' energy: -138.232 flat angles C4'-P-C4' energy: -147.989 flat angles P-C4'-P energy: -101.071 tors. eta vs tors. theta energy: -112.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1168.070820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.070820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.070820 (E_RNA) where: Base-Base interactions energy: -672.710 where: short stacking energy: -357.783 Base-Backbone interact. energy: 6.840 local terms energy: -502.201110 where: bonds (distance) C4'-P energy: -144.178 bonds (distance) P-C4' energy: -156.226 flat angles C4'-P-C4' energy: -119.292 flat angles P-C4'-P energy: -44.614 tors. eta vs tors. theta energy: -37.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -974.195259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.195259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.195259 (E_RNA) where: Base-Base interactions energy: -497.755 where: short stacking energy: -276.649 Base-Backbone interact. energy: -3.386 local terms energy: -473.054619 where: bonds (distance) C4'-P energy: -143.052 bonds (distance) P-C4' energy: -119.432 flat angles C4'-P-C4' energy: -125.981 flat angles P-C4'-P energy: -71.617 tors. eta vs tors. theta energy: -12.972 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: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2899.371114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.371114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.371114 (E_RNA) where: Base-Base interactions energy: -1970.158 where: short stacking energy: -867.362 Base-Backbone interact. energy: -4.527 local terms energy: -924.686201 where: bonds (distance) C4'-P energy: -154.351 bonds (distance) P-C4' energy: -180.449 flat angles C4'-P-C4' energy: -204.590 flat angles P-C4'-P energy: -131.986 tors. eta vs tors. theta energy: -253.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2725.216116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.216116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.216116 (E_RNA) where: Base-Base interactions energy: -1880.124 where: short stacking energy: -812.046 Base-Backbone interact. energy: -2.525 local terms energy: -842.566781 where: bonds (distance) C4'-P energy: -158.947 bonds (distance) P-C4' energy: -161.321 flat angles C4'-P-C4' energy: -183.271 flat angles P-C4'-P energy: -114.690 tors. eta vs tors. theta energy: -224.337 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: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2553.924006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.924006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.924006 (E_RNA) where: Base-Base interactions energy: -1748.854 where: short stacking energy: -757.421 Base-Backbone interact. energy: 2.448 local terms energy: -807.517657 where: bonds (distance) C4'-P energy: -138.604 bonds (distance) P-C4' energy: -154.757 flat angles C4'-P-C4' energy: -185.100 flat angles P-C4'-P energy: -118.224 tors. eta vs tors. theta energy: -210.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2474.500275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.500275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.500275 (E_RNA) where: Base-Base interactions energy: -1702.825 where: short stacking energy: -714.258 Base-Backbone interact. energy: -2.207 local terms energy: -769.467857 where: bonds (distance) C4'-P energy: -137.443 bonds (distance) P-C4' energy: -170.500 flat angles C4'-P-C4' energy: -167.825 flat angles P-C4'-P energy: -107.658 tors. eta vs tors. theta energy: -186.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2297.243486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.243486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.243486 (E_RNA) where: Base-Base interactions energy: -1538.396 where: short stacking energy: -678.317 Base-Backbone interact. energy: 1.074 local terms energy: -759.921858 where: bonds (distance) C4'-P energy: -147.652 bonds (distance) P-C4' energy: -150.324 flat angles C4'-P-C4' energy: -164.883 flat angles P-C4'-P energy: -119.700 tors. eta vs tors. theta energy: -177.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2087.850835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.850835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.850835 (E_RNA) where: Base-Base interactions energy: -1380.727 where: short stacking energy: -574.624 Base-Backbone interact. energy: -1.423 local terms energy: -705.700224 where: bonds (distance) C4'-P energy: -135.556 bonds (distance) P-C4' energy: -157.407 flat angles C4'-P-C4' energy: -164.344 flat angles P-C4'-P energy: -109.774 tors. eta vs tors. theta energy: -138.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1991.854030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.854030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.854030 (E_RNA) where: Base-Base interactions energy: -1335.004 where: short stacking energy: -627.921 Base-Backbone interact. energy: 1.544 local terms energy: -658.393947 where: bonds (distance) C4'-P energy: -128.365 bonds (distance) P-C4' energy: -128.039 flat angles C4'-P-C4' energy: -159.174 flat angles P-C4'-P energy: -84.111 tors. eta vs tors. theta energy: -158.705 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: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1787.647820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.647820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.647820 (E_RNA) where: Base-Base interactions energy: -1191.028 where: short stacking energy: -531.219 Base-Backbone interact. energy: -2.637 local terms energy: -593.982484 where: bonds (distance) C4'-P energy: -119.580 bonds (distance) P-C4' energy: -149.980 flat angles C4'-P-C4' energy: -143.706 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: -111.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1305.692720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.692720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.692720 (E_RNA) where: Base-Base interactions energy: -764.085 where: short stacking energy: -384.243 Base-Backbone interact. energy: -2.895 local terms energy: -538.712674 where: bonds (distance) C4'-P energy: -110.935 bonds (distance) P-C4' energy: -147.517 flat angles C4'-P-C4' energy: -143.488 flat angles P-C4'-P energy: -91.234 tors. eta vs tors. theta energy: -45.538 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: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1036.715382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.715382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.715382 (E_RNA) where: Base-Base interactions energy: -561.286 where: short stacking energy: -308.906 Base-Backbone interact. energy: -1.881 local terms energy: -473.548529 where: bonds (distance) C4'-P energy: -114.990 bonds (distance) P-C4' energy: -144.623 flat angles C4'-P-C4' energy: -111.371 flat angles P-C4'-P energy: -72.214 tors. eta vs tors. theta energy: -30.352 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: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2930.004945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.004945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.004945 (E_RNA) where: Base-Base interactions energy: -2008.254 where: short stacking energy: -894.091 Base-Backbone interact. energy: 0.500 local terms energy: -922.251590 where: bonds (distance) C4'-P energy: -162.071 bonds (distance) P-C4' energy: -188.451 flat angles C4'-P-C4' energy: -186.914 flat angles P-C4'-P energy: -132.669 tors. eta vs tors. theta energy: -252.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2761.833585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.833585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.833585 (E_RNA) where: Base-Base interactions energy: -1908.405 where: short stacking energy: -803.174 Base-Backbone interact. energy: -2.857 local terms energy: -850.570963 where: bonds (distance) C4'-P energy: -152.988 bonds (distance) P-C4' energy: -180.550 flat angles C4'-P-C4' energy: -181.486 flat angles P-C4'-P energy: -123.551 tors. eta vs tors. theta energy: -211.997 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: 3, replica: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2541.038706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.038706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.038706 (E_RNA) where: Base-Base interactions energy: -1712.924 where: short stacking energy: -754.184 Base-Backbone interact. energy: 3.559 local terms energy: -831.674589 where: bonds (distance) C4'-P energy: -155.604 bonds (distance) P-C4' energy: -161.075 flat angles C4'-P-C4' energy: -183.221 flat angles P-C4'-P energy: -112.602 tors. eta vs tors. theta energy: -219.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2435.560453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.560453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.560453 (E_RNA) where: Base-Base interactions energy: -1653.668 where: short stacking energy: -692.411 Base-Backbone interact. energy: -0.889 local terms energy: -781.003492 where: bonds (distance) C4'-P energy: -154.435 bonds (distance) P-C4' energy: -167.884 flat angles C4'-P-C4' energy: -181.841 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -174.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2322.357926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.357926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.357926 (E_RNA) where: Base-Base interactions energy: -1573.810 where: short stacking energy: -708.217 Base-Backbone interact. energy: -2.646 local terms energy: -745.901647 where: bonds (distance) C4'-P energy: -139.673 bonds (distance) P-C4' energy: -151.703 flat angles C4'-P-C4' energy: -165.718 flat angles P-C4'-P energy: -109.691 tors. eta vs tors. theta energy: -179.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2094.996910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.996910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.996910 (E_RNA) where: Base-Base interactions energy: -1399.926 where: short stacking energy: -634.198 Base-Backbone interact. energy: 1.738 local terms energy: -696.808634 where: bonds (distance) C4'-P energy: -143.808 bonds (distance) P-C4' energy: -149.138 flat angles C4'-P-C4' energy: -151.095 flat angles P-C4'-P energy: -117.579 tors. eta vs tors. theta energy: -135.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1895.652012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.652012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.652012 (E_RNA) where: Base-Base interactions energy: -1259.488 where: short stacking energy: -577.290 Base-Backbone interact. energy: 4.724 local terms energy: -640.888074 where: bonds (distance) C4'-P energy: -132.314 bonds (distance) P-C4' energy: -134.745 flat angles C4'-P-C4' energy: -153.250 flat angles P-C4'-P energy: -90.528 tors. eta vs tors. theta energy: -130.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1740.766021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.766021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.766021 (E_RNA) where: Base-Base interactions energy: -1148.611 where: short stacking energy: -493.718 Base-Backbone interact. energy: 2.567 local terms energy: -594.721672 where: bonds (distance) C4'-P energy: -134.189 bonds (distance) P-C4' energy: -137.042 flat angles C4'-P-C4' energy: -136.963 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -83.385 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: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1256.006261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.006261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.006261 (E_RNA) where: Base-Base interactions energy: -750.712 where: short stacking energy: -353.068 Base-Backbone interact. energy: -3.465 local terms energy: -501.829584 where: bonds (distance) C4'-P energy: -125.161 bonds (distance) P-C4' energy: -138.129 flat angles C4'-P-C4' energy: -116.538 flat angles P-C4'-P energy: -81.816 tors. eta vs tors. theta energy: -40.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1075.912614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.912614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.912614 (E_RNA) where: Base-Base interactions energy: -566.791 where: short stacking energy: -295.609 Base-Backbone interact. energy: 0.856 local terms energy: -509.976969 where: bonds (distance) C4'-P energy: -135.850 bonds (distance) P-C4' energy: -130.771 flat angles C4'-P-C4' energy: -122.698 flat angles P-C4'-P energy: -85.024 tors. eta vs tors. theta energy: -35.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2901.253229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.253229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.253229 (E_RNA) where: Base-Base interactions energy: -1975.072 where: short stacking energy: -882.827 Base-Backbone interact. energy: 3.111 local terms energy: -929.291497 where: bonds (distance) C4'-P energy: -180.352 bonds (distance) P-C4' energy: -169.398 flat angles C4'-P-C4' energy: -198.873 flat angles P-C4'-P energy: -119.098 tors. eta vs tors. theta energy: -261.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2747.324876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.324876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.324876 (E_RNA) where: Base-Base interactions energy: -1902.591 where: short stacking energy: -826.735 Base-Backbone interact. energy: -2.899 local terms energy: -841.835001 where: bonds (distance) C4'-P energy: -167.090 bonds (distance) P-C4' energy: -154.798 flat angles C4'-P-C4' energy: -181.701 flat angles P-C4'-P energy: -117.829 tors. eta vs tors. theta energy: -220.417 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: 7 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2564.791678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.791678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.791678 (E_RNA) where: Base-Base interactions energy: -1757.697 where: short stacking energy: -780.393 Base-Backbone interact. energy: -6.036 local terms energy: -801.059022 where: bonds (distance) C4'-P energy: -165.617 bonds (distance) P-C4' energy: -165.615 flat angles C4'-P-C4' energy: -169.979 flat angles P-C4'-P energy: -100.378 tors. eta vs tors. theta energy: -199.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2427.564010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.564010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.564010 (E_RNA) where: Base-Base interactions energy: -1650.640 where: short stacking energy: -698.933 Base-Backbone interact. energy: -2.640 local terms energy: -774.284390 where: bonds (distance) C4'-P energy: -157.846 bonds (distance) P-C4' energy: -171.924 flat angles C4'-P-C4' energy: -164.270 flat angles P-C4'-P energy: -103.264 tors. eta vs tors. theta energy: -176.979 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: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2358.645944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.645944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.645944 (E_RNA) where: Base-Base interactions energy: -1573.273 where: short stacking energy: -721.009 Base-Backbone interact. energy: -0.789 local terms energy: -784.583923 where: bonds (distance) C4'-P energy: -147.770 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -183.248 flat angles P-C4'-P energy: -115.948 tors. eta vs tors. theta energy: -188.561 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: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2104.246597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.246597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.246597 (E_RNA) where: Base-Base interactions energy: -1398.360 where: short stacking energy: -648.951 Base-Backbone interact. energy: 0.199 local terms energy: -706.085280 where: bonds (distance) C4'-P energy: -145.414 bonds (distance) P-C4' energy: -152.723 flat angles C4'-P-C4' energy: -160.333 flat angles P-C4'-P energy: -100.663 tors. eta vs tors. theta energy: -146.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1951.047034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.047034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.047034 (E_RNA) where: Base-Base interactions energy: -1310.028 where: short stacking energy: -557.967 Base-Backbone interact. energy: -1.755 local terms energy: -639.264341 where: bonds (distance) C4'-P energy: -139.834 bonds (distance) P-C4' energy: -149.970 flat angles C4'-P-C4' energy: -149.458 flat angles P-C4'-P energy: -74.003 tors. eta vs tors. theta energy: -126.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1729.553519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.553519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.553519 (E_RNA) where: Base-Base interactions energy: -1111.065 where: short stacking energy: -474.907 Base-Backbone interact. energy: -3.693 local terms energy: -614.795348 where: bonds (distance) C4'-P energy: -142.931 bonds (distance) P-C4' energy: -124.635 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -88.620 tors. eta vs tors. theta energy: -102.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1228.151342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.151342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.151342 (E_RNA) where: Base-Base interactions energy: -714.482 where: short stacking energy: -353.538 Base-Backbone interact. energy: 2.049 local terms energy: -515.718431 where: bonds (distance) C4'-P energy: -106.502 bonds (distance) P-C4' energy: -139.585 flat angles C4'-P-C4' energy: -145.072 flat angles P-C4'-P energy: -81.543 tors. eta vs tors. theta energy: -43.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1019.052821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.052821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.052821 (E_RNA) where: Base-Base interactions energy: -537.036 where: short stacking energy: -275.442 Base-Backbone interact. energy: -4.422 local terms energy: -477.594518 where: bonds (distance) C4'-P energy: -134.215 bonds (distance) P-C4' energy: -136.354 flat angles C4'-P-C4' energy: -133.769 flat angles P-C4'-P energy: -64.950 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2881.773883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.773883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.773883 (E_RNA) where: Base-Base interactions energy: -1951.430 where: short stacking energy: -885.194 Base-Backbone interact. energy: -1.137 local terms energy: -929.207571 where: bonds (distance) C4'-P energy: -173.740 bonds (distance) P-C4' energy: -176.197 flat angles C4'-P-C4' energy: -201.531 flat angles P-C4'-P energy: -127.836 tors. eta vs tors. theta energy: -249.903 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: 114 Temperature: 0.950000 Total energy: -2756.728870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.728870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.728870 (E_RNA) where: Base-Base interactions energy: -1937.742 where: short stacking energy: -794.037 Base-Backbone interact. energy: 1.643 local terms energy: -820.630382 where: bonds (distance) C4'-P energy: -159.486 bonds (distance) P-C4' energy: -161.834 flat angles C4'-P-C4' energy: -169.536 flat angles P-C4'-P energy: -121.711 tors. eta vs tors. theta energy: -208.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2518.926589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.926589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.926589 (E_RNA) where: Base-Base interactions energy: -1704.848 where: short stacking energy: -775.541 Base-Backbone interact. energy: -0.711 local terms energy: -813.368429 where: bonds (distance) C4'-P energy: -170.890 bonds (distance) P-C4' energy: -147.757 flat angles C4'-P-C4' energy: -181.479 flat angles P-C4'-P energy: -117.153 tors. eta vs tors. theta energy: -196.089 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: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2385.702513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.702513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.702513 (E_RNA) where: Base-Base interactions energy: -1636.077 where: short stacking energy: -677.006 Base-Backbone interact. energy: -2.297 local terms energy: -747.328786 where: bonds (distance) C4'-P energy: -150.590 bonds (distance) P-C4' energy: -156.171 flat angles C4'-P-C4' energy: -176.474 flat angles P-C4'-P energy: -111.501 tors. eta vs tors. theta energy: -152.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2305.013748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.013748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.013748 (E_RNA) where: Base-Base interactions energy: -1560.706 where: short stacking energy: -706.330 Base-Backbone interact. energy: -1.201 local terms energy: -743.106881 where: bonds (distance) C4'-P energy: -145.118 bonds (distance) P-C4' energy: -149.676 flat angles C4'-P-C4' energy: -173.508 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -162.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2051.358253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.358253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.358253 (E_RNA) where: Base-Base interactions energy: -1379.667 where: short stacking energy: -623.703 Base-Backbone interact. energy: 0.908 local terms energy: -672.599967 where: bonds (distance) C4'-P energy: -148.766 bonds (distance) P-C4' energy: -141.808 flat angles C4'-P-C4' energy: -156.003 flat angles P-C4'-P energy: -83.471 tors. eta vs tors. theta energy: -142.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1960.279921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.279921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.279921 (E_RNA) where: Base-Base interactions energy: -1290.758 where: short stacking energy: -549.956 Base-Backbone interact. energy: -2.038 local terms energy: -667.483255 where: bonds (distance) C4'-P energy: -126.188 bonds (distance) P-C4' energy: -156.752 flat angles C4'-P-C4' energy: -173.751 flat angles P-C4'-P energy: -86.864 tors. eta vs tors. theta energy: -123.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1720.861215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.861215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.861215 (E_RNA) where: Base-Base interactions energy: -1126.961 where: short stacking energy: -525.686 Base-Backbone interact. energy: 1.098 local terms energy: -594.997567 where: bonds (distance) C4'-P energy: -112.391 bonds (distance) P-C4' energy: -142.381 flat angles C4'-P-C4' energy: -142.975 flat angles P-C4'-P energy: -85.538 tors. eta vs tors. theta energy: -111.712 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: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1137.407592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.407592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.407592 (E_RNA) where: Base-Base interactions energy: -613.330 where: short stacking energy: -337.184 Base-Backbone interact. energy: -1.437 local terms energy: -522.640609 where: bonds (distance) C4'-P energy: -129.146 bonds (distance) P-C4' energy: -146.268 flat angles C4'-P-C4' energy: -135.294 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -37.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1022.720255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.720255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.720255 (E_RNA) where: Base-Base interactions energy: -578.691 where: short stacking energy: -313.726 Base-Backbone interact. energy: 3.704 local terms energy: -447.732862 where: bonds (distance) C4'-P energy: -134.961 bonds (distance) P-C4' energy: -130.385 flat angles C4'-P-C4' energy: -98.004 flat angles P-C4'-P energy: -63.538 tors. eta vs tors. theta energy: -20.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2936.235425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.235425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.235425 (E_RNA) where: Base-Base interactions energy: -2021.964 where: short stacking energy: -877.409 Base-Backbone interact. energy: -0.928 local terms energy: -913.343019 where: bonds (distance) C4'-P energy: -180.564 bonds (distance) P-C4' energy: -165.328 flat angles C4'-P-C4' energy: -188.211 flat angles P-C4'-P energy: -141.904 tors. eta vs tors. theta energy: -237.336 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: 115 Temperature: 0.950000 Total energy: -2751.326654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.326654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.326654 (E_RNA) where: Base-Base interactions energy: -1912.804 where: short stacking energy: -809.193 Base-Backbone interact. energy: -0.610 local terms energy: -837.912041 where: bonds (distance) C4'-P energy: -169.042 bonds (distance) P-C4' energy: -168.786 flat angles C4'-P-C4' energy: -167.784 flat angles P-C4'-P energy: -120.666 tors. eta vs tors. theta energy: -211.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2541.852258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.852258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.852258 (E_RNA) where: Base-Base interactions energy: -1706.683 where: short stacking energy: -761.897 Base-Backbone interact. energy: -5.073 local terms energy: -830.096149 where: bonds (distance) C4'-P energy: -162.680 bonds (distance) P-C4' energy: -179.448 flat angles C4'-P-C4' energy: -166.801 flat angles P-C4'-P energy: -113.415 tors. eta vs tors. theta energy: -207.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2410.089934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.089934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.089934 (E_RNA) where: Base-Base interactions energy: -1661.540 where: short stacking energy: -711.492 Base-Backbone interact. energy: -4.071 local terms energy: -744.479113 where: bonds (distance) C4'-P energy: -147.804 bonds (distance) P-C4' energy: -152.222 flat angles C4'-P-C4' energy: -173.746 flat angles P-C4'-P energy: -99.453 tors. eta vs tors. theta energy: -171.254 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: 115 Temperature: 1.100000 Total energy: -2309.750425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.750425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.750425 (E_RNA) where: Base-Base interactions energy: -1541.030 where: short stacking energy: -676.493 Base-Backbone interact. energy: 1.020 local terms energy: -769.740206 where: bonds (distance) C4'-P energy: -143.497 bonds (distance) P-C4' energy: -160.929 flat angles C4'-P-C4' energy: -171.595 flat angles P-C4'-P energy: -108.246 tors. eta vs tors. theta energy: -185.473 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: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2174.574151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.574151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.574151 (E_RNA) where: Base-Base interactions energy: -1483.018 where: short stacking energy: -658.319 Base-Backbone interact. energy: -2.333 local terms energy: -689.223169 where: bonds (distance) C4'-P energy: -123.942 bonds (distance) P-C4' energy: -142.225 flat angles C4'-P-C4' energy: -150.314 flat angles P-C4'-P energy: -105.413 tors. eta vs tors. theta energy: -167.328 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: 7, replica: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1949.751442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.751442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.751442 (E_RNA) where: Base-Base interactions energy: -1269.640 where: short stacking energy: -608.488 Base-Backbone interact. energy: 2.941 local terms energy: -683.052791 where: bonds (distance) C4'-P energy: -127.710 bonds (distance) P-C4' energy: -155.391 flat angles C4'-P-C4' energy: -180.456 flat angles P-C4'-P energy: -91.270 tors. eta vs tors. theta energy: -128.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1680.096696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.096696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.096696 (E_RNA) where: Base-Base interactions energy: -1082.851 where: short stacking energy: -488.063 Base-Backbone interact. energy: -1.154 local terms energy: -596.091641 where: bonds (distance) C4'-P energy: -140.869 bonds (distance) P-C4' energy: -129.402 flat angles C4'-P-C4' energy: -148.245 flat angles P-C4'-P energy: -86.500 tors. eta vs tors. theta energy: -91.076 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: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1147.747139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.747139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.747139 (E_RNA) where: Base-Base interactions energy: -642.697 where: short stacking energy: -351.445 Base-Backbone interact. energy: 1.522 local terms energy: -506.572572 where: bonds (distance) C4'-P energy: -112.018 bonds (distance) P-C4' energy: -136.081 flat angles C4'-P-C4' energy: -141.784 flat angles P-C4'-P energy: -78.750 tors. eta vs tors. theta energy: -37.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -997.493742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.493742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.493742 (E_RNA) where: Base-Base interactions energy: -536.128 where: short stacking energy: -270.632 Base-Backbone interact. energy: 1.976 local terms energy: -463.341475 where: bonds (distance) C4'-P energy: -122.573 bonds (distance) P-C4' energy: -143.968 flat angles C4'-P-C4' energy: -106.050 flat angles P-C4'-P energy: -89.270 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2944.194984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.194984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.194984 (E_RNA) where: Base-Base interactions energy: -2063.335 where: short stacking energy: -865.242 Base-Backbone interact. energy: -0.988 local terms energy: -879.871633 where: bonds (distance) C4'-P energy: -163.294 bonds (distance) P-C4' energy: -160.934 flat angles C4'-P-C4' energy: -174.951 flat angles P-C4'-P energy: -134.113 tors. eta vs tors. theta energy: -246.579 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: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2797.941466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.941466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.941466 (E_RNA) where: Base-Base interactions energy: -1933.292 where: short stacking energy: -836.385 Base-Backbone interact. energy: -2.491 local terms energy: -862.158109 where: bonds (distance) C4'-P energy: -156.197 bonds (distance) P-C4' energy: -170.780 flat angles C4'-P-C4' energy: -189.935 flat angles P-C4'-P energy: -117.966 tors. eta vs tors. theta energy: -227.280 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: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2520.204599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.204599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.204599 (E_RNA) where: Base-Base interactions energy: -1677.276 where: short stacking energy: -753.641 Base-Backbone interact. energy: -6.278 local terms energy: -836.650456 where: bonds (distance) C4'-P energy: -152.945 bonds (distance) P-C4' energy: -168.717 flat angles C4'-P-C4' energy: -187.413 flat angles P-C4'-P energy: -122.670 tors. eta vs tors. theta energy: -204.906 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: 4, replica: 9 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2397.981983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.981983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.981983 (E_RNA) where: Base-Base interactions energy: -1660.301 where: short stacking energy: -683.274 Base-Backbone interact. energy: -0.944 local terms energy: -736.736843 where: bonds (distance) C4'-P energy: -141.273 bonds (distance) P-C4' energy: -146.650 flat angles C4'-P-C4' energy: -166.530 flat angles P-C4'-P energy: -114.213 tors. eta vs tors. theta energy: -168.071 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: 116 Temperature: 1.100000 Total energy: -2331.651889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.651889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.651889 (E_RNA) where: Base-Base interactions energy: -1592.473 where: short stacking energy: -713.620 Base-Backbone interact. energy: 5.818 local terms energy: -744.996942 where: bonds (distance) C4'-P energy: -134.556 bonds (distance) P-C4' energy: -152.506 flat angles C4'-P-C4' energy: -161.136 flat angles P-C4'-P energy: -112.737 tors. eta vs tors. theta energy: -184.063 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: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2300.977692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.977692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.977692 (E_RNA) where: Base-Base interactions energy: -1534.009 where: short stacking energy: -692.326 Base-Backbone interact. energy: -0.171 local terms energy: -766.797101 where: bonds (distance) C4'-P energy: -136.414 bonds (distance) P-C4' energy: -146.896 flat angles C4'-P-C4' energy: -175.420 flat angles P-C4'-P energy: -122.546 tors. eta vs tors. theta energy: -185.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1972.775811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.775811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.775811 (E_RNA) where: Base-Base interactions energy: -1275.443 where: short stacking energy: -600.630 Base-Backbone interact. energy: 2.275 local terms energy: -699.607338 where: bonds (distance) C4'-P energy: -150.385 bonds (distance) P-C4' energy: -163.933 flat angles C4'-P-C4' energy: -151.165 flat angles P-C4'-P energy: -94.432 tors. eta vs tors. theta energy: -139.692 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: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1804.414305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.414305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.414305 (E_RNA) where: Base-Base interactions energy: -1177.300 where: short stacking energy: -544.059 Base-Backbone interact. energy: -2.584 local terms energy: -624.530112 where: bonds (distance) C4'-P energy: -134.300 bonds (distance) P-C4' energy: -158.371 flat angles C4'-P-C4' energy: -143.409 flat angles P-C4'-P energy: -85.778 tors. eta vs tors. theta energy: -102.672 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: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1086.631282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.631282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.631282 (E_RNA) where: Base-Base interactions energy: -600.242 where: short stacking energy: -277.303 Base-Backbone interact. energy: -2.576 local terms energy: -483.812979 where: bonds (distance) C4'-P energy: -140.051 bonds (distance) P-C4' energy: -143.307 flat angles C4'-P-C4' energy: -126.990 flat angles P-C4'-P energy: -83.133 tors. eta vs tors. theta energy: 9.668 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: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1041.942195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.942195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.942195 (E_RNA) where: Base-Base interactions energy: -564.294 where: short stacking energy: -287.349 Base-Backbone interact. energy: -1.049 local terms energy: -476.599430 where: bonds (distance) C4'-P energy: -122.739 bonds (distance) P-C4' energy: -129.428 flat angles C4'-P-C4' energy: -146.486 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: -20.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2926.817649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.817649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.817649 (E_RNA) where: Base-Base interactions energy: -2044.122 where: short stacking energy: -889.172 Base-Backbone interact. energy: -0.121 local terms energy: -882.574848 where: bonds (distance) C4'-P energy: -162.907 bonds (distance) P-C4' energy: -165.592 flat angles C4'-P-C4' energy: -186.166 flat angles P-C4'-P energy: -123.631 tors. eta vs tors. theta energy: -244.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2792.982679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.982679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.982679 (E_RNA) where: Base-Base interactions energy: -1916.439 where: short stacking energy: -823.002 Base-Backbone interact. energy: 3.677 local terms energy: -880.220959 where: bonds (distance) C4'-P energy: -160.327 bonds (distance) P-C4' energy: -166.236 flat angles C4'-P-C4' energy: -193.924 flat angles P-C4'-P energy: -127.742 tors. eta vs tors. theta energy: -231.992 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: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2484.901446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.901446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.901446 (E_RNA) where: Base-Base interactions energy: -1700.730 where: short stacking energy: -722.724 Base-Backbone interact. energy: -4.505 local terms energy: -779.667426 where: bonds (distance) C4'-P energy: -135.729 bonds (distance) P-C4' energy: -171.270 flat angles C4'-P-C4' energy: -164.341 flat angles P-C4'-P energy: -113.917 tors. eta vs tors. theta energy: -194.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2369.304141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.304141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.304141 (E_RNA) where: Base-Base interactions energy: -1615.930 where: short stacking energy: -735.652 Base-Backbone interact. energy: -2.405 local terms energy: -750.969113 where: bonds (distance) C4'-P energy: -136.218 bonds (distance) P-C4' energy: -137.896 flat angles C4'-P-C4' energy: -166.536 flat angles P-C4'-P energy: -119.535 tors. eta vs tors. theta energy: -190.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2217.400301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.400301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.400301 (E_RNA) where: Base-Base interactions energy: -1516.915 where: short stacking energy: -627.717 Base-Backbone interact. energy: -4.462 local terms energy: -696.023102 where: bonds (distance) C4'-P energy: -150.375 bonds (distance) P-C4' energy: -167.405 flat angles C4'-P-C4' energy: -156.615 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: -131.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2286.389552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.389552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.389552 (E_RNA) where: Base-Base interactions energy: -1561.727 where: short stacking energy: -694.844 Base-Backbone interact. energy: -2.189 local terms energy: -722.473399 where: bonds (distance) C4'-P energy: -151.158 bonds (distance) P-C4' energy: -129.479 flat angles C4'-P-C4' energy: -148.022 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -193.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1995.492146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.492146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.492146 (E_RNA) where: Base-Base interactions energy: -1319.087 where: short stacking energy: -612.181 Base-Backbone interact. energy: 2.378 local terms energy: -678.783365 where: bonds (distance) C4'-P energy: -158.832 bonds (distance) P-C4' energy: -152.969 flat angles C4'-P-C4' energy: -129.303 flat angles P-C4'-P energy: -97.608 tors. eta vs tors. theta energy: -140.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1830.264177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.264177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.264177 (E_RNA) where: Base-Base interactions energy: -1226.411 where: short stacking energy: -557.707 Base-Backbone interact. energy: -1.409 local terms energy: -602.443966 where: bonds (distance) C4'-P energy: -108.817 bonds (distance) P-C4' energy: -133.503 flat angles C4'-P-C4' energy: -145.658 flat angles P-C4'-P energy: -95.943 tors. eta vs tors. theta energy: -118.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1017.772112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.772112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.772112 (E_RNA) where: Base-Base interactions energy: -545.098 where: short stacking energy: -276.292 Base-Backbone interact. energy: -2.468 local terms energy: -470.205990 where: bonds (distance) C4'-P energy: -122.307 bonds (distance) P-C4' energy: -142.277 flat angles C4'-P-C4' energy: -139.030 flat angles P-C4'-P energy: -63.988 tors. eta vs tors. theta energy: -2.604 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: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1060.758187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.758187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.758187 (E_RNA) where: Base-Base interactions energy: -600.768 where: short stacking energy: -351.992 Base-Backbone interact. energy: -0.956 local terms energy: -459.033793 where: bonds (distance) C4'-P energy: -121.122 bonds (distance) P-C4' energy: -139.205 flat angles C4'-P-C4' energy: -121.978 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -29.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2942.978411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.978411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.978411 (E_RNA) where: Base-Base interactions energy: -2024.204 where: short stacking energy: -883.880 Base-Backbone interact. energy: -2.022 local terms energy: -916.752510 where: bonds (distance) C4'-P energy: -171.499 bonds (distance) P-C4' energy: -169.095 flat angles C4'-P-C4' energy: -195.028 flat angles P-C4'-P energy: -135.137 tors. eta vs tors. theta energy: -245.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2795.696609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.696609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.696609 (E_RNA) where: Base-Base interactions energy: -1968.737 where: short stacking energy: -840.095 Base-Backbone interact. energy: -1.657 local terms energy: -825.302144 where: bonds (distance) C4'-P energy: -150.727 bonds (distance) P-C4' energy: -170.015 flat angles C4'-P-C4' energy: -157.274 flat angles P-C4'-P energy: -114.146 tors. eta vs tors. theta energy: -233.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2512.221057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.221057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.221057 (E_RNA) where: Base-Base interactions energy: -1696.907 where: short stacking energy: -784.814 Base-Backbone interact. energy: -2.692 local terms energy: -812.622170 where: bonds (distance) C4'-P energy: -153.785 bonds (distance) P-C4' energy: -152.591 flat angles C4'-P-C4' energy: -169.452 flat angles P-C4'-P energy: -123.976 tors. eta vs tors. theta energy: -212.818 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: 118 Temperature: 1.050000 Total energy: -2422.408050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.408050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.408050 (E_RNA) where: Base-Base interactions energy: -1640.783 where: short stacking energy: -752.052 Base-Backbone interact. energy: -2.491 local terms energy: -779.134154 where: bonds (distance) C4'-P energy: -142.447 bonds (distance) P-C4' energy: -172.343 flat angles C4'-P-C4' energy: -173.107 flat angles P-C4'-P energy: -102.140 tors. eta vs tors. theta energy: -189.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2336.751758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.751758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.751758 (E_RNA) where: Base-Base interactions energy: -1618.046 where: short stacking energy: -710.444 Base-Backbone interact. energy: -2.496 local terms energy: -716.209948 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -153.562 flat angles C4'-P-C4' energy: -172.472 flat angles P-C4'-P energy: -98.592 tors. eta vs tors. theta energy: -159.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2200.745398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.745398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.745398 (E_RNA) where: Base-Base interactions energy: -1486.264 where: short stacking energy: -646.981 Base-Backbone interact. energy: -5.201 local terms energy: -709.280037 where: bonds (distance) C4'-P energy: -142.031 bonds (distance) P-C4' energy: -144.757 flat angles C4'-P-C4' energy: -168.825 flat angles P-C4'-P energy: -102.030 tors. eta vs tors. theta energy: -151.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1965.609121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.609121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.609121 (E_RNA) where: Base-Base interactions energy: -1321.880 where: short stacking energy: -587.478 Base-Backbone interact. energy: -0.686 local terms energy: -643.042670 where: bonds (distance) C4'-P energy: -139.042 bonds (distance) P-C4' energy: -133.031 flat angles C4'-P-C4' energy: -149.686 flat angles P-C4'-P energy: -87.163 tors. eta vs tors. theta energy: -134.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1837.417113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.417113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.417113 (E_RNA) where: Base-Base interactions energy: -1244.040 where: short stacking energy: -539.467 Base-Backbone interact. energy: 1.213 local terms energy: -594.589885 where: bonds (distance) C4'-P energy: -133.737 bonds (distance) P-C4' energy: -138.034 flat angles C4'-P-C4' energy: -134.220 flat angles P-C4'-P energy: -85.383 tors. eta vs tors. theta energy: -103.216 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: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1103.178579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.178579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.178579 (E_RNA) where: Base-Base interactions energy: -607.420 where: short stacking energy: -302.321 Base-Backbone interact. energy: 7.004 local terms energy: -502.763070 where: bonds (distance) C4'-P energy: -156.900 bonds (distance) P-C4' energy: -140.115 flat angles C4'-P-C4' energy: -93.493 flat angles P-C4'-P energy: -89.550 tors. eta vs tors. theta energy: -22.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1041.541557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.541557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.541557 (E_RNA) where: Base-Base interactions energy: -612.618 where: short stacking energy: -299.722 Base-Backbone interact. energy: 0.902 local terms energy: -429.826163 where: bonds (distance) C4'-P energy: -116.155 bonds (distance) P-C4' energy: -137.046 flat angles C4'-P-C4' energy: -115.305 flat angles P-C4'-P energy: -67.411 tors. eta vs tors. theta energy: 6.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2972.173835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.173835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.173835 (E_RNA) where: Base-Base interactions energy: -2064.184 where: short stacking energy: -899.009 Base-Backbone interact. energy: -2.966 local terms energy: -905.023189 where: bonds (distance) C4'-P energy: -166.274 bonds (distance) P-C4' energy: -175.731 flat angles C4'-P-C4' energy: -188.301 flat angles P-C4'-P energy: -130.424 tors. eta vs tors. theta energy: -244.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2794.167740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.167740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.167740 (E_RNA) where: Base-Base interactions energy: -1926.516 where: short stacking energy: -844.307 Base-Backbone interact. energy: -5.790 local terms energy: -861.861915 where: bonds (distance) C4'-P energy: -163.543 bonds (distance) P-C4' energy: -176.601 flat angles C4'-P-C4' energy: -192.578 flat angles P-C4'-P energy: -98.251 tors. eta vs tors. theta energy: -230.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2526.969976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.969976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.969976 (E_RNA) where: Base-Base interactions energy: -1698.494 where: short stacking energy: -753.239 Base-Backbone interact. energy: 1.260 local terms energy: -829.736710 where: bonds (distance) C4'-P energy: -164.748 bonds (distance) P-C4' energy: -169.725 flat angles C4'-P-C4' energy: -180.619 flat angles P-C4'-P energy: -113.556 tors. eta vs tors. theta energy: -201.089 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: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2417.111665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.111665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.111665 (E_RNA) where: Base-Base interactions energy: -1647.431 where: short stacking energy: -728.100 Base-Backbone interact. energy: -3.589 local terms energy: -766.090934 where: bonds (distance) C4'-P energy: -156.547 bonds (distance) P-C4' energy: -152.515 flat angles C4'-P-C4' energy: -159.804 flat angles P-C4'-P energy: -117.922 tors. eta vs tors. theta energy: -179.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2323.492049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.492049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.492049 (E_RNA) where: Base-Base interactions energy: -1587.656 where: short stacking energy: -713.662 Base-Backbone interact. energy: -4.252 local terms energy: -731.584857 where: bonds (distance) C4'-P energy: -151.528 bonds (distance) P-C4' energy: -127.914 flat angles C4'-P-C4' energy: -160.086 flat angles P-C4'-P energy: -118.814 tors. eta vs tors. theta energy: -173.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2120.722017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.722017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.722017 (E_RNA) where: Base-Base interactions energy: -1443.353 where: short stacking energy: -617.312 Base-Backbone interact. energy: -2.549 local terms energy: -674.819200 where: bonds (distance) C4'-P energy: -135.498 bonds (distance) P-C4' energy: -142.911 flat angles C4'-P-C4' energy: -153.075 flat angles P-C4'-P energy: -90.526 tors. eta vs tors. theta energy: -152.809 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: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1948.464968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.464968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.464968 (E_RNA) where: Base-Base interactions energy: -1286.474 where: short stacking energy: -583.849 Base-Backbone interact. energy: 1.636 local terms energy: -663.626634 where: bonds (distance) C4'-P energy: -142.818 bonds (distance) P-C4' energy: -154.438 flat angles C4'-P-C4' energy: -152.169 flat angles P-C4'-P energy: -80.229 tors. eta vs tors. theta energy: -133.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1841.788496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.788496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.788496 (E_RNA) where: Base-Base interactions energy: -1181.554 where: short stacking energy: -519.987 Base-Backbone interact. energy: 2.119 local terms energy: -662.353497 where: bonds (distance) C4'-P energy: -155.296 bonds (distance) P-C4' energy: -140.888 flat angles C4'-P-C4' energy: -160.682 flat angles P-C4'-P energy: -98.430 tors. eta vs tors. theta energy: -107.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1072.518305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.518305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.518305 (E_RNA) where: Base-Base interactions energy: -560.559 where: short stacking energy: -299.899 Base-Backbone interact. energy: 1.389 local terms energy: -513.348269 where: bonds (distance) C4'-P energy: -131.286 bonds (distance) P-C4' energy: -155.409 flat angles C4'-P-C4' energy: -116.122 flat angles P-C4'-P energy: -99.963 tors. eta vs tors. theta energy: -10.569 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: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1053.865089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.865089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.865089 (E_RNA) where: Base-Base interactions energy: -602.115 where: short stacking energy: -301.329 Base-Backbone interact. energy: -1.082 local terms energy: -450.667751 where: bonds (distance) C4'-P energy: -129.436 bonds (distance) P-C4' energy: -143.924 flat angles C4'-P-C4' energy: -119.212 flat angles P-C4'-P energy: -59.480 tors. eta vs tors. theta energy: 1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2927.935563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.935563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.935563 (E_RNA) where: Base-Base interactions energy: -2023.862 where: short stacking energy: -912.901 Base-Backbone interact. energy: 5.200 local terms energy: -909.273839 where: bonds (distance) C4'-P energy: -169.959 bonds (distance) P-C4' energy: -169.138 flat angles C4'-P-C4' energy: -191.714 flat angles P-C4'-P energy: -121.541 tors. eta vs tors. theta energy: -256.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2799.183343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.183343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.183343 (E_RNA) where: Base-Base interactions energy: -1923.729 where: short stacking energy: -816.216 Base-Backbone interact. energy: -4.917 local terms energy: -870.537773 where: bonds (distance) C4'-P energy: -166.624 bonds (distance) P-C4' energy: -165.497 flat angles C4'-P-C4' energy: -192.144 flat angles P-C4'-P energy: -125.659 tors. eta vs tors. theta energy: -220.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2490.403698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.403698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.403698 (E_RNA) where: Base-Base interactions energy: -1692.439 where: short stacking energy: -789.856 Base-Backbone interact. energy: 0.048 local terms energy: -798.013375 where: bonds (distance) C4'-P energy: -153.746 bonds (distance) P-C4' energy: -152.260 flat angles C4'-P-C4' energy: -183.578 flat angles P-C4'-P energy: -108.109 tors. eta vs tors. theta energy: -200.321 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: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2430.803354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.803354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.803354 (E_RNA) where: Base-Base interactions energy: -1650.317 where: short stacking energy: -718.814 Base-Backbone interact. energy: -1.312 local terms energy: -779.174572 where: bonds (distance) C4'-P energy: -163.893 bonds (distance) P-C4' energy: -154.829 flat angles C4'-P-C4' energy: -180.276 flat angles P-C4'-P energy: -86.928 tors. eta vs tors. theta energy: -193.248 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: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2407.938976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.938976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.938976 (E_RNA) where: Base-Base interactions energy: -1670.381 where: short stacking energy: -722.083 Base-Backbone interact. energy: -5.091 local terms energy: -732.467368 where: bonds (distance) C4'-P energy: -130.906 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -168.573 flat angles P-C4'-P energy: -99.161 tors. eta vs tors. theta energy: -183.258 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: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2168.946526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.946526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.946526 (E_RNA) where: Base-Base interactions energy: -1479.923 where: short stacking energy: -637.496 Base-Backbone interact. energy: -2.565 local terms energy: -686.457832 where: bonds (distance) C4'-P energy: -140.350 bonds (distance) P-C4' energy: -141.740 flat angles C4'-P-C4' energy: -162.571 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -140.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1854.362051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.362051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.362051 (E_RNA) where: Base-Base interactions energy: -1206.911 where: short stacking energy: -566.714 Base-Backbone interact. energy: -0.714 local terms energy: -646.737118 where: bonds (distance) C4'-P energy: -128.755 bonds (distance) P-C4' energy: -161.173 flat angles C4'-P-C4' energy: -159.683 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -110.425 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: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1861.939730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.939730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.939730 (E_RNA) where: Base-Base interactions energy: -1232.795 where: short stacking energy: -561.618 Base-Backbone interact. energy: -2.123 local terms energy: -627.021814 where: bonds (distance) C4'-P energy: -133.377 bonds (distance) P-C4' energy: -122.550 flat angles C4'-P-C4' energy: -140.233 flat angles P-C4'-P energy: -102.928 tors. eta vs tors. theta energy: -127.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1117.772707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.772707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.772707 (E_RNA) where: Base-Base interactions energy: -667.427 where: short stacking energy: -329.117 Base-Backbone interact. energy: 0.907 local terms energy: -451.252343 where: bonds (distance) C4'-P energy: -117.746 bonds (distance) P-C4' energy: -130.543 flat angles C4'-P-C4' energy: -119.281 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -15.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -973.862233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.862233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.862233 (E_RNA) where: Base-Base interactions energy: -538.835 where: short stacking energy: -279.893 Base-Backbone interact. energy: 0.350 local terms energy: -435.377638 where: bonds (distance) C4'-P energy: -113.302 bonds (distance) P-C4' energy: -152.841 flat angles C4'-P-C4' energy: -109.329 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: 6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2909.950841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.950841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.950841 (E_RNA) where: Base-Base interactions energy: -1995.508 where: short stacking energy: -876.029 Base-Backbone interact. energy: -0.937 local terms energy: -913.506074 where: bonds (distance) C4'-P energy: -173.100 bonds (distance) P-C4' energy: -178.963 flat angles C4'-P-C4' energy: -199.161 flat angles P-C4'-P energy: -120.451 tors. eta vs tors. theta energy: -241.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2775.203143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.203143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.203143 (E_RNA) where: Base-Base interactions energy: -1903.781 where: short stacking energy: -822.857 Base-Backbone interact. energy: 0.870 local terms energy: -872.291486 where: bonds (distance) C4'-P energy: -151.363 bonds (distance) P-C4' energy: -177.447 flat angles C4'-P-C4' energy: -191.357 flat angles P-C4'-P energy: -134.986 tors. eta vs tors. theta energy: -217.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2512.868956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.868956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.868956 (E_RNA) where: Base-Base interactions energy: -1710.972 where: short stacking energy: -755.327 Base-Backbone interact. energy: -0.508 local terms energy: -801.389167 where: bonds (distance) C4'-P energy: -149.048 bonds (distance) P-C4' energy: -158.082 flat angles C4'-P-C4' energy: -167.649 flat angles P-C4'-P energy: -117.868 tors. eta vs tors. theta energy: -208.742 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: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2454.469199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.469199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.469199 (E_RNA) where: Base-Base interactions energy: -1629.590 where: short stacking energy: -728.699 Base-Backbone interact. energy: -1.812 local terms energy: -823.066603 where: bonds (distance) C4'-P energy: -152.245 bonds (distance) P-C4' energy: -159.961 flat angles C4'-P-C4' energy: -176.232 flat angles P-C4'-P energy: -124.712 tors. eta vs tors. theta energy: -209.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2329.749732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.749732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.749732 (E_RNA) where: Base-Base interactions energy: -1585.347 where: short stacking energy: -682.572 Base-Backbone interact. energy: 4.308 local terms energy: -748.711118 where: bonds (distance) C4'-P energy: -152.752 bonds (distance) P-C4' energy: -156.171 flat angles C4'-P-C4' energy: -175.105 flat angles P-C4'-P energy: -99.261 tors. eta vs tors. theta energy: -165.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2154.874424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.874424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.874424 (E_RNA) where: Base-Base interactions energy: -1480.627 where: short stacking energy: -626.922 Base-Backbone interact. energy: -1.725 local terms energy: -672.522082 where: bonds (distance) C4'-P energy: -133.424 bonds (distance) P-C4' energy: -143.802 flat angles C4'-P-C4' energy: -153.890 flat angles P-C4'-P energy: -107.248 tors. eta vs tors. theta energy: -134.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1937.335127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.335127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.335127 (E_RNA) where: Base-Base interactions energy: -1277.203 where: short stacking energy: -542.039 Base-Backbone interact. energy: -1.238 local terms energy: -658.894386 where: bonds (distance) C4'-P energy: -152.812 bonds (distance) P-C4' energy: -150.581 flat angles C4'-P-C4' energy: -143.446 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -118.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1852.801401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.801401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.801401 (E_RNA) where: Base-Base interactions energy: -1222.275 where: short stacking energy: -531.164 Base-Backbone interact. energy: -2.545 local terms energy: -627.980921 where: bonds (distance) C4'-P energy: -123.268 bonds (distance) P-C4' energy: -147.048 flat angles C4'-P-C4' energy: -141.155 flat angles P-C4'-P energy: -98.483 tors. eta vs tors. theta energy: -118.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1222.731984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.731984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.731984 (E_RNA) where: Base-Base interactions energy: -715.812 where: short stacking energy: -376.211 Base-Backbone interact. energy: 4.564 local terms energy: -511.484793 where: bonds (distance) C4'-P energy: -114.672 bonds (distance) P-C4' energy: -157.908 flat angles C4'-P-C4' energy: -140.161 flat angles P-C4'-P energy: -53.245 tors. eta vs tors. theta energy: -45.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -984.718750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.718750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.718750 (E_RNA) where: Base-Base interactions energy: -517.504 where: short stacking energy: -308.474 Base-Backbone interact. energy: -1.705 local terms energy: -465.509504 where: bonds (distance) C4'-P energy: -116.288 bonds (distance) P-C4' energy: -140.418 flat angles C4'-P-C4' energy: -136.921 flat angles P-C4'-P energy: -70.586 tors. eta vs tors. theta energy: -1.296 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: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2916.098787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.098787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.098787 (E_RNA) where: Base-Base interactions energy: -2006.249 where: short stacking energy: -874.156 Base-Backbone interact. energy: -5.069 local terms energy: -904.780481 where: bonds (distance) C4'-P energy: -159.660 bonds (distance) P-C4' energy: -172.364 flat angles C4'-P-C4' energy: -194.402 flat angles P-C4'-P energy: -128.243 tors. eta vs tors. theta energy: -250.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2777.041465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.041465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.041465 (E_RNA) where: Base-Base interactions energy: -1921.808 where: short stacking energy: -820.122 Base-Backbone interact. energy: -2.529 local terms energy: -852.704614 where: bonds (distance) C4'-P energy: -151.753 bonds (distance) P-C4' energy: -164.247 flat angles C4'-P-C4' energy: -186.782 flat angles P-C4'-P energy: -128.913 tors. eta vs tors. theta energy: -221.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2481.395834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.395834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.395834 (E_RNA) where: Base-Base interactions energy: -1682.013 where: short stacking energy: -739.871 Base-Backbone interact. energy: -3.352 local terms energy: -796.030943 where: bonds (distance) C4'-P energy: -135.327 bonds (distance) P-C4' energy: -156.887 flat angles C4'-P-C4' energy: -193.454 flat angles P-C4'-P energy: -115.351 tors. eta vs tors. theta energy: -195.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2439.573615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.573615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.573615 (E_RNA) where: Base-Base interactions energy: -1651.731 where: short stacking energy: -733.147 Base-Backbone interact. energy: 1.384 local terms energy: -789.227063 where: bonds (distance) C4'-P energy: -158.868 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -170.527 flat angles P-C4'-P energy: -116.496 tors. eta vs tors. theta energy: -196.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2356.327673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.327673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.327673 (E_RNA) where: Base-Base interactions energy: -1629.475 where: short stacking energy: -686.840 Base-Backbone interact. energy: -6.500 local terms energy: -720.352680 where: bonds (distance) C4'-P energy: -143.833 bonds (distance) P-C4' energy: -130.195 flat angles C4'-P-C4' energy: -167.790 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -173.380 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: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2146.065557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.065557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.065557 (E_RNA) where: Base-Base interactions energy: -1468.865 where: short stacking energy: -624.372 Base-Backbone interact. energy: -2.332 local terms energy: -674.868305 where: bonds (distance) C4'-P energy: -127.629 bonds (distance) P-C4' energy: -143.900 flat angles C4'-P-C4' energy: -167.987 flat angles P-C4'-P energy: -87.959 tors. eta vs tors. theta energy: -147.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1953.683974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.683974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.683974 (E_RNA) where: Base-Base interactions energy: -1311.466 where: short stacking energy: -565.180 Base-Backbone interact. energy: -3.122 local terms energy: -639.095927 where: bonds (distance) C4'-P energy: -120.642 bonds (distance) P-C4' energy: -138.518 flat angles C4'-P-C4' energy: -136.193 flat angles P-C4'-P energy: -100.562 tors. eta vs tors. theta energy: -143.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1906.521285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.521285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.521285 (E_RNA) where: Base-Base interactions energy: -1273.637 where: short stacking energy: -577.290 Base-Backbone interact. energy: 2.210 local terms energy: -635.094229 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -147.621 flat angles C4'-P-C4' energy: -137.022 flat angles P-C4'-P energy: -110.443 tors. eta vs tors. theta energy: -122.758 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: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1227.173708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.173708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.173708 (E_RNA) where: Base-Base interactions energy: -731.868 where: short stacking energy: -354.134 Base-Backbone interact. energy: 3.535 local terms energy: -498.841262 where: bonds (distance) C4'-P energy: -125.864 bonds (distance) P-C4' energy: -133.524 flat angles C4'-P-C4' energy: -126.517 flat angles P-C4'-P energy: -80.671 tors. eta vs tors. theta energy: -32.266 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: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1021.807602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.807602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.807602 (E_RNA) where: Base-Base interactions energy: -574.553 where: short stacking energy: -320.452 Base-Backbone interact. energy: 0.944 local terms energy: -448.198662 where: bonds (distance) C4'-P energy: -107.759 bonds (distance) P-C4' energy: -123.322 flat angles C4'-P-C4' energy: -116.149 flat angles P-C4'-P energy: -85.884 tors. eta vs tors. theta energy: -15.084 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: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2914.760809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.760809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.760809 (E_RNA) where: Base-Base interactions energy: -2015.712 where: short stacking energy: -886.249 Base-Backbone interact. energy: -2.898 local terms energy: -896.150993 where: bonds (distance) C4'-P energy: -165.567 bonds (distance) P-C4' energy: -150.101 flat angles C4'-P-C4' energy: -191.683 flat angles P-C4'-P energy: -126.384 tors. eta vs tors. theta energy: -262.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2780.793716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.793716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.793716 (E_RNA) where: Base-Base interactions energy: -1921.299 where: short stacking energy: -832.467 Base-Backbone interact. energy: -2.730 local terms energy: -856.764252 where: bonds (distance) C4'-P energy: -158.448 bonds (distance) P-C4' energy: -166.137 flat angles C4'-P-C4' energy: -179.543 flat angles P-C4'-P energy: -134.104 tors. eta vs tors. theta energy: -218.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2480.026057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.026057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.026057 (E_RNA) where: Base-Base interactions energy: -1661.952 where: short stacking energy: -731.540 Base-Backbone interact. energy: 3.599 local terms energy: -821.672686 where: bonds (distance) C4'-P energy: -146.912 bonds (distance) P-C4' energy: -175.893 flat angles C4'-P-C4' energy: -174.449 flat angles P-C4'-P energy: -115.928 tors. eta vs tors. theta energy: -208.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2440.285565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.285565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.285565 (E_RNA) where: Base-Base interactions energy: -1619.529 where: short stacking energy: -718.090 Base-Backbone interact. energy: -2.182 local terms energy: -818.574389 where: bonds (distance) C4'-P energy: -160.945 bonds (distance) P-C4' energy: -174.807 flat angles C4'-P-C4' energy: -170.496 flat angles P-C4'-P energy: -119.422 tors. eta vs tors. theta energy: -192.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2323.804741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.804741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.804741 (E_RNA) where: Base-Base interactions energy: -1574.601 where: short stacking energy: -713.778 Base-Backbone interact. energy: 2.189 local terms energy: -751.392529 where: bonds (distance) C4'-P energy: -157.792 bonds (distance) P-C4' energy: -148.160 flat angles C4'-P-C4' energy: -171.201 flat angles P-C4'-P energy: -108.479 tors. eta vs tors. theta energy: -165.760 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: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2154.900801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.900801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.900801 (E_RNA) where: Base-Base interactions energy: -1466.830 where: short stacking energy: -652.642 Base-Backbone interact. energy: -0.585 local terms energy: -687.485743 where: bonds (distance) C4'-P energy: -122.724 bonds (distance) P-C4' energy: -142.817 flat angles C4'-P-C4' energy: -161.337 flat angles P-C4'-P energy: -96.060 tors. eta vs tors. theta energy: -164.547 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: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1930.313167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.313167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.313167 (E_RNA) where: Base-Base interactions energy: -1280.945 where: short stacking energy: -550.370 Base-Backbone interact. energy: -0.178 local terms energy: -649.189974 where: bonds (distance) C4'-P energy: -141.852 bonds (distance) P-C4' energy: -140.361 flat angles C4'-P-C4' energy: -147.715 flat angles P-C4'-P energy: -106.931 tors. eta vs tors. theta energy: -112.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1802.788512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.788512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.788512 (E_RNA) where: Base-Base interactions energy: -1197.269 where: short stacking energy: -558.991 Base-Backbone interact. energy: 1.719 local terms energy: -607.238637 where: bonds (distance) C4'-P energy: -131.818 bonds (distance) P-C4' energy: -143.359 flat angles C4'-P-C4' energy: -142.564 flat angles P-C4'-P energy: -82.638 tors. eta vs tors. theta energy: -106.859 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: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1222.707159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.707159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.707159 (E_RNA) where: Base-Base interactions energy: -733.455 where: short stacking energy: -382.364 Base-Backbone interact. energy: 4.158 local terms energy: -493.409792 where: bonds (distance) C4'-P energy: -126.821 bonds (distance) P-C4' energy: -134.268 flat angles C4'-P-C4' energy: -125.165 flat angles P-C4'-P energy: -63.135 tors. eta vs tors. theta energy: -44.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1003.531023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.531023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.531023 (E_RNA) where: Base-Base interactions energy: -552.909 where: short stacking energy: -288.478 Base-Backbone interact. energy: 7.692 local terms energy: -458.314161 where: bonds (distance) C4'-P energy: -129.427 bonds (distance) P-C4' energy: -119.365 flat angles C4'-P-C4' energy: -134.743 flat angles P-C4'-P energy: -75.982 tors. eta vs tors. theta energy: 1.203 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: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2901.252417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.252417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.252417 (E_RNA) where: Base-Base interactions energy: -1999.520 where: short stacking energy: -875.964 Base-Backbone interact. energy: -5.190 local terms energy: -896.543170 where: bonds (distance) C4'-P energy: -158.806 bonds (distance) P-C4' energy: -161.163 flat angles C4'-P-C4' energy: -193.278 flat angles P-C4'-P energy: -138.129 tors. eta vs tors. theta energy: -245.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2809.624293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.624293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.624293 (E_RNA) where: Base-Base interactions energy: -1971.919 where: short stacking energy: -862.473 Base-Backbone interact. energy: 0.425 local terms energy: -838.130653 where: bonds (distance) C4'-P energy: -155.847 bonds (distance) P-C4' energy: -166.778 flat angles C4'-P-C4' energy: -176.790 flat angles P-C4'-P energy: -113.364 tors. eta vs tors. theta energy: -225.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2484.471638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.471638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.471638 (E_RNA) where: Base-Base interactions energy: -1684.275 where: short stacking energy: -796.539 Base-Backbone interact. energy: -2.949 local terms energy: -797.247421 where: bonds (distance) C4'-P energy: -134.035 bonds (distance) P-C4' energy: -161.402 flat angles C4'-P-C4' energy: -180.672 flat angles P-C4'-P energy: -124.607 tors. eta vs tors. theta energy: -196.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2461.799761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.799761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.799761 (E_RNA) where: Base-Base interactions energy: -1646.260 where: short stacking energy: -738.273 Base-Backbone interact. energy: -3.567 local terms energy: -811.972751 where: bonds (distance) C4'-P energy: -153.182 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -181.868 flat angles P-C4'-P energy: -102.403 tors. eta vs tors. theta energy: -219.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2337.447950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.447950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.447950 (E_RNA) where: Base-Base interactions energy: -1594.690 where: short stacking energy: -688.045 Base-Backbone interact. energy: -1.835 local terms energy: -740.922939 where: bonds (distance) C4'-P energy: -138.146 bonds (distance) P-C4' energy: -157.179 flat angles C4'-P-C4' energy: -170.329 flat angles P-C4'-P energy: -106.266 tors. eta vs tors. theta energy: -169.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2164.223190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.223190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.223190 (E_RNA) where: Base-Base interactions energy: -1437.100 where: short stacking energy: -630.409 Base-Backbone interact. energy: 0.515 local terms energy: -727.638179 where: bonds (distance) C4'-P energy: -164.178 bonds (distance) P-C4' energy: -151.580 flat angles C4'-P-C4' energy: -165.257 flat angles P-C4'-P energy: -87.428 tors. eta vs tors. theta energy: -159.195 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: 8 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1955.817603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.817603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.817603 (E_RNA) where: Base-Base interactions energy: -1256.809 where: short stacking energy: -566.961 Base-Backbone interact. energy: -1.219 local terms energy: -697.789899 where: bonds (distance) C4'-P energy: -129.754 bonds (distance) P-C4' energy: -165.063 flat angles C4'-P-C4' energy: -160.500 flat angles P-C4'-P energy: -110.607 tors. eta vs tors. theta energy: -131.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1854.168263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.168263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.168263 (E_RNA) where: Base-Base interactions energy: -1205.559 where: short stacking energy: -545.913 Base-Backbone interact. energy: -3.794 local terms energy: -644.814728 where: bonds (distance) C4'-P energy: -145.401 bonds (distance) P-C4' energy: -133.127 flat angles C4'-P-C4' energy: -157.420 flat angles P-C4'-P energy: -99.131 tors. eta vs tors. theta energy: -109.736 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: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1215.646456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.646456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.646456 (E_RNA) where: Base-Base interactions energy: -731.028 where: short stacking energy: -349.683 Base-Backbone interact. energy: -2.810 local terms energy: -481.808751 where: bonds (distance) C4'-P energy: -128.970 bonds (distance) P-C4' energy: -132.289 flat angles C4'-P-C4' energy: -110.778 flat angles P-C4'-P energy: -57.915 tors. eta vs tors. theta energy: -51.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1056.711494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.711494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.711494 (E_RNA) where: Base-Base interactions energy: -581.606 where: short stacking energy: -271.466 Base-Backbone interact. energy: 6.822 local terms energy: -481.928070 where: bonds (distance) C4'-P energy: -125.473 bonds (distance) P-C4' energy: -154.267 flat angles C4'-P-C4' energy: -115.188 flat angles P-C4'-P energy: -78.136 tors. eta vs tors. theta energy: -8.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2888.136300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.136300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.136300 (E_RNA) where: Base-Base interactions energy: -1970.184 where: short stacking energy: -862.211 Base-Backbone interact. energy: -1.319 local terms energy: -916.633530 where: bonds (distance) C4'-P energy: -182.148 bonds (distance) P-C4' energy: -170.430 flat angles C4'-P-C4' energy: -194.757 flat angles P-C4'-P energy: -119.144 tors. eta vs tors. theta energy: -250.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2807.433617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.433617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.433617 (E_RNA) where: Base-Base interactions energy: -1950.826 where: short stacking energy: -833.911 Base-Backbone interact. energy: -4.659 local terms energy: -851.948993 where: bonds (distance) C4'-P energy: -164.788 bonds (distance) P-C4' energy: -167.997 flat angles C4'-P-C4' energy: -184.179 flat angles P-C4'-P energy: -119.517 tors. eta vs tors. theta energy: -215.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2488.261878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.261878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.261878 (E_RNA) where: Base-Base interactions energy: -1679.096 where: short stacking energy: -742.452 Base-Backbone interact. energy: -2.918 local terms energy: -806.247661 where: bonds (distance) C4'-P energy: -150.720 bonds (distance) P-C4' energy: -169.700 flat angles C4'-P-C4' energy: -167.799 flat angles P-C4'-P energy: -124.674 tors. eta vs tors. theta energy: -193.355 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: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2469.497621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.497621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.497621 (E_RNA) where: Base-Base interactions energy: -1672.522 where: short stacking energy: -745.072 Base-Backbone interact. energy: -1.350 local terms energy: -795.624783 where: bonds (distance) C4'-P energy: -151.811 bonds (distance) P-C4' energy: -144.663 flat angles C4'-P-C4' energy: -177.645 flat angles P-C4'-P energy: -124.151 tors. eta vs tors. theta energy: -197.355 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: 125 Temperature: 1.100000 Total energy: -2308.640123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.640123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.640123 (E_RNA) where: Base-Base interactions energy: -1596.240 where: short stacking energy: -687.987 Base-Backbone interact. energy: -2.931 local terms energy: -709.469469 where: bonds (distance) C4'-P energy: -140.983 bonds (distance) P-C4' energy: -139.304 flat angles C4'-P-C4' energy: -164.733 flat angles P-C4'-P energy: -93.370 tors. eta vs tors. theta energy: -171.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2147.528007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.528007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.528007 (E_RNA) where: Base-Base interactions energy: -1423.061 where: short stacking energy: -639.190 Base-Backbone interact. energy: -2.854 local terms energy: -721.613503 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -148.234 flat angles C4'-P-C4' energy: -168.038 flat angles P-C4'-P energy: -109.171 tors. eta vs tors. theta energy: -172.520 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: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1994.138106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.138106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.138106 (E_RNA) where: Base-Base interactions energy: -1314.293 where: short stacking energy: -555.335 Base-Backbone interact. energy: -0.034 local terms energy: -679.810598 where: bonds (distance) C4'-P energy: -147.555 bonds (distance) P-C4' energy: -155.537 flat angles C4'-P-C4' energy: -153.633 flat angles P-C4'-P energy: -90.629 tors. eta vs tors. theta energy: -132.457 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: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1822.549010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.549010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.549010 (E_RNA) where: Base-Base interactions energy: -1214.965 where: short stacking energy: -503.597 Base-Backbone interact. energy: -0.045 local terms energy: -607.538566 where: bonds (distance) C4'-P energy: -132.506 bonds (distance) P-C4' energy: -163.407 flat angles C4'-P-C4' energy: -133.274 flat angles P-C4'-P energy: -76.992 tors. eta vs tors. theta energy: -101.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1235.876627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.876627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.876627 (E_RNA) where: Base-Base interactions energy: -730.914 where: short stacking energy: -336.383 Base-Backbone interact. energy: 1.825 local terms energy: -506.787319 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -135.111 flat angles C4'-P-C4' energy: -140.890 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -35.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1054.056722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.056722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.056722 (E_RNA) where: Base-Base interactions energy: -593.659 where: short stacking energy: -277.044 Base-Backbone interact. energy: 0.995 local terms energy: -461.391896 where: bonds (distance) C4'-P energy: -124.333 bonds (distance) P-C4' energy: -145.253 flat angles C4'-P-C4' energy: -105.468 flat angles P-C4'-P energy: -79.289 tors. eta vs tors. theta energy: -7.049 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: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2911.444205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.444205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.444205 (E_RNA) where: Base-Base interactions energy: -2003.311 where: short stacking energy: -890.439 Base-Backbone interact. energy: -4.420 local terms energy: -903.713346 where: bonds (distance) C4'-P energy: -156.646 bonds (distance) P-C4' energy: -179.586 flat angles C4'-P-C4' energy: -195.958 flat angles P-C4'-P energy: -136.931 tors. eta vs tors. theta energy: -234.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2825.046755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.046755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.046755 (E_RNA) where: Base-Base interactions energy: -1945.516 where: short stacking energy: -818.515 Base-Backbone interact. energy: -2.135 local terms energy: -877.395585 where: bonds (distance) C4'-P energy: -156.392 bonds (distance) P-C4' energy: -170.791 flat angles C4'-P-C4' energy: -190.171 flat angles P-C4'-P energy: -132.944 tors. eta vs tors. theta energy: -227.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2520.513964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.513964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.513964 (E_RNA) where: Base-Base interactions energy: -1689.247 where: short stacking energy: -748.132 Base-Backbone interact. energy: -1.457 local terms energy: -829.809772 where: bonds (distance) C4'-P energy: -164.888 bonds (distance) P-C4' energy: -169.484 flat angles C4'-P-C4' energy: -176.384 flat angles P-C4'-P energy: -125.838 tors. eta vs tors. theta energy: -193.217 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: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2444.958793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.958793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.958793 (E_RNA) where: Base-Base interactions energy: -1649.466 where: short stacking energy: -742.833 Base-Backbone interact. energy: -0.030 local terms energy: -795.463227 where: bonds (distance) C4'-P energy: -135.388 bonds (distance) P-C4' energy: -157.908 flat angles C4'-P-C4' energy: -172.995 flat angles P-C4'-P energy: -120.853 tors. eta vs tors. theta energy: -208.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2331.325288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.325288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.325288 (E_RNA) where: Base-Base interactions energy: -1572.689 where: short stacking energy: -707.163 Base-Backbone interact. energy: -3.728 local terms energy: -754.908671 where: bonds (distance) C4'-P energy: -140.136 bonds (distance) P-C4' energy: -148.636 flat angles C4'-P-C4' energy: -167.665 flat angles P-C4'-P energy: -108.571 tors. eta vs tors. theta energy: -189.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2154.567316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.567316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.567316 (E_RNA) where: Base-Base interactions energy: -1472.038 where: short stacking energy: -629.222 Base-Backbone interact. energy: -0.481 local terms energy: -682.048239 where: bonds (distance) C4'-P energy: -136.636 bonds (distance) P-C4' energy: -141.537 flat angles C4'-P-C4' energy: -164.858 flat angles P-C4'-P energy: -90.767 tors. eta vs tors. theta energy: -148.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1988.926342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.926342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.926342 (E_RNA) where: Base-Base interactions energy: -1303.691 where: short stacking energy: -604.111 Base-Backbone interact. energy: 5.486 local terms energy: -690.720618 where: bonds (distance) C4'-P energy: -144.299 bonds (distance) P-C4' energy: -148.921 flat angles C4'-P-C4' energy: -160.635 flat angles P-C4'-P energy: -103.632 tors. eta vs tors. theta energy: -133.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1813.499568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.499568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.499568 (E_RNA) where: Base-Base interactions energy: -1188.160 where: short stacking energy: -541.047 Base-Backbone interact. energy: 1.636 local terms energy: -626.975675 where: bonds (distance) C4'-P energy: -131.895 bonds (distance) P-C4' energy: -157.291 flat angles C4'-P-C4' energy: -151.898 flat angles P-C4'-P energy: -80.858 tors. eta vs tors. theta energy: -105.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1273.342539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.342539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.342539 (E_RNA) where: Base-Base interactions energy: -744.595 where: short stacking energy: -392.183 Base-Backbone interact. energy: -0.593 local terms energy: -528.154321 where: bonds (distance) C4'-P energy: -117.584 bonds (distance) P-C4' energy: -164.434 flat angles C4'-P-C4' energy: -120.837 flat angles P-C4'-P energy: -65.467 tors. eta vs tors. theta energy: -59.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1020.152202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.152202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.152202 (E_RNA) where: Base-Base interactions energy: -595.756 where: short stacking energy: -305.450 Base-Backbone interact. energy: 10.423 local terms energy: -434.818519 where: bonds (distance) C4'-P energy: -118.764 bonds (distance) P-C4' energy: -132.831 flat angles C4'-P-C4' energy: -113.657 flat angles P-C4'-P energy: -67.560 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2955.442135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.442135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.442135 (E_RNA) where: Base-Base interactions energy: -2026.449 where: short stacking energy: -905.678 Base-Backbone interact. energy: -4.710 local terms energy: -924.283224 where: bonds (distance) C4'-P energy: -169.644 bonds (distance) P-C4' energy: -174.131 flat angles C4'-P-C4' energy: -190.056 flat angles P-C4'-P energy: -139.268 tors. eta vs tors. theta energy: -251.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2866.039137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.039137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.039137 (E_RNA) where: Base-Base interactions energy: -1988.533 where: short stacking energy: -846.875 Base-Backbone interact. energy: -2.442 local terms energy: -875.063827 where: bonds (distance) C4'-P energy: -165.439 bonds (distance) P-C4' energy: -155.880 flat angles C4'-P-C4' energy: -188.580 flat angles P-C4'-P energy: -126.207 tors. eta vs tors. theta energy: -238.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2521.440832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.440832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.440832 (E_RNA) where: Base-Base interactions energy: -1722.194 where: short stacking energy: -768.973 Base-Backbone interact. energy: -6.303 local terms energy: -792.943409 where: bonds (distance) C4'-P energy: -132.875 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -178.376 flat angles P-C4'-P energy: -126.637 tors. eta vs tors. theta energy: -195.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2455.840795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.840795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.840795 (E_RNA) where: Base-Base interactions energy: -1640.545 where: short stacking energy: -719.249 Base-Backbone interact. energy: -2.637 local terms energy: -812.658758 where: bonds (distance) C4'-P energy: -162.149 bonds (distance) P-C4' energy: -167.008 flat angles C4'-P-C4' energy: -165.685 flat angles P-C4'-P energy: -116.157 tors. eta vs tors. theta energy: -201.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2374.085477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.085477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.085477 (E_RNA) where: Base-Base interactions energy: -1607.520 where: short stacking energy: -707.324 Base-Backbone interact. energy: -3.094 local terms energy: -763.471008 where: bonds (distance) C4'-P energy: -148.271 bonds (distance) P-C4' energy: -128.697 flat angles C4'-P-C4' energy: -181.810 flat angles P-C4'-P energy: -112.546 tors. eta vs tors. theta energy: -192.148 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: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2200.158340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.158340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.158340 (E_RNA) where: Base-Base interactions energy: -1491.325 where: short stacking energy: -617.821 Base-Backbone interact. energy: -2.968 local terms energy: -705.865142 where: bonds (distance) C4'-P energy: -148.638 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -164.765 flat angles P-C4'-P energy: -98.058 tors. eta vs tors. theta energy: -156.225 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: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2009.688718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.688718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.688718 (E_RNA) where: Base-Base interactions energy: -1337.418 where: short stacking energy: -618.533 Base-Backbone interact. energy: -0.908 local terms energy: -671.362303 where: bonds (distance) C4'-P energy: -148.948 bonds (distance) P-C4' energy: -152.001 flat angles C4'-P-C4' energy: -151.439 flat angles P-C4'-P energy: -76.235 tors. eta vs tors. theta energy: -142.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1855.106235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.106235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.106235 (E_RNA) where: Base-Base interactions energy: -1218.357 where: short stacking energy: -518.238 Base-Backbone interact. energy: 1.067 local terms energy: -637.815830 where: bonds (distance) C4'-P energy: -136.445 bonds (distance) P-C4' energy: -154.476 flat angles C4'-P-C4' energy: -153.780 flat angles P-C4'-P energy: -88.022 tors. eta vs tors. theta energy: -105.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1266.497023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.497023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.497023 (E_RNA) where: Base-Base interactions energy: -787.693 where: short stacking energy: -380.370 Base-Backbone interact. energy: 9.506 local terms energy: -488.309966 where: bonds (distance) C4'-P energy: -123.622 bonds (distance) P-C4' energy: -137.460 flat angles C4'-P-C4' energy: -125.595 flat angles P-C4'-P energy: -57.356 tors. eta vs tors. theta energy: -44.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -978.308691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.308691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.308691 (E_RNA) where: Base-Base interactions energy: -535.348 where: short stacking energy: -269.906 Base-Backbone interact. energy: 3.004 local terms energy: -445.964641 where: bonds (distance) C4'-P energy: -127.431 bonds (distance) P-C4' energy: -129.149 flat angles C4'-P-C4' energy: -139.215 flat angles P-C4'-P energy: -61.009 tors. eta vs tors. theta energy: 10.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2916.142535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.142535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.142535 (E_RNA) where: Base-Base interactions energy: -2001.161 where: short stacking energy: -900.458 Base-Backbone interact. energy: -0.761 local terms energy: -914.220011 where: bonds (distance) C4'-P energy: -156.420 bonds (distance) P-C4' energy: -174.701 flat angles C4'-P-C4' energy: -206.923 flat angles P-C4'-P energy: -122.284 tors. eta vs tors. theta energy: -253.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2845.508132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.508132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.508132 (E_RNA) where: Base-Base interactions energy: -1988.550 where: short stacking energy: -854.151 Base-Backbone interact. energy: -4.882 local terms energy: -852.076402 where: bonds (distance) C4'-P energy: -161.753 bonds (distance) P-C4' energy: -176.682 flat angles C4'-P-C4' energy: -172.706 flat angles P-C4'-P energy: -119.512 tors. eta vs tors. theta energy: -221.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2563.900908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.900908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.900908 (E_RNA) where: Base-Base interactions energy: -1736.949 where: short stacking energy: -716.708 Base-Backbone interact. energy: -2.839 local terms energy: -824.112634 where: bonds (distance) C4'-P energy: -162.086 bonds (distance) P-C4' energy: -160.365 flat angles C4'-P-C4' energy: -178.423 flat angles P-C4'-P energy: -113.059 tors. eta vs tors. theta energy: -210.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2456.998983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.998983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.998983 (E_RNA) where: Base-Base interactions energy: -1657.711 where: short stacking energy: -757.497 Base-Backbone interact. energy: -1.211 local terms energy: -798.077373 where: bonds (distance) C4'-P energy: -156.710 bonds (distance) P-C4' energy: -142.230 flat angles C4'-P-C4' energy: -178.971 flat angles P-C4'-P energy: -124.705 tors. eta vs tors. theta energy: -195.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2352.245003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.245003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.245003 (E_RNA) where: Base-Base interactions energy: -1616.822 where: short stacking energy: -679.988 Base-Backbone interact. energy: 0.277 local terms energy: -735.699355 where: bonds (distance) C4'-P energy: -141.048 bonds (distance) P-C4' energy: -157.640 flat angles C4'-P-C4' energy: -169.133 flat angles P-C4'-P energy: -94.016 tors. eta vs tors. theta energy: -173.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2154.362833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.362833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.362833 (E_RNA) where: Base-Base interactions energy: -1453.475 where: short stacking energy: -620.950 Base-Backbone interact. energy: -0.264 local terms energy: -700.623949 where: bonds (distance) C4'-P energy: -140.109 bonds (distance) P-C4' energy: -148.256 flat angles C4'-P-C4' energy: -159.904 flat angles P-C4'-P energy: -97.441 tors. eta vs tors. theta energy: -154.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2067.146682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.146682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.146682 (E_RNA) where: Base-Base interactions energy: -1368.553 where: short stacking energy: -646.150 Base-Backbone interact. energy: -0.655 local terms energy: -697.938701 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -128.187 flat angles C4'-P-C4' energy: -151.469 flat angles P-C4'-P energy: -104.252 tors. eta vs tors. theta energy: -164.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1936.097841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.097841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.097841 (E_RNA) where: Base-Base interactions energy: -1301.661 where: short stacking energy: -570.546 Base-Backbone interact. energy: -1.213 local terms energy: -633.223272 where: bonds (distance) C4'-P energy: -133.488 bonds (distance) P-C4' energy: -142.410 flat angles C4'-P-C4' energy: -150.027 flat angles P-C4'-P energy: -92.173 tors. eta vs tors. theta energy: -115.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1275.303516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.303516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.303516 (E_RNA) where: Base-Base interactions energy: -775.810 where: short stacking energy: -389.637 Base-Backbone interact. energy: 8.131 local terms energy: -507.625161 where: bonds (distance) C4'-P energy: -127.045 bonds (distance) P-C4' energy: -124.918 flat angles C4'-P-C4' energy: -124.879 flat angles P-C4'-P energy: -87.832 tors. eta vs tors. theta energy: -42.951 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: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1040.916192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.916192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.916192 (E_RNA) where: Base-Base interactions energy: -571.590 where: short stacking energy: -285.151 Base-Backbone interact. energy: -0.511 local terms energy: -468.814375 where: bonds (distance) C4'-P energy: -112.161 bonds (distance) P-C4' energy: -146.223 flat angles C4'-P-C4' energy: -122.280 flat angles P-C4'-P energy: -84.221 tors. eta vs tors. theta energy: -3.930 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: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2927.312862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.312862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.312862 (E_RNA) where: Base-Base interactions energy: -2009.330 where: short stacking energy: -898.716 Base-Backbone interact. energy: -3.624 local terms energy: -914.358442 where: bonds (distance) C4'-P energy: -167.778 bonds (distance) P-C4' energy: -176.763 flat angles C4'-P-C4' energy: -190.562 flat angles P-C4'-P energy: -136.164 tors. eta vs tors. theta energy: -243.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2832.392942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.392942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.392942 (E_RNA) where: Base-Base interactions energy: -1968.841 where: short stacking energy: -840.266 Base-Backbone interact. energy: -0.894 local terms energy: -862.658033 where: bonds (distance) C4'-P energy: -168.225 bonds (distance) P-C4' energy: -178.231 flat angles C4'-P-C4' energy: -181.507 flat angles P-C4'-P energy: -111.388 tors. eta vs tors. theta energy: -223.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2583.146810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.146810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.146810 (E_RNA) where: Base-Base interactions energy: -1745.485 where: short stacking energy: -761.488 Base-Backbone interact. energy: -5.835 local terms energy: -831.826604 where: bonds (distance) C4'-P energy: -150.433 bonds (distance) P-C4' energy: -161.342 flat angles C4'-P-C4' energy: -182.410 flat angles P-C4'-P energy: -129.711 tors. eta vs tors. theta energy: -207.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2480.963416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.963416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.963416 (E_RNA) where: Base-Base interactions energy: -1676.920 where: short stacking energy: -772.050 Base-Backbone interact. energy: 1.112 local terms energy: -805.154666 where: bonds (distance) C4'-P energy: -129.338 bonds (distance) P-C4' energy: -163.160 flat angles C4'-P-C4' energy: -176.479 flat angles P-C4'-P energy: -116.275 tors. eta vs tors. theta energy: -219.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2362.414574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.414574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.414574 (E_RNA) where: Base-Base interactions energy: -1568.913 where: short stacking energy: -708.335 Base-Backbone interact. energy: -4.807 local terms energy: -788.693687 where: bonds (distance) C4'-P energy: -160.094 bonds (distance) P-C4' energy: -157.118 flat angles C4'-P-C4' energy: -163.545 flat angles P-C4'-P energy: -112.986 tors. eta vs tors. theta energy: -194.950 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: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2165.256623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.256623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.256623 (E_RNA) where: Base-Base interactions energy: -1438.055 where: short stacking energy: -615.911 Base-Backbone interact. energy: -3.243 local terms energy: -723.959396 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -165.133 flat angles C4'-P-C4' energy: -163.719 flat angles P-C4'-P energy: -94.411 tors. eta vs tors. theta energy: -167.672 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: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1921.387319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.387319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.387319 (E_RNA) where: Base-Base interactions energy: -1286.847 where: short stacking energy: -578.086 Base-Backbone interact. energy: 4.171 local terms energy: -638.711368 where: bonds (distance) C4'-P energy: -136.384 bonds (distance) P-C4' energy: -120.693 flat angles C4'-P-C4' energy: -155.567 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -129.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1861.685371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.685371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.685371 (E_RNA) where: Base-Base interactions energy: -1281.505 where: short stacking energy: -547.800 Base-Backbone interact. energy: 6.785 local terms energy: -586.964557 where: bonds (distance) C4'-P energy: -135.599 bonds (distance) P-C4' energy: -112.845 flat angles C4'-P-C4' energy: -135.991 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -111.697 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: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1222.305330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.305330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.305330 (E_RNA) where: Base-Base interactions energy: -684.993 where: short stacking energy: -335.906 Base-Backbone interact. energy: -0.944 local terms energy: -536.368538 where: bonds (distance) C4'-P energy: -150.710 bonds (distance) P-C4' energy: -145.450 flat angles C4'-P-C4' energy: -125.176 flat angles P-C4'-P energy: -73.473 tors. eta vs tors. theta energy: -41.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -933.021182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.021182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.021182 (E_RNA) where: Base-Base interactions energy: -466.404 where: short stacking energy: -267.166 Base-Backbone interact. energy: -0.038 local terms energy: -466.579029 where: bonds (distance) C4'-P energy: -116.978 bonds (distance) P-C4' energy: -142.735 flat angles C4'-P-C4' energy: -110.788 flat angles P-C4'-P energy: -97.814 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: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2908.099330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.099330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.099330 (E_RNA) where: Base-Base interactions energy: -2015.421 where: short stacking energy: -906.415 Base-Backbone interact. energy: -0.431 local terms energy: -892.247594 where: bonds (distance) C4'-P energy: -158.355 bonds (distance) P-C4' energy: -172.682 flat angles C4'-P-C4' energy: -186.743 flat angles P-C4'-P energy: -117.797 tors. eta vs tors. theta energy: -256.670 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: 130 Temperature: 0.950000 Total energy: -2861.684399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.684399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.684399 (E_RNA) where: Base-Base interactions energy: -1982.594 where: short stacking energy: -846.577 Base-Backbone interact. energy: -4.089 local terms energy: -875.000987 where: bonds (distance) C4'-P energy: -160.870 bonds (distance) P-C4' energy: -160.816 flat angles C4'-P-C4' energy: -193.498 flat angles P-C4'-P energy: -131.371 tors. eta vs tors. theta energy: -228.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2583.267243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.267243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.267243 (E_RNA) where: Base-Base interactions energy: -1798.081 where: short stacking energy: -787.042 Base-Backbone interact. energy: -4.847 local terms energy: -780.340124 where: bonds (distance) C4'-P energy: -146.200 bonds (distance) P-C4' energy: -150.616 flat angles C4'-P-C4' energy: -175.451 flat angles P-C4'-P energy: -107.358 tors. eta vs tors. theta energy: -200.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2472.357417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.357417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.357417 (E_RNA) where: Base-Base interactions energy: -1666.954 where: short stacking energy: -761.532 Base-Backbone interact. energy: -0.744 local terms energy: -804.659236 where: bonds (distance) C4'-P energy: -155.624 bonds (distance) P-C4' energy: -141.446 flat angles C4'-P-C4' energy: -193.540 flat angles P-C4'-P energy: -112.836 tors. eta vs tors. theta energy: -201.213 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: 130 Temperature: 1.100000 Total energy: -2312.122748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.122748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.122748 (E_RNA) where: Base-Base interactions energy: -1547.753 where: short stacking energy: -680.275 Base-Backbone interact. energy: -1.891 local terms energy: -762.478734 where: bonds (distance) C4'-P energy: -159.604 bonds (distance) P-C4' energy: -148.017 flat angles C4'-P-C4' energy: -175.432 flat angles P-C4'-P energy: -105.130 tors. eta vs tors. theta energy: -174.295 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: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2089.464374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.464374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.464374 (E_RNA) where: Base-Base interactions energy: -1397.251 where: short stacking energy: -641.386 Base-Backbone interact. energy: -3.160 local terms energy: -689.053157 where: bonds (distance) C4'-P energy: -143.360 bonds (distance) P-C4' energy: -148.556 flat angles C4'-P-C4' energy: -139.950 flat angles P-C4'-P energy: -95.649 tors. eta vs tors. theta energy: -161.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1974.444822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.444822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.444822 (E_RNA) where: Base-Base interactions energy: -1274.976 where: short stacking energy: -539.626 Base-Backbone interact. energy: -0.902 local terms energy: -698.566363 where: bonds (distance) C4'-P energy: -134.463 bonds (distance) P-C4' energy: -155.804 flat angles C4'-P-C4' energy: -170.160 flat angles P-C4'-P energy: -107.587 tors. eta vs tors. theta energy: -130.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1808.131693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.131693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.131693 (E_RNA) where: Base-Base interactions energy: -1201.568 where: short stacking energy: -531.490 Base-Backbone interact. energy: -0.963 local terms energy: -605.601165 where: bonds (distance) C4'-P energy: -142.714 bonds (distance) P-C4' energy: -146.027 flat angles C4'-P-C4' energy: -124.955 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -96.922 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: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1228.739621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.739621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.739621 (E_RNA) where: Base-Base interactions energy: -715.148 where: short stacking energy: -382.679 Base-Backbone interact. energy: 6.699 local terms energy: -520.290581 where: bonds (distance) C4'-P energy: -137.339 bonds (distance) P-C4' energy: -142.416 flat angles C4'-P-C4' energy: -128.012 flat angles P-C4'-P energy: -72.158 tors. eta vs tors. theta energy: -40.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -944.289166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.289166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.289166 (E_RNA) where: Base-Base interactions energy: -480.397 where: short stacking energy: -271.776 Base-Backbone interact. energy: -2.360 local terms energy: -461.532281 where: bonds (distance) C4'-P energy: -126.840 bonds (distance) P-C4' energy: -133.196 flat angles C4'-P-C4' energy: -109.604 flat angles P-C4'-P energy: -76.990 tors. eta vs tors. theta energy: -14.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2926.056298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.056298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.056298 (E_RNA) where: Base-Base interactions energy: -2003.384 where: short stacking energy: -886.721 Base-Backbone interact. energy: 0.642 local terms energy: -923.314114 where: bonds (distance) C4'-P energy: -166.348 bonds (distance) P-C4' energy: -176.042 flat angles C4'-P-C4' energy: -196.563 flat angles P-C4'-P energy: -142.784 tors. eta vs tors. theta energy: -241.577 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: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2811.740716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.740716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.740716 (E_RNA) where: Base-Base interactions energy: -1955.414 where: short stacking energy: -840.128 Base-Backbone interact. energy: 0.422 local terms energy: -856.749449 where: bonds (distance) C4'-P energy: -151.942 bonds (distance) P-C4' energy: -173.992 flat angles C4'-P-C4' energy: -179.202 flat angles P-C4'-P energy: -126.281 tors. eta vs tors. theta energy: -225.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2589.560296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.560296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.560296 (E_RNA) where: Base-Base interactions energy: -1759.602 where: short stacking energy: -778.066 Base-Backbone interact. energy: -0.045 local terms energy: -829.914181 where: bonds (distance) C4'-P energy: -144.750 bonds (distance) P-C4' energy: -170.317 flat angles C4'-P-C4' energy: -190.833 flat angles P-C4'-P energy: -109.962 tors. eta vs tors. theta energy: -214.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2518.026927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.026927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.026927 (E_RNA) where: Base-Base interactions energy: -1704.761 where: short stacking energy: -760.396 Base-Backbone interact. energy: -3.767 local terms energy: -809.498643 where: bonds (distance) C4'-P energy: -150.349 bonds (distance) P-C4' energy: -164.285 flat angles C4'-P-C4' energy: -166.412 flat angles P-C4'-P energy: -121.979 tors. eta vs tors. theta energy: -206.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2387.518993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.518993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.518993 (E_RNA) where: Base-Base interactions energy: -1620.291 where: short stacking energy: -727.545 Base-Backbone interact. energy: -4.790 local terms energy: -762.437940 where: bonds (distance) C4'-P energy: -145.510 bonds (distance) P-C4' energy: -139.347 flat angles C4'-P-C4' energy: -172.894 flat angles P-C4'-P energy: -105.229 tors. eta vs tors. theta energy: -199.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2073.575514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.575514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.575514 (E_RNA) where: Base-Base interactions energy: -1368.415 where: short stacking energy: -603.481 Base-Backbone interact. energy: 3.200 local terms energy: -708.359726 where: bonds (distance) C4'-P energy: -145.238 bonds (distance) P-C4' energy: -158.864 flat angles C4'-P-C4' energy: -159.672 flat angles P-C4'-P energy: -103.155 tors. eta vs tors. theta energy: -141.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1982.808417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.808417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.808417 (E_RNA) where: Base-Base interactions energy: -1341.318 where: short stacking energy: -603.254 Base-Backbone interact. energy: 1.523 local terms energy: -643.013047 where: bonds (distance) C4'-P energy: -135.591 bonds (distance) P-C4' energy: -144.028 flat angles C4'-P-C4' energy: -152.028 flat angles P-C4'-P energy: -91.787 tors. eta vs tors. theta energy: -119.579 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: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1819.929327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.929327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.929327 (E_RNA) where: Base-Base interactions energy: -1188.767 where: short stacking energy: -536.201 Base-Backbone interact. energy: -1.958 local terms energy: -629.204224 where: bonds (distance) C4'-P energy: -127.271 bonds (distance) P-C4' energy: -148.722 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -84.742 tors. eta vs tors. theta energy: -135.803 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: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1271.076583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.076583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.076583 (E_RNA) where: Base-Base interactions energy: -756.427 where: short stacking energy: -349.194 Base-Backbone interact. energy: 5.118 local terms energy: -519.767167 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -135.678 flat angles P-C4'-P energy: -76.545 tors. eta vs tors. theta energy: -43.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -856.612608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.612608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.612608 (E_RNA) where: Base-Base interactions energy: -448.652 where: short stacking energy: -246.941 Base-Backbone interact. energy: 2.021 local terms energy: -409.981366 where: bonds (distance) C4'-P energy: -122.077 bonds (distance) P-C4' energy: -147.875 flat angles C4'-P-C4' energy: -93.772 flat angles P-C4'-P energy: -60.466 tors. eta vs tors. theta energy: 14.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2911.259591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.259591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.259591 (E_RNA) where: Base-Base interactions energy: -1998.016 where: short stacking energy: -883.679 Base-Backbone interact. energy: 0.435 local terms energy: -913.678201 where: bonds (distance) C4'-P energy: -178.703 bonds (distance) P-C4' energy: -167.550 flat angles C4'-P-C4' energy: -192.775 flat angles P-C4'-P energy: -109.642 tors. eta vs tors. theta energy: -265.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2813.677887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.677887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.677887 (E_RNA) where: Base-Base interactions energy: -1980.668 where: short stacking energy: -854.163 Base-Backbone interact. energy: 1.999 local terms energy: -835.008316 where: bonds (distance) C4'-P energy: -137.102 bonds (distance) P-C4' energy: -154.194 flat angles C4'-P-C4' energy: -195.625 flat angles P-C4'-P energy: -119.257 tors. eta vs tors. theta energy: -228.830 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: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2570.555971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.555971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.555971 (E_RNA) where: Base-Base interactions energy: -1749.779 where: short stacking energy: -785.015 Base-Backbone interact. energy: 0.096 local terms energy: -820.872780 where: bonds (distance) C4'-P energy: -148.316 bonds (distance) P-C4' energy: -160.948 flat angles C4'-P-C4' energy: -189.114 flat angles P-C4'-P energy: -120.922 tors. eta vs tors. theta energy: -201.573 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: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2554.574215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.574215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.574215 (E_RNA) where: Base-Base interactions energy: -1766.306 where: short stacking energy: -812.396 Base-Backbone interact. energy: 3.589 local terms energy: -791.857216 where: bonds (distance) C4'-P energy: -131.107 bonds (distance) P-C4' energy: -163.310 flat angles C4'-P-C4' energy: -169.170 flat angles P-C4'-P energy: -106.496 tors. eta vs tors. theta energy: -221.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2425.259120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.259120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.259120 (E_RNA) where: Base-Base interactions energy: -1645.010 where: short stacking energy: -735.310 Base-Backbone interact. energy: -5.087 local terms energy: -775.161782 where: bonds (distance) C4'-P energy: -131.469 bonds (distance) P-C4' energy: -171.968 flat angles C4'-P-C4' energy: -178.654 flat angles P-C4'-P energy: -104.510 tors. eta vs tors. theta energy: -188.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2070.465835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.465835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.465835 (E_RNA) where: Base-Base interactions energy: -1429.546 where: short stacking energy: -625.827 Base-Backbone interact. energy: -1.677 local terms energy: -639.242752 where: bonds (distance) C4'-P energy: -127.893 bonds (distance) P-C4' energy: -123.406 flat angles C4'-P-C4' energy: -147.596 flat angles P-C4'-P energy: -91.527 tors. eta vs tors. theta energy: -148.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2024.813154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.813154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.813154 (E_RNA) where: Base-Base interactions energy: -1365.225 where: short stacking energy: -601.633 Base-Backbone interact. energy: 2.767 local terms energy: -662.354383 where: bonds (distance) C4'-P energy: -144.141 bonds (distance) P-C4' energy: -159.644 flat angles C4'-P-C4' energy: -148.942 flat angles P-C4'-P energy: -81.002 tors. eta vs tors. theta energy: -128.625 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: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1867.469176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.469176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.469176 (E_RNA) where: Base-Base interactions energy: -1225.576 where: short stacking energy: -538.715 Base-Backbone interact. energy: 2.177 local terms energy: -644.070648 where: bonds (distance) C4'-P energy: -151.667 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -85.029 tors. eta vs tors. theta energy: -111.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1292.635975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.635975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.635975 (E_RNA) where: Base-Base interactions energy: -748.279 where: short stacking energy: -373.037 Base-Backbone interact. energy: 0.385 local terms energy: -544.742411 where: bonds (distance) C4'-P energy: -132.161 bonds (distance) P-C4' energy: -137.894 flat angles C4'-P-C4' energy: -130.126 flat angles P-C4'-P energy: -96.467 tors. eta vs tors. theta energy: -48.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -826.930584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.930584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.930584 (E_RNA) where: Base-Base interactions energy: -369.855 where: short stacking energy: -216.468 Base-Backbone interact. energy: 4.151 local terms energy: -461.226296 where: bonds (distance) C4'-P energy: -131.367 bonds (distance) P-C4' energy: -150.562 flat angles C4'-P-C4' energy: -114.565 flat angles P-C4'-P energy: -75.504 tors. eta vs tors. theta energy: 10.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2883.614700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.614700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.614700 (E_RNA) where: Base-Base interactions energy: -1958.242 where: short stacking energy: -884.996 Base-Backbone interact. energy: -1.812 local terms energy: -923.560834 where: bonds (distance) C4'-P energy: -167.402 bonds (distance) P-C4' energy: -173.192 flat angles C4'-P-C4' energy: -198.178 flat angles P-C4'-P energy: -135.425 tors. eta vs tors. theta energy: -249.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2796.322553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.322553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.322553 (E_RNA) where: Base-Base interactions energy: -1923.708 where: short stacking energy: -838.394 Base-Backbone interact. energy: -4.091 local terms energy: -868.523488 where: bonds (distance) C4'-P energy: -148.629 bonds (distance) P-C4' energy: -173.356 flat angles C4'-P-C4' energy: -187.449 flat angles P-C4'-P energy: -130.579 tors. eta vs tors. theta energy: -228.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2565.416856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.416856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.416856 (E_RNA) where: Base-Base interactions energy: -1745.385 where: short stacking energy: -746.868 Base-Backbone interact. energy: -2.017 local terms energy: -818.014577 where: bonds (distance) C4'-P energy: -161.221 bonds (distance) P-C4' energy: -164.495 flat angles C4'-P-C4' energy: -178.622 flat angles P-C4'-P energy: -113.821 tors. eta vs tors. theta energy: -199.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2548.263161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.263161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.263161 (E_RNA) where: Base-Base interactions energy: -1712.917 where: short stacking energy: -765.224 Base-Backbone interact. energy: -4.992 local terms energy: -830.353909 where: bonds (distance) C4'-P energy: -157.792 bonds (distance) P-C4' energy: -163.383 flat angles C4'-P-C4' energy: -183.217 flat angles P-C4'-P energy: -109.637 tors. eta vs tors. theta energy: -216.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2333.252540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.252540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.252540 (E_RNA) where: Base-Base interactions energy: -1618.656 where: short stacking energy: -712.303 Base-Backbone interact. energy: -2.680 local terms energy: -711.916431 where: bonds (distance) C4'-P energy: -131.218 bonds (distance) P-C4' energy: -143.165 flat angles C4'-P-C4' energy: -154.713 flat angles P-C4'-P energy: -100.881 tors. eta vs tors. theta energy: -181.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2092.441085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.441085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.441085 (E_RNA) where: Base-Base interactions energy: -1409.845 where: short stacking energy: -606.383 Base-Backbone interact. energy: 2.933 local terms energy: -685.528501 where: bonds (distance) C4'-P energy: -135.251 bonds (distance) P-C4' energy: -145.866 flat angles C4'-P-C4' energy: -168.316 flat angles P-C4'-P energy: -93.318 tors. eta vs tors. theta energy: -142.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2041.983605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.983605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.983605 (E_RNA) where: Base-Base interactions energy: -1364.120 where: short stacking energy: -602.462 Base-Backbone interact. energy: -5.275 local terms energy: -672.588716 where: bonds (distance) C4'-P energy: -135.145 bonds (distance) P-C4' energy: -146.444 flat angles C4'-P-C4' energy: -147.491 flat angles P-C4'-P energy: -97.250 tors. eta vs tors. theta energy: -146.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1836.179934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.179934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.179934 (E_RNA) where: Base-Base interactions energy: -1229.406 where: short stacking energy: -546.546 Base-Backbone interact. energy: -0.675 local terms energy: -606.099575 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -130.049 flat angles C4'-P-C4' energy: -144.999 flat angles P-C4'-P energy: -80.698 tors. eta vs tors. theta energy: -120.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1181.329502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.329502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.329502 (E_RNA) where: Base-Base interactions energy: -666.594 where: short stacking energy: -338.233 Base-Backbone interact. energy: 0.660 local terms energy: -515.394673 where: bonds (distance) C4'-P energy: -136.410 bonds (distance) P-C4' energy: -155.596 flat angles C4'-P-C4' energy: -112.746 flat angles P-C4'-P energy: -77.693 tors. eta vs tors. theta energy: -32.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -801.246485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.246485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.246485 (E_RNA) where: Base-Base interactions energy: -365.882 where: short stacking energy: -243.503 Base-Backbone interact. energy: 6.310 local terms energy: -441.675313 where: bonds (distance) C4'-P energy: -144.990 bonds (distance) P-C4' energy: -143.309 flat angles C4'-P-C4' energy: -122.876 flat angles P-C4'-P energy: -62.117 tors. eta vs tors. theta energy: 31.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2925.975426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.975426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.975426 (E_RNA) where: Base-Base interactions energy: -2028.284 where: short stacking energy: -906.078 Base-Backbone interact. energy: 1.639 local terms energy: -899.329963 where: bonds (distance) C4'-P energy: -152.983 bonds (distance) P-C4' energy: -170.782 flat angles C4'-P-C4' energy: -194.589 flat angles P-C4'-P energy: -125.754 tors. eta vs tors. theta energy: -255.222 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: 134 Temperature: 0.950000 Total energy: -2765.865020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.865020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.865020 (E_RNA) where: Base-Base interactions energy: -1948.289 where: short stacking energy: -822.555 Base-Backbone interact. energy: -0.511 local terms energy: -817.065335 where: bonds (distance) C4'-P energy: -156.652 bonds (distance) P-C4' energy: -157.818 flat angles C4'-P-C4' energy: -162.372 flat angles P-C4'-P energy: -120.358 tors. eta vs tors. theta energy: -219.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2561.424380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.424380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.424380 (E_RNA) where: Base-Base interactions energy: -1751.712 where: short stacking energy: -752.290 Base-Backbone interact. energy: -4.598 local terms energy: -805.114922 where: bonds (distance) C4'-P energy: -152.965 bonds (distance) P-C4' energy: -154.768 flat angles C4'-P-C4' energy: -199.058 flat angles P-C4'-P energy: -95.767 tors. eta vs tors. theta energy: -202.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2496.186519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.186519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.186519 (E_RNA) where: Base-Base interactions energy: -1685.900 where: short stacking energy: -750.601 Base-Backbone interact. energy: -4.309 local terms energy: -805.977501 where: bonds (distance) C4'-P energy: -158.410 bonds (distance) P-C4' energy: -177.393 flat angles C4'-P-C4' energy: -177.636 flat angles P-C4'-P energy: -99.913 tors. eta vs tors. theta energy: -192.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2376.131451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.131451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.131451 (E_RNA) where: Base-Base interactions energy: -1606.327 where: short stacking energy: -691.299 Base-Backbone interact. energy: -1.231 local terms energy: -768.574263 where: bonds (distance) C4'-P energy: -157.763 bonds (distance) P-C4' energy: -155.729 flat angles C4'-P-C4' energy: -171.901 flat angles P-C4'-P energy: -95.462 tors. eta vs tors. theta energy: -187.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2121.203349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.203349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.203349 (E_RNA) where: Base-Base interactions energy: -1451.280 where: short stacking energy: -623.624 Base-Backbone interact. energy: 4.649 local terms energy: -674.572225 where: bonds (distance) C4'-P energy: -131.087 bonds (distance) P-C4' energy: -153.928 flat angles C4'-P-C4' energy: -161.000 flat angles P-C4'-P energy: -101.683 tors. eta vs tors. theta energy: -126.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1999.084597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.084597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.084597 (E_RNA) where: Base-Base interactions energy: -1319.066 where: short stacking energy: -584.927 Base-Backbone interact. energy: -0.752 local terms energy: -679.266558 where: bonds (distance) C4'-P energy: -144.349 bonds (distance) P-C4' energy: -136.715 flat angles C4'-P-C4' energy: -161.648 flat angles P-C4'-P energy: -100.065 tors. eta vs tors. theta energy: -136.490 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: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1859.329949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.329949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.329949 (E_RNA) where: Base-Base interactions energy: -1212.566 where: short stacking energy: -536.631 Base-Backbone interact. energy: -1.399 local terms energy: -645.365056 where: bonds (distance) C4'-P energy: -130.159 bonds (distance) P-C4' energy: -154.878 flat angles C4'-P-C4' energy: -150.954 flat angles P-C4'-P energy: -104.006 tors. eta vs tors. theta energy: -105.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1189.984454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.984454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.984454 (E_RNA) where: Base-Base interactions energy: -695.531 where: short stacking energy: -380.382 Base-Backbone interact. energy: 2.694 local terms energy: -497.147945 where: bonds (distance) C4'-P energy: -135.054 bonds (distance) P-C4' energy: -132.343 flat angles C4'-P-C4' energy: -116.322 flat angles P-C4'-P energy: -77.850 tors. eta vs tors. theta energy: -35.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -816.238651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.238651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.238651 (E_RNA) where: Base-Base interactions energy: -413.287 where: short stacking energy: -247.672 Base-Backbone interact. energy: 5.927 local terms energy: -408.878603 where: bonds (distance) C4'-P energy: -109.677 bonds (distance) P-C4' energy: -128.679 flat angles C4'-P-C4' energy: -119.661 flat angles P-C4'-P energy: -65.528 tors. eta vs tors. theta energy: 14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2924.404790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.404790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.404790 (E_RNA) where: Base-Base interactions energy: -2011.409 where: short stacking energy: -911.226 Base-Backbone interact. energy: 1.401 local terms energy: -914.396915 where: bonds (distance) C4'-P energy: -169.730 bonds (distance) P-C4' energy: -165.498 flat angles C4'-P-C4' energy: -194.520 flat angles P-C4'-P energy: -116.261 tors. eta vs tors. theta energy: -268.388 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: 135 Temperature: 0.950000 Total energy: -2795.490823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.490823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.490823 (E_RNA) where: Base-Base interactions energy: -1961.861 where: short stacking energy: -867.300 Base-Backbone interact. energy: -6.020 local terms energy: -827.610269 where: bonds (distance) C4'-P energy: -146.089 bonds (distance) P-C4' energy: -155.443 flat angles C4'-P-C4' energy: -181.737 flat angles P-C4'-P energy: -110.749 tors. eta vs tors. theta energy: -233.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2540.852674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.852674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.852674 (E_RNA) where: Base-Base interactions energy: -1732.700 where: short stacking energy: -759.479 Base-Backbone interact. energy: -0.393 local terms energy: -807.759959 where: bonds (distance) C4'-P energy: -164.876 bonds (distance) P-C4' energy: -158.250 flat angles C4'-P-C4' energy: -174.149 flat angles P-C4'-P energy: -105.682 tors. eta vs tors. theta energy: -204.803 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: 135 Temperature: 1.050000 Total energy: -2516.994176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.994176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.994176 (E_RNA) where: Base-Base interactions energy: -1707.883 where: short stacking energy: -768.410 Base-Backbone interact. energy: -2.406 local terms energy: -806.705700 where: bonds (distance) C4'-P energy: -157.262 bonds (distance) P-C4' energy: -154.688 flat angles C4'-P-C4' energy: -169.712 flat angles P-C4'-P energy: -116.782 tors. eta vs tors. theta energy: -208.261 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: 5, replica: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2342.724303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.724303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.724303 (E_RNA) where: Base-Base interactions energy: -1577.881 where: short stacking energy: -668.819 Base-Backbone interact. energy: -2.243 local terms energy: -762.600145 where: bonds (distance) C4'-P energy: -162.800 bonds (distance) P-C4' energy: -154.868 flat angles C4'-P-C4' energy: -177.416 flat angles P-C4'-P energy: -95.717 tors. eta vs tors. theta energy: -171.798 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: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2152.987610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.987610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.987610 (E_RNA) where: Base-Base interactions energy: -1426.364 where: short stacking energy: -612.392 Base-Backbone interact. energy: 4.309 local terms energy: -730.932217 where: bonds (distance) C4'-P energy: -160.833 bonds (distance) P-C4' energy: -159.179 flat angles C4'-P-C4' energy: -160.901 flat angles P-C4'-P energy: -104.301 tors. eta vs tors. theta energy: -145.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2000.317342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.317342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.317342 (E_RNA) where: Base-Base interactions energy: -1368.055 where: short stacking energy: -584.696 Base-Backbone interact. energy: -0.478 local terms energy: -631.783771 where: bonds (distance) C4'-P energy: -131.535 bonds (distance) P-C4' energy: -137.665 flat angles C4'-P-C4' energy: -136.433 flat angles P-C4'-P energy: -93.595 tors. eta vs tors. theta energy: -132.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1810.475096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.475096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.475096 (E_RNA) where: Base-Base interactions energy: -1184.741 where: short stacking energy: -516.760 Base-Backbone interact. energy: 0.970 local terms energy: -626.704643 where: bonds (distance) C4'-P energy: -135.682 bonds (distance) P-C4' energy: -130.248 flat angles C4'-P-C4' energy: -151.173 flat angles P-C4'-P energy: -96.707 tors. eta vs tors. theta energy: -112.896 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: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1249.525276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.525276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.525276 (E_RNA) where: Base-Base interactions energy: -745.155 where: short stacking energy: -358.464 Base-Backbone interact. energy: 0.632 local terms energy: -505.002835 where: bonds (distance) C4'-P energy: -107.181 bonds (distance) P-C4' energy: -163.416 flat angles C4'-P-C4' energy: -128.548 flat angles P-C4'-P energy: -68.196 tors. eta vs tors. theta energy: -37.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -837.962615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.962615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.962615 (E_RNA) where: Base-Base interactions energy: -393.695 where: short stacking energy: -253.400 Base-Backbone interact. energy: 1.503 local terms energy: -445.770524 where: bonds (distance) C4'-P energy: -126.946 bonds (distance) P-C4' energy: -144.477 flat angles C4'-P-C4' energy: -104.731 flat angles P-C4'-P energy: -63.502 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2920.856024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.856024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.856024 (E_RNA) where: Base-Base interactions energy: -2020.705 where: short stacking energy: -913.704 Base-Backbone interact. energy: -2.960 local terms energy: -897.190784 where: bonds (distance) C4'-P energy: -158.291 bonds (distance) P-C4' energy: -155.710 flat angles C4'-P-C4' energy: -200.986 flat angles P-C4'-P energy: -108.074 tors. eta vs tors. theta energy: -274.130 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: 136 Temperature: 0.950000 Total energy: -2818.693657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.693657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.693657 (E_RNA) where: Base-Base interactions energy: -1956.411 where: short stacking energy: -845.021 Base-Backbone interact. energy: 2.960 local terms energy: -865.242539 where: bonds (distance) C4'-P energy: -172.150 bonds (distance) P-C4' energy: -167.036 flat angles C4'-P-C4' energy: -170.370 flat angles P-C4'-P energy: -136.002 tors. eta vs tors. theta energy: -219.683 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: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2596.906161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.906161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.906161 (E_RNA) where: Base-Base interactions energy: -1779.860 where: short stacking energy: -766.043 Base-Backbone interact. energy: -3.966 local terms energy: -813.080763 where: bonds (distance) C4'-P energy: -160.441 bonds (distance) P-C4' energy: -172.081 flat angles C4'-P-C4' energy: -177.800 flat angles P-C4'-P energy: -99.869 tors. eta vs tors. theta energy: -202.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2484.584899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.584899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.584899 (E_RNA) where: Base-Base interactions energy: -1674.628 where: short stacking energy: -714.882 Base-Backbone interact. energy: -1.503 local terms energy: -808.454350 where: bonds (distance) C4'-P energy: -165.655 bonds (distance) P-C4' energy: -166.630 flat angles C4'-P-C4' energy: -176.312 flat angles P-C4'-P energy: -108.200 tors. eta vs tors. theta energy: -191.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2383.983405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.983405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.983405 (E_RNA) where: Base-Base interactions energy: -1603.550 where: short stacking energy: -710.137 Base-Backbone interact. energy: -3.244 local terms energy: -777.189324 where: bonds (distance) C4'-P energy: -154.761 bonds (distance) P-C4' energy: -143.355 flat angles C4'-P-C4' energy: -178.573 flat angles P-C4'-P energy: -108.617 tors. eta vs tors. theta energy: -191.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2080.070824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.070824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.070824 (E_RNA) where: Base-Base interactions energy: -1389.310 where: short stacking energy: -605.407 Base-Backbone interact. energy: -0.276 local terms energy: -690.485445 where: bonds (distance) C4'-P energy: -153.871 bonds (distance) P-C4' energy: -155.404 flat angles C4'-P-C4' energy: -159.644 flat angles P-C4'-P energy: -91.316 tors. eta vs tors. theta energy: -130.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1937.633707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.633707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.633707 (E_RNA) where: Base-Base interactions energy: -1329.806 where: short stacking energy: -572.758 Base-Backbone interact. energy: -2.554 local terms energy: -605.274523 where: bonds (distance) C4'-P energy: -123.456 bonds (distance) P-C4' energy: -138.072 flat angles C4'-P-C4' energy: -143.316 flat angles P-C4'-P energy: -87.209 tors. eta vs tors. theta energy: -113.221 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: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1790.013559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.013559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.013559 (E_RNA) where: Base-Base interactions energy: -1194.673 where: short stacking energy: -517.069 Base-Backbone interact. energy: 6.374 local terms energy: -601.714927 where: bonds (distance) C4'-P energy: -121.470 bonds (distance) P-C4' energy: -146.040 flat angles C4'-P-C4' energy: -146.581 flat angles P-C4'-P energy: -87.079 tors. eta vs tors. theta energy: -100.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1145.699204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.699204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.699204 (E_RNA) where: Base-Base interactions energy: -637.689 where: short stacking energy: -333.556 Base-Backbone interact. energy: -3.325 local terms energy: -504.685612 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -147.017 flat angles C4'-P-C4' energy: -114.806 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -36.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -880.930347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.930347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.930347 (E_RNA) where: Base-Base interactions energy: -430.517 where: short stacking energy: -251.249 Base-Backbone interact. energy: 1.527 local terms energy: -451.940173 where: bonds (distance) C4'-P energy: -119.473 bonds (distance) P-C4' energy: -149.660 flat angles C4'-P-C4' energy: -115.898 flat angles P-C4'-P energy: -74.721 tors. eta vs tors. theta energy: 7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2936.531400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.531400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.531400 (E_RNA) where: Base-Base interactions energy: -2002.606 where: short stacking energy: -890.396 Base-Backbone interact. energy: -0.617 local terms energy: -933.308574 where: bonds (distance) C4'-P energy: -188.161 bonds (distance) P-C4' energy: -176.389 flat angles C4'-P-C4' energy: -196.680 flat angles P-C4'-P energy: -108.476 tors. eta vs tors. theta energy: -263.603 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: 137 Temperature: 0.950000 Total energy: -2822.835080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.835080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.835080 (E_RNA) where: Base-Base interactions energy: -1940.613 where: short stacking energy: -848.187 Base-Backbone interact. energy: -3.870 local terms energy: -878.351921 where: bonds (distance) C4'-P energy: -165.749 bonds (distance) P-C4' energy: -164.034 flat angles C4'-P-C4' energy: -186.756 flat angles P-C4'-P energy: -125.436 tors. eta vs tors. theta energy: -236.377 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: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2626.221537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.221537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.221537 (E_RNA) where: Base-Base interactions energy: -1813.610 where: short stacking energy: -779.291 Base-Backbone interact. energy: -8.054 local terms energy: -804.557527 where: bonds (distance) C4'-P energy: -129.505 bonds (distance) P-C4' energy: -158.585 flat angles C4'-P-C4' energy: -169.301 flat angles P-C4'-P energy: -119.269 tors. eta vs tors. theta energy: -227.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2484.603583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.603583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.603583 (E_RNA) where: Base-Base interactions energy: -1693.594 where: short stacking energy: -730.216 Base-Backbone interact. energy: -2.039 local terms energy: -788.970731 where: bonds (distance) C4'-P energy: -145.263 bonds (distance) P-C4' energy: -157.974 flat angles C4'-P-C4' energy: -177.667 flat angles P-C4'-P energy: -115.757 tors. eta vs tors. theta energy: -192.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2279.829731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.829731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.829731 (E_RNA) where: Base-Base interactions energy: -1564.583 where: short stacking energy: -673.804 Base-Backbone interact. energy: 7.457 local terms energy: -722.703765 where: bonds (distance) C4'-P energy: -163.501 bonds (distance) P-C4' energy: -133.149 flat angles C4'-P-C4' energy: -155.745 flat angles P-C4'-P energy: -104.508 tors. eta vs tors. theta energy: -165.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2049.998554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.998554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.998554 (E_RNA) where: Base-Base interactions energy: -1346.829 where: short stacking energy: -585.201 Base-Backbone interact. energy: -3.412 local terms energy: -699.757361 where: bonds (distance) C4'-P energy: -160.727 bonds (distance) P-C4' energy: -148.550 flat angles C4'-P-C4' energy: -146.181 flat angles P-C4'-P energy: -101.299 tors. eta vs tors. theta energy: -143.001 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: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2090.744928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.744928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.744928 (E_RNA) where: Base-Base interactions energy: -1428.678 where: short stacking energy: -639.936 Base-Backbone interact. energy: 0.275 local terms energy: -662.341659 where: bonds (distance) C4'-P energy: -132.165 bonds (distance) P-C4' energy: -145.966 flat angles C4'-P-C4' energy: -149.132 flat angles P-C4'-P energy: -86.386 tors. eta vs tors. theta energy: -148.693 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: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1867.197422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.197422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.197422 (E_RNA) where: Base-Base interactions energy: -1225.278 where: short stacking energy: -563.036 Base-Backbone interact. energy: -1.300 local terms energy: -640.619504 where: bonds (distance) C4'-P energy: -139.765 bonds (distance) P-C4' energy: -142.694 flat angles C4'-P-C4' energy: -144.548 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -109.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1139.008248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.008248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.008248 (E_RNA) where: Base-Base interactions energy: -651.349 where: short stacking energy: -340.815 Base-Backbone interact. energy: -0.777 local terms energy: -486.882221 where: bonds (distance) C4'-P energy: -138.164 bonds (distance) P-C4' energy: -145.509 flat angles C4'-P-C4' energy: -110.975 flat angles P-C4'-P energy: -66.756 tors. eta vs tors. theta energy: -25.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -874.841775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.841775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.841775 (E_RNA) where: Base-Base interactions energy: -423.066 where: short stacking energy: -258.541 Base-Backbone interact. energy: 0.010 local terms energy: -451.785835 where: bonds (distance) C4'-P energy: -114.475 bonds (distance) P-C4' energy: -142.031 flat angles C4'-P-C4' energy: -121.998 flat angles P-C4'-P energy: -78.208 tors. eta vs tors. theta energy: 4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2912.511679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.511679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.511679 (E_RNA) where: Base-Base interactions energy: -2003.634 where: short stacking energy: -906.859 Base-Backbone interact. energy: 2.216 local terms energy: -911.094112 where: bonds (distance) C4'-P energy: -170.009 bonds (distance) P-C4' energy: -165.408 flat angles C4'-P-C4' energy: -187.612 flat angles P-C4'-P energy: -128.208 tors. eta vs tors. theta energy: -259.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2802.692749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.692749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.692749 (E_RNA) where: Base-Base interactions energy: -1937.218 where: short stacking energy: -864.364 Base-Backbone interact. energy: -1.858 local terms energy: -863.616697 where: bonds (distance) C4'-P energy: -147.268 bonds (distance) P-C4' energy: -180.914 flat angles C4'-P-C4' energy: -180.744 flat angles P-C4'-P energy: -123.774 tors. eta vs tors. theta energy: -230.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2604.760683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.760683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.760683 (E_RNA) where: Base-Base interactions energy: -1777.091 where: short stacking energy: -775.107 Base-Backbone interact. energy: 2.492 local terms energy: -830.162243 where: bonds (distance) C4'-P energy: -171.581 bonds (distance) P-C4' energy: -149.051 flat angles C4'-P-C4' energy: -174.384 flat angles P-C4'-P energy: -136.195 tors. eta vs tors. theta energy: -198.951 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: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2462.425267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.425267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.425267 (E_RNA) where: Base-Base interactions energy: -1694.921 where: short stacking energy: -731.892 Base-Backbone interact. energy: 4.353 local terms energy: -771.857507 where: bonds (distance) C4'-P energy: -136.158 bonds (distance) P-C4' energy: -141.572 flat angles C4'-P-C4' energy: -175.391 flat angles P-C4'-P energy: -111.247 tors. eta vs tors. theta energy: -207.489 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: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2384.761701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.761701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.761701 (E_RNA) where: Base-Base interactions energy: -1621.625 where: short stacking energy: -666.245 Base-Backbone interact. energy: -6.629 local terms energy: -756.508189 where: bonds (distance) C4'-P energy: -152.875 bonds (distance) P-C4' energy: -167.672 flat angles C4'-P-C4' energy: -154.135 flat angles P-C4'-P energy: -103.848 tors. eta vs tors. theta energy: -177.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2044.150275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.150275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.150275 (E_RNA) where: Base-Base interactions energy: -1336.662 where: short stacking energy: -592.416 Base-Backbone interact. energy: -2.207 local terms energy: -705.281535 where: bonds (distance) C4'-P energy: -158.677 bonds (distance) P-C4' energy: -143.844 flat angles C4'-P-C4' energy: -165.716 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -141.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2052.581549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.581549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.581549 (E_RNA) where: Base-Base interactions energy: -1376.941 where: short stacking energy: -607.017 Base-Backbone interact. energy: -0.887 local terms energy: -674.753354 where: bonds (distance) C4'-P energy: -138.536 bonds (distance) P-C4' energy: -132.051 flat angles C4'-P-C4' energy: -154.529 flat angles P-C4'-P energy: -105.539 tors. eta vs tors. theta energy: -144.099 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: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1809.827433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.827433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.827433 (E_RNA) where: Base-Base interactions energy: -1168.572 where: short stacking energy: -538.855 Base-Backbone interact. energy: -3.950 local terms energy: -637.306060 where: bonds (distance) C4'-P energy: -136.594 bonds (distance) P-C4' energy: -150.246 flat angles C4'-P-C4' energy: -130.108 flat angles P-C4'-P energy: -103.282 tors. eta vs tors. theta energy: -117.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1124.454198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.454198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.454198 (E_RNA) where: Base-Base interactions energy: -642.442 where: short stacking energy: -333.708 Base-Backbone interact. energy: 8.819 local terms energy: -490.831264 where: bonds (distance) C4'-P energy: -146.332 bonds (distance) P-C4' energy: -137.524 flat angles C4'-P-C4' energy: -131.868 flat angles P-C4'-P energy: -48.856 tors. eta vs tors. theta energy: -26.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -918.105369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.105369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.105369 (E_RNA) where: Base-Base interactions energy: -430.388 where: short stacking energy: -247.386 Base-Backbone interact. energy: 3.969 local terms energy: -491.686771 where: bonds (distance) C4'-P energy: -146.178 bonds (distance) P-C4' energy: -143.424 flat angles C4'-P-C4' energy: -139.032 flat angles P-C4'-P energy: -66.869 tors. eta vs tors. theta energy: 3.816 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: 2 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2964.193950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.193950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.193950 (E_RNA) where: Base-Base interactions energy: -2020.840 where: short stacking energy: -917.513 Base-Backbone interact. energy: -0.846 local terms energy: -942.508210 where: bonds (distance) C4'-P energy: -178.970 bonds (distance) P-C4' energy: -183.531 flat angles C4'-P-C4' energy: -196.726 flat angles P-C4'-P energy: -124.411 tors. eta vs tors. theta energy: -258.870 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: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2822.407460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.407460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.407460 (E_RNA) where: Base-Base interactions energy: -1929.282 where: short stacking energy: -824.729 Base-Backbone interact. energy: -5.875 local terms energy: -887.250218 where: bonds (distance) C4'-P energy: -165.699 bonds (distance) P-C4' energy: -181.290 flat angles C4'-P-C4' energy: -194.220 flat angles P-C4'-P energy: -125.477 tors. eta vs tors. theta energy: -220.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2617.265850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.265850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.265850 (E_RNA) where: Base-Base interactions energy: -1792.677 where: short stacking energy: -789.327 Base-Backbone interact. energy: 3.635 local terms energy: -828.223693 where: bonds (distance) C4'-P energy: -158.297 bonds (distance) P-C4' energy: -158.839 flat angles C4'-P-C4' energy: -180.199 flat angles P-C4'-P energy: -114.540 tors. eta vs tors. theta energy: -216.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2465.352049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.352049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.352049 (E_RNA) where: Base-Base interactions energy: -1700.667 where: short stacking energy: -728.456 Base-Backbone interact. energy: -2.418 local terms energy: -762.267433 where: bonds (distance) C4'-P energy: -157.121 bonds (distance) P-C4' energy: -151.692 flat angles C4'-P-C4' energy: -179.623 flat angles P-C4'-P energy: -101.692 tors. eta vs tors. theta energy: -172.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2377.448428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.448428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.448428 (E_RNA) where: Base-Base interactions energy: -1608.138 where: short stacking energy: -717.948 Base-Backbone interact. energy: -2.205 local terms energy: -767.105109 where: bonds (distance) C4'-P energy: -151.170 bonds (distance) P-C4' energy: -151.050 flat angles C4'-P-C4' energy: -179.472 flat angles P-C4'-P energy: -100.505 tors. eta vs tors. theta energy: -184.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2169.469065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.469065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.469065 (E_RNA) where: Base-Base interactions energy: -1466.474 where: short stacking energy: -618.859 Base-Backbone interact. energy: -2.204 local terms energy: -700.790844 where: bonds (distance) C4'-P energy: -120.231 bonds (distance) P-C4' energy: -160.522 flat angles C4'-P-C4' energy: -142.217 flat angles P-C4'-P energy: -120.156 tors. eta vs tors. theta energy: -157.666 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: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -2005.692753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.692753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.692753 (E_RNA) where: Base-Base interactions energy: -1344.879 where: short stacking energy: -588.664 Base-Backbone interact. energy: 4.072 local terms energy: -664.886206 where: bonds (distance) C4'-P energy: -125.017 bonds (distance) P-C4' energy: -161.271 flat angles C4'-P-C4' energy: -157.023 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -133.381 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: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1751.420157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.420157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.420157 (E_RNA) where: Base-Base interactions energy: -1138.885 where: short stacking energy: -520.397 Base-Backbone interact. energy: 3.887 local terms energy: -616.422517 where: bonds (distance) C4'-P energy: -139.871 bonds (distance) P-C4' energy: -151.296 flat angles C4'-P-C4' energy: -139.824 flat angles P-C4'-P energy: -86.297 tors. eta vs tors. theta energy: -99.135 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: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1133.990874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.990874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.990874 (E_RNA) where: Base-Base interactions energy: -668.657 where: short stacking energy: -381.078 Base-Backbone interact. energy: 4.151 local terms energy: -469.484437 where: bonds (distance) C4'-P energy: -112.347 bonds (distance) P-C4' energy: -133.372 flat angles C4'-P-C4' energy: -109.073 flat angles P-C4'-P energy: -71.659 tors. eta vs tors. theta energy: -43.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -849.760405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.760405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.760405 (E_RNA) where: Base-Base interactions energy: -398.838 where: short stacking energy: -244.756 Base-Backbone interact. energy: -2.514 local terms energy: -448.408321 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -145.009 flat angles C4'-P-C4' energy: -111.991 flat angles P-C4'-P energy: -69.268 tors. eta vs tors. theta energy: 8.442 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: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2947.672527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.672527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.672527 (E_RNA) where: Base-Base interactions energy: -1985.397 where: short stacking energy: -916.524 Base-Backbone interact. energy: 1.215 local terms energy: -963.490092 where: bonds (distance) C4'-P energy: -181.162 bonds (distance) P-C4' energy: -180.293 flat angles C4'-P-C4' energy: -203.383 flat angles P-C4'-P energy: -131.465 tors. eta vs tors. theta energy: -267.186 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: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2821.094388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.094388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.094388 (E_RNA) where: Base-Base interactions energy: -1946.118 where: short stacking energy: -870.176 Base-Backbone interact. energy: -4.668 local terms energy: -870.307954 where: bonds (distance) C4'-P energy: -155.588 bonds (distance) P-C4' energy: -163.582 flat angles C4'-P-C4' energy: -196.142 flat angles P-C4'-P energy: -121.271 tors. eta vs tors. theta energy: -233.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2637.037518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.037518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.037518 (E_RNA) where: Base-Base interactions energy: -1805.262 where: short stacking energy: -795.272 Base-Backbone interact. energy: -3.207 local terms energy: -828.568132 where: bonds (distance) C4'-P energy: -148.640 bonds (distance) P-C4' energy: -160.822 flat angles C4'-P-C4' energy: -171.489 flat angles P-C4'-P energy: -127.444 tors. eta vs tors. theta energy: -220.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2391.080963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.080963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.080963 (E_RNA) where: Base-Base interactions energy: -1620.961 where: short stacking energy: -704.984 Base-Backbone interact. energy: -3.380 local terms energy: -766.740882 where: bonds (distance) C4'-P energy: -147.504 bonds (distance) P-C4' energy: -164.453 flat angles C4'-P-C4' energy: -164.745 flat angles P-C4'-P energy: -110.862 tors. eta vs tors. theta energy: -179.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2368.601868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.601868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.601868 (E_RNA) where: Base-Base interactions energy: -1629.186 where: short stacking energy: -692.282 Base-Backbone interact. energy: 0.926 local terms energy: -740.342309 where: bonds (distance) C4'-P energy: -147.894 bonds (distance) P-C4' energy: -142.570 flat angles C4'-P-C4' energy: -163.347 flat angles P-C4'-P energy: -108.132 tors. eta vs tors. theta energy: -178.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2170.779704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.779704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.779704 (E_RNA) where: Base-Base interactions energy: -1436.893 where: short stacking energy: -642.500 Base-Backbone interact. energy: 3.177 local terms energy: -737.063600 where: bonds (distance) C4'-P energy: -160.607 bonds (distance) P-C4' energy: -149.821 flat angles C4'-P-C4' energy: -167.494 flat angles P-C4'-P energy: -105.756 tors. eta vs tors. theta energy: -153.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2001.630850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.630850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.630850 (E_RNA) where: Base-Base interactions energy: -1344.492 where: short stacking energy: -583.307 Base-Backbone interact. energy: 2.064 local terms energy: -659.203344 where: bonds (distance) C4'-P energy: -139.182 bonds (distance) P-C4' energy: -145.859 flat angles C4'-P-C4' energy: -146.696 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -127.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1749.007330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.007330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.007330 (E_RNA) where: Base-Base interactions energy: -1139.453 where: short stacking energy: -524.430 Base-Backbone interact. energy: -0.891 local terms energy: -608.663219 where: bonds (distance) C4'-P energy: -116.111 bonds (distance) P-C4' energy: -157.392 flat angles C4'-P-C4' energy: -149.811 flat angles P-C4'-P energy: -91.012 tors. eta vs tors. theta energy: -94.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1132.122317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.122317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.122317 (E_RNA) where: Base-Base interactions energy: -632.097 where: short stacking energy: -331.683 Base-Backbone interact. energy: -2.758 local terms energy: -497.267722 where: bonds (distance) C4'-P energy: -127.719 bonds (distance) P-C4' energy: -124.464 flat angles C4'-P-C4' energy: -127.978 flat angles P-C4'-P energy: -81.724 tors. eta vs tors. theta energy: -35.384 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: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -862.692777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.692777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.692777 (E_RNA) where: Base-Base interactions energy: -402.605 where: short stacking energy: -248.471 Base-Backbone interact. energy: 5.157 local terms energy: -465.244016 where: bonds (distance) C4'-P energy: -146.664 bonds (distance) P-C4' energy: -136.199 flat angles C4'-P-C4' energy: -121.689 flat angles P-C4'-P energy: -62.995 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: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2959.219519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.219519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.219519 (E_RNA) where: Base-Base interactions energy: -2047.739 where: short stacking energy: -930.676 Base-Backbone interact. energy: 5.482 local terms energy: -916.963019 where: bonds (distance) C4'-P energy: -166.824 bonds (distance) P-C4' energy: -164.335 flat angles C4'-P-C4' energy: -207.219 flat angles P-C4'-P energy: -115.225 tors. eta vs tors. theta energy: -263.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2812.133125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.133125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.133125 (E_RNA) where: Base-Base interactions energy: -1920.067 where: short stacking energy: -828.171 Base-Backbone interact. energy: -3.490 local terms energy: -888.575345 where: bonds (distance) C4'-P energy: -176.904 bonds (distance) P-C4' energy: -165.532 flat angles C4'-P-C4' energy: -188.235 flat angles P-C4'-P energy: -128.806 tors. eta vs tors. theta energy: -229.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2625.926635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.926635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.926635 (E_RNA) where: Base-Base interactions energy: -1796.783 where: short stacking energy: -771.049 Base-Backbone interact. energy: -3.306 local terms energy: -825.837431 where: bonds (distance) C4'-P energy: -146.269 bonds (distance) P-C4' energy: -164.314 flat angles C4'-P-C4' energy: -186.063 flat angles P-C4'-P energy: -120.562 tors. eta vs tors. theta energy: -208.628 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: 4, replica: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2464.748291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.748291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.748291 (E_RNA) where: Base-Base interactions energy: -1654.426 where: short stacking energy: -731.473 Base-Backbone interact. energy: -3.547 local terms energy: -806.774580 where: bonds (distance) C4'-P energy: -131.490 bonds (distance) P-C4' energy: -174.888 flat angles C4'-P-C4' energy: -187.640 flat angles P-C4'-P energy: -124.672 tors. eta vs tors. theta energy: -188.084 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: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2306.371130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.371130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.371130 (E_RNA) where: Base-Base interactions energy: -1566.336 where: short stacking energy: -672.459 Base-Backbone interact. energy: -3.748 local terms energy: -736.287444 where: bonds (distance) C4'-P energy: -168.455 bonds (distance) P-C4' energy: -145.311 flat angles C4'-P-C4' energy: -155.667 flat angles P-C4'-P energy: -103.884 tors. eta vs tors. theta energy: -162.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2147.773510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.773510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.773510 (E_RNA) where: Base-Base interactions energy: -1458.138 where: short stacking energy: -626.230 Base-Backbone interact. energy: -0.598 local terms energy: -689.037188 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -166.419 flat angles P-C4'-P energy: -107.717 tors. eta vs tors. theta energy: -133.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2020.223664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.223664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.223664 (E_RNA) where: Base-Base interactions energy: -1368.460 where: short stacking energy: -585.366 Base-Backbone interact. energy: 0.121 local terms energy: -651.884452 where: bonds (distance) C4'-P energy: -129.483 bonds (distance) P-C4' energy: -169.473 flat angles C4'-P-C4' energy: -151.282 flat angles P-C4'-P energy: -87.540 tors. eta vs tors. theta energy: -114.107 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: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1685.770125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.770125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.770125 (E_RNA) where: Base-Base interactions energy: -1055.978 where: short stacking energy: -487.623 Base-Backbone interact. energy: -1.793 local terms energy: -627.999296 where: bonds (distance) C4'-P energy: -132.894 bonds (distance) P-C4' energy: -144.546 flat angles C4'-P-C4' energy: -146.217 flat angles P-C4'-P energy: -109.058 tors. eta vs tors. theta energy: -95.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1131.012684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.012684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.012684 (E_RNA) where: Base-Base interactions energy: -632.687 where: short stacking energy: -318.349 Base-Backbone interact. energy: 12.374 local terms energy: -510.700204 where: bonds (distance) C4'-P energy: -124.745 bonds (distance) P-C4' energy: -155.466 flat angles C4'-P-C4' energy: -122.472 flat angles P-C4'-P energy: -82.696 tors. eta vs tors. theta energy: -25.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -877.126291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.126291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.126291 (E_RNA) where: Base-Base interactions energy: -444.170 where: short stacking energy: -288.560 Base-Backbone interact. energy: 6.475 local terms energy: -439.430819 where: bonds (distance) C4'-P energy: -130.274 bonds (distance) P-C4' energy: -123.661 flat angles C4'-P-C4' energy: -132.915 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: 0.158 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: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2946.427259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.427259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.427259 (E_RNA) where: Base-Base interactions energy: -2023.476 where: short stacking energy: -923.213 Base-Backbone interact. energy: 3.764 local terms energy: -926.714642 where: bonds (distance) C4'-P energy: -151.919 bonds (distance) P-C4' energy: -183.214 flat angles C4'-P-C4' energy: -196.445 flat angles P-C4'-P energy: -126.672 tors. eta vs tors. theta energy: -268.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2815.438990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.438990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.438990 (E_RNA) where: Base-Base interactions energy: -1945.489 where: short stacking energy: -849.175 Base-Backbone interact. energy: -0.142 local terms energy: -869.808139 where: bonds (distance) C4'-P energy: -157.849 bonds (distance) P-C4' energy: -161.177 flat angles C4'-P-C4' energy: -188.720 flat angles P-C4'-P energy: -124.393 tors. eta vs tors. theta energy: -237.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2586.033165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.033165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.033165 (E_RNA) where: Base-Base interactions energy: -1766.840 where: short stacking energy: -764.822 Base-Backbone interact. energy: -3.800 local terms energy: -815.393952 where: bonds (distance) C4'-P energy: -152.065 bonds (distance) P-C4' energy: -156.490 flat angles C4'-P-C4' energy: -176.056 flat angles P-C4'-P energy: -120.353 tors. eta vs tors. theta energy: -210.430 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: 4, replica: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2476.131489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.131489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.131489 (E_RNA) where: Base-Base interactions energy: -1660.368 where: short stacking energy: -719.485 Base-Backbone interact. energy: -2.123 local terms energy: -813.640152 where: bonds (distance) C4'-P energy: -153.028 bonds (distance) P-C4' energy: -147.230 flat angles C4'-P-C4' energy: -182.480 flat angles P-C4'-P energy: -127.327 tors. eta vs tors. theta energy: -203.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2355.436806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.436806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.436806 (E_RNA) where: Base-Base interactions energy: -1602.478 where: short stacking energy: -668.639 Base-Backbone interact. energy: -4.472 local terms energy: -748.486381 where: bonds (distance) C4'-P energy: -160.110 bonds (distance) P-C4' energy: -147.445 flat angles C4'-P-C4' energy: -157.799 flat angles P-C4'-P energy: -101.249 tors. eta vs tors. theta energy: -181.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2159.501564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.501564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.501564 (E_RNA) where: Base-Base interactions energy: -1461.671 where: short stacking energy: -621.813 Base-Backbone interact. energy: 1.495 local terms energy: -699.325473 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -146.389 flat angles P-C4'-P energy: -92.334 tors. eta vs tors. theta energy: -157.660 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: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2002.260696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.260696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.260696 (E_RNA) where: Base-Base interactions energy: -1361.891 where: short stacking energy: -543.588 Base-Backbone interact. energy: 2.007 local terms energy: -642.377018 where: bonds (distance) C4'-P energy: -132.331 bonds (distance) P-C4' energy: -148.751 flat angles C4'-P-C4' energy: -149.472 flat angles P-C4'-P energy: -94.950 tors. eta vs tors. theta energy: -116.873 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: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1735.587026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.587026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.587026 (E_RNA) where: Base-Base interactions energy: -1187.490 where: short stacking energy: -532.946 Base-Backbone interact. energy: 5.397 local terms energy: -553.493687 where: bonds (distance) C4'-P energy: -108.925 bonds (distance) P-C4' energy: -128.392 flat angles C4'-P-C4' energy: -143.795 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -92.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1180.883151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.883151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.883151 (E_RNA) where: Base-Base interactions energy: -716.155 where: short stacking energy: -335.137 Base-Backbone interact. energy: -4.245 local terms energy: -460.483535 where: bonds (distance) C4'-P energy: -111.407 bonds (distance) P-C4' energy: -148.900 flat angles C4'-P-C4' energy: -99.828 flat angles P-C4'-P energy: -65.355 tors. eta vs tors. theta energy: -34.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -874.459828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.459828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.459828 (E_RNA) where: Base-Base interactions energy: -399.061 where: short stacking energy: -225.184 Base-Backbone interact. energy: 3.188 local terms energy: -478.587493 where: bonds (distance) C4'-P energy: -143.143 bonds (distance) P-C4' energy: -135.602 flat angles C4'-P-C4' energy: -126.677 flat angles P-C4'-P energy: -81.769 tors. eta vs tors. theta energy: 8.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2944.183508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.183508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.183508 (E_RNA) where: Base-Base interactions energy: -2031.313 where: short stacking energy: -917.874 Base-Backbone interact. energy: -0.670 local terms energy: -912.200897 where: bonds (distance) C4'-P energy: -165.837 bonds (distance) P-C4' energy: -177.135 flat angles C4'-P-C4' energy: -190.198 flat angles P-C4'-P energy: -132.184 tors. eta vs tors. theta energy: -246.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2840.224148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.224148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.224148 (E_RNA) where: Base-Base interactions energy: -1949.776 where: short stacking energy: -859.997 Base-Backbone interact. energy: 3.572 local terms energy: -894.020936 where: bonds (distance) C4'-P energy: -163.710 bonds (distance) P-C4' energy: -164.191 flat angles C4'-P-C4' energy: -198.653 flat angles P-C4'-P energy: -130.815 tors. eta vs tors. theta energy: -236.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2638.045521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.045521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.045521 (E_RNA) where: Base-Base interactions energy: -1800.020 where: short stacking energy: -793.347 Base-Backbone interact. energy: 2.844 local terms energy: -840.869469 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -174.318 flat angles C4'-P-C4' energy: -178.634 flat angles P-C4'-P energy: -123.442 tors. eta vs tors. theta energy: -215.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2507.153608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.153608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.153608 (E_RNA) where: Base-Base interactions energy: -1738.560 where: short stacking energy: -744.195 Base-Backbone interact. energy: 0.000 local terms energy: -768.594141 where: bonds (distance) C4'-P energy: -121.917 bonds (distance) P-C4' energy: -167.739 flat angles C4'-P-C4' energy: -178.879 flat angles P-C4'-P energy: -107.071 tors. eta vs tors. theta energy: -192.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2448.967847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.967847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.967847 (E_RNA) where: Base-Base interactions energy: -1645.902 where: short stacking energy: -701.440 Base-Backbone interact. energy: 2.419 local terms energy: -805.485491 where: bonds (distance) C4'-P energy: -152.448 bonds (distance) P-C4' energy: -171.061 flat angles C4'-P-C4' energy: -178.160 flat angles P-C4'-P energy: -129.811 tors. eta vs tors. theta energy: -174.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2175.976149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.976149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.976149 (E_RNA) where: Base-Base interactions energy: -1486.452 where: short stacking energy: -648.579 Base-Backbone interact. energy: -0.986 local terms energy: -688.538523 where: bonds (distance) C4'-P energy: -145.785 bonds (distance) P-C4' energy: -150.939 flat angles C4'-P-C4' energy: -148.406 flat angles P-C4'-P energy: -86.252 tors. eta vs tors. theta energy: -157.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1968.070170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.070170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.070170 (E_RNA) where: Base-Base interactions energy: -1319.030 where: short stacking energy: -552.735 Base-Backbone interact. energy: 4.567 local terms energy: -653.607469 where: bonds (distance) C4'-P energy: -131.912 bonds (distance) P-C4' energy: -150.764 flat angles C4'-P-C4' energy: -153.213 flat angles P-C4'-P energy: -88.394 tors. eta vs tors. theta energy: -129.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1843.070672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.070672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.070672 (E_RNA) where: Base-Base interactions energy: -1187.378 where: short stacking energy: -567.372 Base-Backbone interact. energy: 4.220 local terms energy: -659.912460 where: bonds (distance) C4'-P energy: -142.457 bonds (distance) P-C4' energy: -146.655 flat angles C4'-P-C4' energy: -143.871 flat angles P-C4'-P energy: -98.755 tors. eta vs tors. theta energy: -128.176 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: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1256.791193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.791193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.791193 (E_RNA) where: Base-Base interactions energy: -711.424 where: short stacking energy: -363.955 Base-Backbone interact. energy: 8.448 local terms energy: -553.814784 where: bonds (distance) C4'-P energy: -123.402 bonds (distance) P-C4' energy: -144.356 flat angles C4'-P-C4' energy: -140.256 flat angles P-C4'-P energy: -89.488 tors. eta vs tors. theta energy: -56.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -883.796376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.796376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.796376 (E_RNA) where: Base-Base interactions energy: -420.291 where: short stacking energy: -266.317 Base-Backbone interact. energy: 3.527 local terms energy: -467.032100 where: bonds (distance) C4'-P energy: -139.805 bonds (distance) P-C4' energy: -146.839 flat angles C4'-P-C4' energy: -115.220 flat angles P-C4'-P energy: -59.968 tors. eta vs tors. theta energy: -5.200 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: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2944.337015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.337015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.337015 (E_RNA) where: Base-Base interactions energy: -2018.180 where: short stacking energy: -885.652 Base-Backbone interact. energy: -0.074 local terms energy: -926.082606 where: bonds (distance) C4'-P energy: -171.950 bonds (distance) P-C4' energy: -167.795 flat angles C4'-P-C4' energy: -197.008 flat angles P-C4'-P energy: -136.598 tors. eta vs tors. theta energy: -252.732 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: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2844.053519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.053519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.053519 (E_RNA) where: Base-Base interactions energy: -1970.210 where: short stacking energy: -856.095 Base-Backbone interact. energy: -4.655 local terms energy: -869.189175 where: bonds (distance) C4'-P energy: -168.779 bonds (distance) P-C4' energy: -162.103 flat angles C4'-P-C4' energy: -193.360 flat angles P-C4'-P energy: -117.940 tors. eta vs tors. theta energy: -227.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2646.773486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.773486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.773486 (E_RNA) where: Base-Base interactions energy: -1805.527 where: short stacking energy: -809.675 Base-Backbone interact. energy: -2.005 local terms energy: -839.242155 where: bonds (distance) C4'-P energy: -163.197 bonds (distance) P-C4' energy: -153.348 flat angles C4'-P-C4' energy: -188.064 flat angles P-C4'-P energy: -112.192 tors. eta vs tors. theta energy: -222.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2507.519823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.519823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.519823 (E_RNA) where: Base-Base interactions energy: -1741.433 where: short stacking energy: -793.175 Base-Backbone interact. energy: 2.388 local terms energy: -768.474261 where: bonds (distance) C4'-P energy: -140.357 bonds (distance) P-C4' energy: -140.234 flat angles C4'-P-C4' energy: -167.721 flat angles P-C4'-P energy: -107.402 tors. eta vs tors. theta energy: -212.760 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: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2430.313052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.313052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.313052 (E_RNA) where: Base-Base interactions energy: -1655.031 where: short stacking energy: -722.212 Base-Backbone interact. energy: 0.552 local terms energy: -775.833367 where: bonds (distance) C4'-P energy: -163.292 bonds (distance) P-C4' energy: -149.333 flat angles C4'-P-C4' energy: -181.025 flat angles P-C4'-P energy: -107.930 tors. eta vs tors. theta energy: -174.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2191.465221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.465221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.465221 (E_RNA) where: Base-Base interactions energy: -1531.887 where: short stacking energy: -636.642 Base-Backbone interact. energy: -4.147 local terms energy: -655.431155 where: bonds (distance) C4'-P energy: -126.893 bonds (distance) P-C4' energy: -120.962 flat angles C4'-P-C4' energy: -166.688 flat angles P-C4'-P energy: -98.921 tors. eta vs tors. theta energy: -141.967 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: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2018.516821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.516821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.516821 (E_RNA) where: Base-Base interactions energy: -1362.138 where: short stacking energy: -570.474 Base-Backbone interact. energy: -2.382 local terms energy: -653.996401 where: bonds (distance) C4'-P energy: -141.354 bonds (distance) P-C4' energy: -132.246 flat angles C4'-P-C4' energy: -154.984 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -125.786 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: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1783.049707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.049707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.049707 (E_RNA) where: Base-Base interactions energy: -1142.985 where: short stacking energy: -521.632 Base-Backbone interact. energy: -3.083 local terms energy: -636.981772 where: bonds (distance) C4'-P energy: -138.379 bonds (distance) P-C4' energy: -152.169 flat angles C4'-P-C4' energy: -150.144 flat angles P-C4'-P energy: -91.837 tors. eta vs tors. theta energy: -104.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1231.591707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.591707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.591707 (E_RNA) where: Base-Base interactions energy: -733.646 where: short stacking energy: -336.649 Base-Backbone interact. energy: 1.884 local terms energy: -499.830395 where: bonds (distance) C4'-P energy: -116.107 bonds (distance) P-C4' energy: -141.119 flat angles C4'-P-C4' energy: -136.123 flat angles P-C4'-P energy: -73.545 tors. eta vs tors. theta energy: -32.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -874.507512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.507512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.507512 (E_RNA) where: Base-Base interactions energy: -459.500 where: short stacking energy: -283.867 Base-Backbone interact. energy: -1.496 local terms energy: -413.511627 where: bonds (distance) C4'-P energy: -130.876 bonds (distance) P-C4' energy: -115.804 flat angles C4'-P-C4' energy: -123.169 flat angles P-C4'-P energy: -49.703 tors. eta vs tors. theta energy: 6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2913.858812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.858812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.858812 (E_RNA) where: Base-Base interactions energy: -2027.404 where: short stacking energy: -885.380 Base-Backbone interact. energy: -1.049 local terms energy: -885.406102 where: bonds (distance) C4'-P energy: -154.675 bonds (distance) P-C4' energy: -180.685 flat angles C4'-P-C4' energy: -192.246 flat angles P-C4'-P energy: -114.441 tors. eta vs tors. theta energy: -243.359 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: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2824.644390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.644390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.644390 (E_RNA) where: Base-Base interactions energy: -1947.504 where: short stacking energy: -839.770 Base-Backbone interact. energy: -0.854 local terms energy: -876.286500 where: bonds (distance) C4'-P energy: -163.323 bonds (distance) P-C4' energy: -168.795 flat angles C4'-P-C4' energy: -183.099 flat angles P-C4'-P energy: -124.401 tors. eta vs tors. theta energy: -236.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2623.641168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.641168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.641168 (E_RNA) where: Base-Base interactions energy: -1805.842 where: short stacking energy: -784.750 Base-Backbone interact. energy: -4.302 local terms energy: -813.496752 where: bonds (distance) C4'-P energy: -153.500 bonds (distance) P-C4' energy: -144.756 flat angles C4'-P-C4' energy: -171.627 flat angles P-C4'-P energy: -116.916 tors. eta vs tors. theta energy: -226.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2483.289525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.289525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.289525 (E_RNA) where: Base-Base interactions energy: -1681.597 where: short stacking energy: -721.709 Base-Backbone interact. energy: 0.196 local terms energy: -801.888126 where: bonds (distance) C4'-P energy: -145.797 bonds (distance) P-C4' energy: -164.404 flat angles C4'-P-C4' energy: -176.718 flat angles P-C4'-P energy: -113.423 tors. eta vs tors. theta energy: -201.546 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: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2419.844660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.844660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.844660 (E_RNA) where: Base-Base interactions energy: -1676.652 where: short stacking energy: -735.979 Base-Backbone interact. energy: -1.563 local terms energy: -741.629555 where: bonds (distance) C4'-P energy: -130.198 bonds (distance) P-C4' energy: -155.443 flat angles C4'-P-C4' energy: -170.671 flat angles P-C4'-P energy: -106.119 tors. eta vs tors. theta energy: -179.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2258.050994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.050994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.050994 (E_RNA) where: Base-Base interactions energy: -1572.052 where: short stacking energy: -636.754 Base-Backbone interact. energy: 0.200 local terms energy: -686.199127 where: bonds (distance) C4'-P energy: -147.042 bonds (distance) P-C4' energy: -139.781 flat angles C4'-P-C4' energy: -150.719 flat angles P-C4'-P energy: -82.070 tors. eta vs tors. theta energy: -166.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2055.185632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.185632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.185632 (E_RNA) where: Base-Base interactions energy: -1382.893 where: short stacking energy: -597.441 Base-Backbone interact. energy: -2.275 local terms energy: -670.018072 where: bonds (distance) C4'-P energy: -138.338 bonds (distance) P-C4' energy: -137.826 flat angles C4'-P-C4' energy: -162.782 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -135.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1770.201096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.201096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.201096 (E_RNA) where: Base-Base interactions energy: -1138.761 where: short stacking energy: -512.852 Base-Backbone interact. energy: -1.282 local terms energy: -630.158436 where: bonds (distance) C4'-P energy: -134.793 bonds (distance) P-C4' energy: -154.549 flat angles C4'-P-C4' energy: -153.255 flat angles P-C4'-P energy: -77.600 tors. eta vs tors. theta energy: -109.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1251.728336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.728336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.728336 (E_RNA) where: Base-Base interactions energy: -730.034 where: short stacking energy: -344.712 Base-Backbone interact. energy: -2.318 local terms energy: -519.376080 where: bonds (distance) C4'-P energy: -141.908 bonds (distance) P-C4' energy: -120.270 flat angles C4'-P-C4' energy: -139.659 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -39.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -888.592261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.592261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.592261 (E_RNA) where: Base-Base interactions energy: -434.729 where: short stacking energy: -274.750 Base-Backbone interact. energy: 1.757 local terms energy: -455.620561 where: bonds (distance) C4'-P energy: -127.989 bonds (distance) P-C4' energy: -127.171 flat angles C4'-P-C4' energy: -113.086 flat angles P-C4'-P energy: -86.553 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: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2947.416288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.416288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.416288 (E_RNA) where: Base-Base interactions energy: -2035.346 where: short stacking energy: -910.941 Base-Backbone interact. energy: -3.561 local terms energy: -908.509287 where: bonds (distance) C4'-P energy: -154.944 bonds (distance) P-C4' energy: -181.809 flat angles C4'-P-C4' energy: -194.695 flat angles P-C4'-P energy: -121.286 tors. eta vs tors. theta energy: -255.775 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: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2860.528994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.528994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.528994 (E_RNA) where: Base-Base interactions energy: -1988.816 where: short stacking energy: -882.555 Base-Backbone interact. energy: 0.529 local terms energy: -872.241264 where: bonds (distance) C4'-P energy: -165.069 bonds (distance) P-C4' energy: -149.098 flat angles C4'-P-C4' energy: -184.052 flat angles P-C4'-P energy: -123.588 tors. eta vs tors. theta energy: -250.434 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: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2655.438460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.438460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.438460 (E_RNA) where: Base-Base interactions energy: -1815.350 where: short stacking energy: -771.770 Base-Backbone interact. energy: -3.508 local terms energy: -836.579917 where: bonds (distance) C4'-P energy: -156.324 bonds (distance) P-C4' energy: -175.296 flat angles C4'-P-C4' energy: -185.611 flat angles P-C4'-P energy: -109.936 tors. eta vs tors. theta energy: -209.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2489.578513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.578513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.578513 (E_RNA) where: Base-Base interactions energy: -1692.550 where: short stacking energy: -742.088 Base-Backbone interact. energy: -2.032 local terms energy: -794.997078 where: bonds (distance) C4'-P energy: -140.486 bonds (distance) P-C4' energy: -165.574 flat angles C4'-P-C4' energy: -176.035 flat angles P-C4'-P energy: -118.789 tors. eta vs tors. theta energy: -194.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2381.894370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.894370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.894370 (E_RNA) where: Base-Base interactions energy: -1657.403 where: short stacking energy: -737.463 Base-Backbone interact. energy: -5.317 local terms energy: -719.174752 where: bonds (distance) C4'-P energy: -129.877 bonds (distance) P-C4' energy: -131.031 flat angles C4'-P-C4' energy: -171.633 flat angles P-C4'-P energy: -104.564 tors. eta vs tors. theta energy: -182.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2290.058618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.058618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.058618 (E_RNA) where: Base-Base interactions energy: -1575.102 where: short stacking energy: -655.652 Base-Backbone interact. energy: -2.536 local terms energy: -712.419910 where: bonds (distance) C4'-P energy: -145.074 bonds (distance) P-C4' energy: -145.813 flat angles C4'-P-C4' energy: -165.599 flat angles P-C4'-P energy: -101.590 tors. eta vs tors. theta energy: -154.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1939.821174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.821174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.821174 (E_RNA) where: Base-Base interactions energy: -1287.055 where: short stacking energy: -542.477 Base-Backbone interact. energy: 1.164 local terms energy: -653.929544 where: bonds (distance) C4'-P energy: -134.227 bonds (distance) P-C4' energy: -162.799 flat angles C4'-P-C4' energy: -148.783 flat angles P-C4'-P energy: -69.063 tors. eta vs tors. theta energy: -139.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1790.120934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.120934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.120934 (E_RNA) where: Base-Base interactions energy: -1165.653 where: short stacking energy: -528.379 Base-Backbone interact. energy: -1.726 local terms energy: -622.741840 where: bonds (distance) C4'-P energy: -150.020 bonds (distance) P-C4' energy: -139.734 flat angles C4'-P-C4' energy: -140.308 flat angles P-C4'-P energy: -80.199 tors. eta vs tors. theta energy: -112.480 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: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1305.481270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.481270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.481270 (E_RNA) where: Base-Base interactions energy: -776.095 where: short stacking energy: -363.278 Base-Backbone interact. energy: 1.534 local terms energy: -530.920229 where: bonds (distance) C4'-P energy: -133.767 bonds (distance) P-C4' energy: -123.905 flat angles C4'-P-C4' energy: -142.802 flat angles P-C4'-P energy: -84.255 tors. eta vs tors. theta energy: -46.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -841.384809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.384809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.384809 (E_RNA) where: Base-Base interactions energy: -413.760 where: short stacking energy: -262.748 Base-Backbone interact. energy: -3.345 local terms energy: -424.279543 where: bonds (distance) C4'-P energy: -128.397 bonds (distance) P-C4' energy: -114.362 flat angles C4'-P-C4' energy: -92.855 flat angles P-C4'-P energy: -97.458 tors. eta vs tors. theta energy: 8.792 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: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2955.563269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.563269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.563269 (E_RNA) where: Base-Base interactions energy: -2042.274 where: short stacking energy: -908.296 Base-Backbone interact. energy: 0.782 local terms energy: -914.071654 where: bonds (distance) C4'-P energy: -174.409 bonds (distance) P-C4' energy: -166.856 flat angles C4'-P-C4' energy: -197.236 flat angles P-C4'-P energy: -118.826 tors. eta vs tors. theta energy: -256.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2801.826401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.826401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.826401 (E_RNA) where: Base-Base interactions energy: -1934.242 where: short stacking energy: -858.173 Base-Backbone interact. energy: -0.460 local terms energy: -867.124121 where: bonds (distance) C4'-P energy: -164.037 bonds (distance) P-C4' energy: -159.938 flat angles C4'-P-C4' energy: -182.153 flat angles P-C4'-P energy: -134.239 tors. eta vs tors. theta energy: -226.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2671.869640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.869640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.869640 (E_RNA) where: Base-Base interactions energy: -1875.927 where: short stacking energy: -787.222 Base-Backbone interact. energy: 1.542 local terms energy: -797.484361 where: bonds (distance) C4'-P energy: -155.646 bonds (distance) P-C4' energy: -138.365 flat angles C4'-P-C4' energy: -172.403 flat angles P-C4'-P energy: -129.985 tors. eta vs tors. theta energy: -201.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2456.135144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.135144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.135144 (E_RNA) where: Base-Base interactions energy: -1690.866 where: short stacking energy: -744.777 Base-Backbone interact. energy: 0.506 local terms energy: -765.776098 where: bonds (distance) C4'-P energy: -161.547 bonds (distance) P-C4' energy: -145.499 flat angles C4'-P-C4' energy: -177.512 flat angles P-C4'-P energy: -98.266 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: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2416.343923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.343923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.343923 (E_RNA) where: Base-Base interactions energy: -1671.487 where: short stacking energy: -697.336 Base-Backbone interact. energy: 4.384 local terms energy: -749.240877 where: bonds (distance) C4'-P energy: -142.099 bonds (distance) P-C4' energy: -155.412 flat angles C4'-P-C4' energy: -167.386 flat angles P-C4'-P energy: -109.704 tors. eta vs tors. theta energy: -174.639 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: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2248.960106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.960106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.960106 (E_RNA) where: Base-Base interactions energy: -1507.149 where: short stacking energy: -615.100 Base-Backbone interact. energy: 1.003 local terms energy: -742.814443 where: bonds (distance) C4'-P energy: -156.504 bonds (distance) P-C4' energy: -155.727 flat angles C4'-P-C4' energy: -176.164 flat angles P-C4'-P energy: -110.481 tors. eta vs tors. theta energy: -143.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2018.581138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.581138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.581138 (E_RNA) where: Base-Base interactions energy: -1345.937 where: short stacking energy: -586.860 Base-Backbone interact. energy: -3.291 local terms energy: -669.352508 where: bonds (distance) C4'-P energy: -116.014 bonds (distance) P-C4' energy: -147.774 flat angles C4'-P-C4' energy: -157.057 flat angles P-C4'-P energy: -113.336 tors. eta vs tors. theta energy: -135.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1724.060842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.060842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.060842 (E_RNA) where: Base-Base interactions energy: -1134.576 where: short stacking energy: -542.617 Base-Backbone interact. energy: -1.235 local terms energy: -588.249210 where: bonds (distance) C4'-P energy: -133.579 bonds (distance) P-C4' energy: -142.023 flat angles C4'-P-C4' energy: -144.962 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -100.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1357.878723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.878723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.878723 (E_RNA) where: Base-Base interactions energy: -833.349 where: short stacking energy: -366.031 Base-Backbone interact. energy: -0.026 local terms energy: -524.503433 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -150.761 flat angles C4'-P-C4' energy: -113.621 flat angles P-C4'-P energy: -97.952 tors. eta vs tors. theta energy: -36.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -865.518011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.518011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.518011 (E_RNA) where: Base-Base interactions energy: -388.813 where: short stacking energy: -265.465 Base-Backbone interact. energy: 2.404 local terms energy: -479.108738 where: bonds (distance) C4'-P energy: -126.123 bonds (distance) P-C4' energy: -153.306 flat angles C4'-P-C4' energy: -108.459 flat angles P-C4'-P energy: -74.957 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2924.777476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.777476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.777476 (E_RNA) where: Base-Base interactions energy: -2024.123 where: short stacking energy: -910.379 Base-Backbone interact. energy: -5.864 local terms energy: -894.790844 where: bonds (distance) C4'-P energy: -151.404 bonds (distance) P-C4' energy: -160.275 flat angles C4'-P-C4' energy: -192.325 flat angles P-C4'-P energy: -132.667 tors. eta vs tors. theta energy: -258.119 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: 148 Temperature: 0.950000 Total energy: -2819.242084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.242084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.242084 (E_RNA) where: Base-Base interactions energy: -1971.302 where: short stacking energy: -852.487 Base-Backbone interact. energy: -2.206 local terms energy: -845.734342 where: bonds (distance) C4'-P energy: -156.420 bonds (distance) P-C4' energy: -168.568 flat angles C4'-P-C4' energy: -182.631 flat angles P-C4'-P energy: -105.467 tors. eta vs tors. theta energy: -232.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2656.833615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.833615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.833615 (E_RNA) where: Base-Base interactions energy: -1825.471 where: short stacking energy: -757.301 Base-Backbone interact. energy: -1.452 local terms energy: -829.910972 where: bonds (distance) C4'-P energy: -151.488 bonds (distance) P-C4' energy: -166.850 flat angles C4'-P-C4' energy: -175.242 flat angles P-C4'-P energy: -127.852 tors. eta vs tors. theta energy: -208.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2502.807725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.807725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.807725 (E_RNA) where: Base-Base interactions energy: -1732.904 where: short stacking energy: -773.946 Base-Backbone interact. energy: -2.976 local terms energy: -766.928082 where: bonds (distance) C4'-P energy: -137.704 bonds (distance) P-C4' energy: -162.820 flat angles C4'-P-C4' energy: -169.308 flat angles P-C4'-P energy: -117.964 tors. eta vs tors. theta energy: -179.133 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: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2417.806094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.806094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.806094 (E_RNA) where: Base-Base interactions energy: -1663.000 where: short stacking energy: -702.759 Base-Backbone interact. energy: -2.701 local terms energy: -752.105102 where: bonds (distance) C4'-P energy: -143.466 bonds (distance) P-C4' energy: -143.034 flat angles C4'-P-C4' energy: -176.448 flat angles P-C4'-P energy: -102.968 tors. eta vs tors. theta energy: -186.189 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: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2277.897636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.897636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.897636 (E_RNA) where: Base-Base interactions energy: -1564.605 where: short stacking energy: -679.217 Base-Backbone interact. energy: 1.844 local terms energy: -715.136602 where: bonds (distance) C4'-P energy: -147.370 bonds (distance) P-C4' energy: -132.356 flat angles C4'-P-C4' energy: -165.720 flat angles P-C4'-P energy: -94.040 tors. eta vs tors. theta energy: -175.651 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: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -2097.785222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.785222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.785222 (E_RNA) where: Base-Base interactions energy: -1433.456 where: short stacking energy: -628.565 Base-Backbone interact. energy: -1.239 local terms energy: -663.090726 where: bonds (distance) C4'-P energy: -126.162 bonds (distance) P-C4' energy: -138.260 flat angles C4'-P-C4' energy: -168.888 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -154.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1729.229023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.229023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.229023 (E_RNA) where: Base-Base interactions energy: -1105.955 where: short stacking energy: -489.820 Base-Backbone interact. energy: -3.021 local terms energy: -620.253683 where: bonds (distance) C4'-P energy: -143.507 bonds (distance) P-C4' energy: -134.833 flat angles C4'-P-C4' energy: -148.914 flat angles P-C4'-P energy: -107.893 tors. eta vs tors. theta energy: -85.107 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: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1384.893308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.893308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.893308 (E_RNA) where: Base-Base interactions energy: -865.228 where: short stacking energy: -427.750 Base-Backbone interact. energy: -3.214 local terms energy: -516.450615 where: bonds (distance) C4'-P energy: -134.240 bonds (distance) P-C4' energy: -136.018 flat angles C4'-P-C4' energy: -122.552 flat angles P-C4'-P energy: -48.920 tors. eta vs tors. theta energy: -74.720 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: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -813.642173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.642173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.642173 (E_RNA) where: Base-Base interactions energy: -394.828 where: short stacking energy: -241.986 Base-Backbone interact. energy: 2.046 local terms energy: -420.860251 where: bonds (distance) C4'-P energy: -142.057 bonds (distance) P-C4' energy: -137.646 flat angles C4'-P-C4' energy: -106.846 flat angles P-C4'-P energy: -49.480 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: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2941.286849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.286849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.286849 (E_RNA) where: Base-Base interactions energy: -2001.454 where: short stacking energy: -890.630 Base-Backbone interact. energy: -2.656 local terms energy: -937.176585 where: bonds (distance) C4'-P energy: -164.120 bonds (distance) P-C4' energy: -183.761 flat angles C4'-P-C4' energy: -201.451 flat angles P-C4'-P energy: -132.342 tors. eta vs tors. theta energy: -255.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2740.371776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.371776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.371776 (E_RNA) where: Base-Base interactions energy: -1902.290 where: short stacking energy: -802.782 Base-Backbone interact. energy: 1.230 local terms energy: -839.312219 where: bonds (distance) C4'-P energy: -161.768 bonds (distance) P-C4' energy: -168.665 flat angles C4'-P-C4' energy: -191.064 flat angles P-C4'-P energy: -109.572 tors. eta vs tors. theta energy: -208.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2754.735648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.735648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.735648 (E_RNA) where: Base-Base interactions energy: -1918.028 where: short stacking energy: -825.701 Base-Backbone interact. energy: 0.220 local terms energy: -836.927541 where: bonds (distance) C4'-P energy: -152.900 bonds (distance) P-C4' energy: -163.458 flat angles C4'-P-C4' energy: -175.838 flat angles P-C4'-P energy: -131.375 tors. eta vs tors. theta energy: -213.355 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: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2499.694034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.694034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.694034 (E_RNA) where: Base-Base interactions energy: -1715.495 where: short stacking energy: -762.928 Base-Backbone interact. energy: 3.458 local terms energy: -787.656419 where: bonds (distance) C4'-P energy: -141.170 bonds (distance) P-C4' energy: -147.375 flat angles C4'-P-C4' energy: -185.867 flat angles P-C4'-P energy: -121.879 tors. eta vs tors. theta energy: -191.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2400.335482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.335482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.335482 (E_RNA) where: Base-Base interactions energy: -1646.341 where: short stacking energy: -735.648 Base-Backbone interact. energy: -1.242 local terms energy: -752.752940 where: bonds (distance) C4'-P energy: -153.692 bonds (distance) P-C4' energy: -137.466 flat angles C4'-P-C4' energy: -156.557 flat angles P-C4'-P energy: -116.923 tors. eta vs tors. theta energy: -188.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2280.941667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.941667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.941667 (E_RNA) where: Base-Base interactions energy: -1565.364 where: short stacking energy: -687.104 Base-Backbone interact. energy: 5.921 local terms energy: -721.499171 where: bonds (distance) C4'-P energy: -129.299 bonds (distance) P-C4' energy: -152.791 flat angles C4'-P-C4' energy: -169.068 flat angles P-C4'-P energy: -96.186 tors. eta vs tors. theta energy: -174.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1955.684895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.684895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.684895 (E_RNA) where: Base-Base interactions energy: -1307.074 where: short stacking energy: -593.218 Base-Backbone interact. energy: -2.863 local terms energy: -645.747748 where: bonds (distance) C4'-P energy: -133.794 bonds (distance) P-C4' energy: -123.642 flat angles C4'-P-C4' energy: -151.551 flat angles P-C4'-P energy: -111.706 tors. eta vs tors. theta energy: -125.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1735.753929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.753929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.753929 (E_RNA) where: Base-Base interactions energy: -1142.346 where: short stacking energy: -526.933 Base-Backbone interact. energy: -2.856 local terms energy: -590.551362 where: bonds (distance) C4'-P energy: -117.223 bonds (distance) P-C4' energy: -143.472 flat angles C4'-P-C4' energy: -133.624 flat angles P-C4'-P energy: -90.129 tors. eta vs tors. theta energy: -106.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1236.686598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.686598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.686598 (E_RNA) where: Base-Base interactions energy: -721.890 where: short stacking energy: -383.795 Base-Backbone interact. energy: -1.203 local terms energy: -513.594515 where: bonds (distance) C4'-P energy: -111.830 bonds (distance) P-C4' energy: -131.450 flat angles C4'-P-C4' energy: -141.588 flat angles P-C4'-P energy: -81.560 tors. eta vs tors. theta energy: -47.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -891.990739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.990739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.990739 (E_RNA) where: Base-Base interactions energy: -460.503 where: short stacking energy: -255.725 Base-Backbone interact. energy: -2.312 local terms energy: -429.176017 where: bonds (distance) C4'-P energy: -128.452 bonds (distance) P-C4' energy: -141.642 flat angles C4'-P-C4' energy: -129.292 flat angles P-C4'-P energy: -40.999 tors. eta vs tors. theta energy: 11.208 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: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2903.752541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.752541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.752541 (E_RNA) where: Base-Base interactions energy: -2003.603 where: short stacking energy: -892.863 Base-Backbone interact. energy: -0.550 local terms energy: -899.599322 where: bonds (distance) C4'-P energy: -164.931 bonds (distance) P-C4' energy: -166.141 flat angles C4'-P-C4' energy: -188.325 flat angles P-C4'-P energy: -124.267 tors. eta vs tors. theta energy: -255.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2757.002244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.002244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.002244 (E_RNA) where: Base-Base interactions energy: -1899.670 where: short stacking energy: -816.189 Base-Backbone interact. energy: 3.010 local terms energy: -860.342207 where: bonds (distance) C4'-P energy: -162.932 bonds (distance) P-C4' energy: -176.692 flat angles C4'-P-C4' energy: -184.517 flat angles P-C4'-P energy: -125.930 tors. eta vs tors. theta energy: -210.271 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: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2807.006605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.006605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.006605 (E_RNA) where: Base-Base interactions energy: -1944.617 where: short stacking energy: -842.759 Base-Backbone interact. energy: -1.403 local terms energy: -860.986557 where: bonds (distance) C4'-P energy: -160.828 bonds (distance) P-C4' energy: -164.845 flat angles C4'-P-C4' energy: -166.309 flat angles P-C4'-P energy: -133.507 tors. eta vs tors. theta energy: -235.497 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: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2505.733827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.733827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.733827 (E_RNA) where: Base-Base interactions energy: -1723.454 where: short stacking energy: -751.977 Base-Backbone interact. energy: -2.022 local terms energy: -780.258097 where: bonds (distance) C4'-P energy: -154.872 bonds (distance) P-C4' energy: -168.744 flat angles C4'-P-C4' energy: -162.231 flat angles P-C4'-P energy: -99.747 tors. eta vs tors. theta energy: -194.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2417.803292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.803292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.803292 (E_RNA) where: Base-Base interactions energy: -1657.975 where: short stacking energy: -698.919 Base-Backbone interact. energy: -4.709 local terms energy: -755.118838 where: bonds (distance) C4'-P energy: -144.332 bonds (distance) P-C4' energy: -159.564 flat angles C4'-P-C4' energy: -158.422 flat angles P-C4'-P energy: -105.684 tors. eta vs tors. theta energy: -187.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2202.759252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.759252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.759252 (E_RNA) where: Base-Base interactions energy: -1522.173 where: short stacking energy: -630.365 Base-Backbone interact. energy: -1.835 local terms energy: -678.751378 where: bonds (distance) C4'-P energy: -141.874 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -146.305 flat angles P-C4'-P energy: -92.615 tors. eta vs tors. theta energy: -152.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1961.308458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.308458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.308458 (E_RNA) where: Base-Base interactions energy: -1310.744 where: short stacking energy: -567.931 Base-Backbone interact. energy: -1.231 local terms energy: -649.333745 where: bonds (distance) C4'-P energy: -136.667 bonds (distance) P-C4' energy: -150.919 flat angles C4'-P-C4' energy: -152.000 flat angles P-C4'-P energy: -98.470 tors. eta vs tors. theta energy: -111.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1765.181799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.181799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.181799 (E_RNA) where: Base-Base interactions energy: -1143.853 where: short stacking energy: -512.191 Base-Backbone interact. energy: -4.130 local terms energy: -617.198428 where: bonds (distance) C4'-P energy: -149.312 bonds (distance) P-C4' energy: -129.189 flat angles C4'-P-C4' energy: -148.518 flat angles P-C4'-P energy: -91.914 tors. eta vs tors. theta energy: -98.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1315.483414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.483414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.483414 (E_RNA) where: Base-Base interactions energy: -808.531 where: short stacking energy: -386.343 Base-Backbone interact. energy: -2.410 local terms energy: -504.542569 where: bonds (distance) C4'-P energy: -136.672 bonds (distance) P-C4' energy: -132.782 flat angles C4'-P-C4' energy: -119.254 flat angles P-C4'-P energy: -70.103 tors. eta vs tors. theta energy: -45.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -926.371277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.371277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.371277 (E_RNA) where: Base-Base interactions energy: -481.561 where: short stacking energy: -263.073 Base-Backbone interact. energy: -2.534 local terms energy: -442.276398 where: bonds (distance) C4'-P energy: -117.260 bonds (distance) P-C4' energy: -145.938 flat angles C4'-P-C4' energy: -112.268 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: 12.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2922.532207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.532207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.532207 (E_RNA) where: Base-Base interactions energy: -2015.239 where: short stacking energy: -891.959 Base-Backbone interact. energy: 2.915 local terms energy: -910.208029 where: bonds (distance) C4'-P energy: -159.227 bonds (distance) P-C4' energy: -169.837 flat angles C4'-P-C4' energy: -194.546 flat angles P-C4'-P energy: -131.828 tors. eta vs tors. theta energy: -254.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2801.304990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.304990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.304990 (E_RNA) where: Base-Base interactions energy: -1929.023 where: short stacking energy: -850.605 Base-Backbone interact. energy: -3.871 local terms energy: -868.411188 where: bonds (distance) C4'-P energy: -150.021 bonds (distance) P-C4' energy: -168.906 flat angles C4'-P-C4' energy: -194.148 flat angles P-C4'-P energy: -132.279 tors. eta vs tors. theta energy: -223.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2763.077574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.077574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.077574 (E_RNA) where: Base-Base interactions energy: -1924.564 where: short stacking energy: -821.412 Base-Backbone interact. energy: -1.938 local terms energy: -836.575022 where: bonds (distance) C4'-P energy: -150.654 bonds (distance) P-C4' energy: -158.134 flat angles C4'-P-C4' energy: -185.791 flat angles P-C4'-P energy: -109.007 tors. eta vs tors. theta energy: -232.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2508.473705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.473705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.473705 (E_RNA) where: Base-Base interactions energy: -1691.380 where: short stacking energy: -747.097 Base-Backbone interact. energy: 1.054 local terms energy: -818.148265 where: bonds (distance) C4'-P energy: -160.467 bonds (distance) P-C4' energy: -145.668 flat angles C4'-P-C4' energy: -178.519 flat angles P-C4'-P energy: -125.165 tors. eta vs tors. theta energy: -208.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2445.996258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.996258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.996258 (E_RNA) where: Base-Base interactions energy: -1671.362 where: short stacking energy: -724.538 Base-Backbone interact. energy: -2.138 local terms energy: -772.496779 where: bonds (distance) C4'-P energy: -154.444 bonds (distance) P-C4' energy: -139.493 flat angles C4'-P-C4' energy: -168.682 flat angles P-C4'-P energy: -119.135 tors. eta vs tors. theta energy: -190.743 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: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2277.151899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.151899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.151899 (E_RNA) where: Base-Base interactions energy: -1549.645 where: short stacking energy: -629.967 Base-Backbone interact. energy: -3.782 local terms energy: -723.725015 where: bonds (distance) C4'-P energy: -125.172 bonds (distance) P-C4' energy: -150.753 flat angles C4'-P-C4' energy: -169.808 flat angles P-C4'-P energy: -100.923 tors. eta vs tors. theta energy: -177.069 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: 7, replica: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1948.088423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.088423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.088423 (E_RNA) where: Base-Base interactions energy: -1285.972 where: short stacking energy: -545.443 Base-Backbone interact. energy: 4.375 local terms energy: -666.491265 where: bonds (distance) C4'-P energy: -142.740 bonds (distance) P-C4' energy: -158.409 flat angles C4'-P-C4' energy: -153.340 flat angles P-C4'-P energy: -106.106 tors. eta vs tors. theta energy: -105.895 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: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1768.373272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.373272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.373272 (E_RNA) where: Base-Base interactions energy: -1125.273 where: short stacking energy: -505.757 Base-Backbone interact. energy: 1.551 local terms energy: -644.650698 where: bonds (distance) C4'-P energy: -156.868 bonds (distance) P-C4' energy: -138.153 flat angles C4'-P-C4' energy: -152.250 flat angles P-C4'-P energy: -102.476 tors. eta vs tors. theta energy: -94.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1352.648554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.648554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.648554 (E_RNA) where: Base-Base interactions energy: -820.661 where: short stacking energy: -395.546 Base-Backbone interact. energy: -1.992 local terms energy: -529.995592 where: bonds (distance) C4'-P energy: -120.654 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -136.514 flat angles P-C4'-P energy: -96.645 tors. eta vs tors. theta energy: -61.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -973.244703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.244703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.244703 (E_RNA) where: Base-Base interactions energy: -529.271 where: short stacking energy: -265.614 Base-Backbone interact. energy: 11.232 local terms energy: -455.206343 where: bonds (distance) C4'-P energy: -126.663 bonds (distance) P-C4' energy: -147.215 flat angles C4'-P-C4' energy: -121.501 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: 4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2945.981899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.981899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.981899 (E_RNA) where: Base-Base interactions energy: -2032.796 where: short stacking energy: -893.704 Base-Backbone interact. energy: 0.317 local terms energy: -913.502868 where: bonds (distance) C4'-P energy: -177.938 bonds (distance) P-C4' energy: -162.089 flat angles C4'-P-C4' energy: -193.136 flat angles P-C4'-P energy: -122.509 tors. eta vs tors. theta energy: -257.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2760.469176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.469176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.469176 (E_RNA) where: Base-Base interactions energy: -1914.273 where: short stacking energy: -834.415 Base-Backbone interact. energy: -6.987 local terms energy: -839.209368 where: bonds (distance) C4'-P energy: -162.153 bonds (distance) P-C4' energy: -171.073 flat angles C4'-P-C4' energy: -168.691 flat angles P-C4'-P energy: -119.780 tors. eta vs tors. theta energy: -217.512 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: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2760.427886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.427886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.427886 (E_RNA) where: Base-Base interactions energy: -1940.896 where: short stacking energy: -831.426 Base-Backbone interact. energy: -2.721 local terms energy: -816.811659 where: bonds (distance) C4'-P energy: -139.492 bonds (distance) P-C4' energy: -150.395 flat angles C4'-P-C4' energy: -174.994 flat angles P-C4'-P energy: -123.810 tors. eta vs tors. theta energy: -228.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2494.476745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.476745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.476745 (E_RNA) where: Base-Base interactions energy: -1720.313 where: short stacking energy: -739.165 Base-Backbone interact. energy: 1.713 local terms energy: -775.877454 where: bonds (distance) C4'-P energy: -139.216 bonds (distance) P-C4' energy: -166.398 flat angles C4'-P-C4' energy: -175.504 flat angles P-C4'-P energy: -114.655 tors. eta vs tors. theta energy: -180.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2436.009038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.009038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.009038 (E_RNA) where: Base-Base interactions energy: -1637.062 where: short stacking energy: -696.601 Base-Backbone interact. energy: -1.480 local terms energy: -797.467318 where: bonds (distance) C4'-P energy: -137.041 bonds (distance) P-C4' energy: -165.024 flat angles C4'-P-C4' energy: -184.160 flat angles P-C4'-P energy: -123.964 tors. eta vs tors. theta energy: -187.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2262.411083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.411083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.411083 (E_RNA) where: Base-Base interactions energy: -1559.560 where: short stacking energy: -636.850 Base-Backbone interact. energy: 6.631 local terms energy: -709.482381 where: bonds (distance) C4'-P energy: -142.906 bonds (distance) P-C4' energy: -120.445 flat angles C4'-P-C4' energy: -182.264 flat angles P-C4'-P energy: -103.025 tors. eta vs tors. theta energy: -160.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1985.942982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.942982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.942982 (E_RNA) where: Base-Base interactions energy: -1329.558 where: short stacking energy: -577.994 Base-Backbone interact. energy: -1.063 local terms energy: -655.322229 where: bonds (distance) C4'-P energy: -127.497 bonds (distance) P-C4' energy: -150.457 flat angles C4'-P-C4' energy: -149.381 flat angles P-C4'-P energy: -96.581 tors. eta vs tors. theta energy: -131.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1730.408794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.408794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.408794 (E_RNA) where: Base-Base interactions energy: -1117.257 where: short stacking energy: -516.983 Base-Backbone interact. energy: -3.743 local terms energy: -609.408233 where: bonds (distance) C4'-P energy: -125.478 bonds (distance) P-C4' energy: -133.270 flat angles C4'-P-C4' energy: -155.562 flat angles P-C4'-P energy: -92.517 tors. eta vs tors. theta energy: -102.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1372.433415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.433415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.433415 (E_RNA) where: Base-Base interactions energy: -834.252 where: short stacking energy: -408.068 Base-Backbone interact. energy: 0.096 local terms energy: -538.277697 where: bonds (distance) C4'-P energy: -139.617 bonds (distance) P-C4' energy: -134.118 flat angles C4'-P-C4' energy: -139.804 flat angles P-C4'-P energy: -69.602 tors. eta vs tors. theta energy: -55.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -976.694033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.694033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.694033 (E_RNA) where: Base-Base interactions energy: -520.313 where: short stacking energy: -263.327 Base-Backbone interact. energy: -0.527 local terms energy: -455.854374 where: bonds (distance) C4'-P energy: -146.658 bonds (distance) P-C4' energy: -148.670 flat angles C4'-P-C4' energy: -101.462 flat angles P-C4'-P energy: -57.099 tors. eta vs tors. theta energy: -1.965 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: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2941.857993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.857993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.857993 (E_RNA) where: Base-Base interactions energy: -2033.676 where: short stacking energy: -905.503 Base-Backbone interact. energy: -1.229 local terms energy: -906.953607 where: bonds (distance) C4'-P energy: -175.272 bonds (distance) P-C4' energy: -169.857 flat angles C4'-P-C4' energy: -190.736 flat angles P-C4'-P energy: -106.575 tors. eta vs tors. theta energy: -264.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2833.464500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.464500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.464500 (E_RNA) where: Base-Base interactions energy: -1956.833 where: short stacking energy: -854.169 Base-Backbone interact. energy: -4.786 local terms energy: -871.844830 where: bonds (distance) C4'-P energy: -167.015 bonds (distance) P-C4' energy: -177.074 flat angles C4'-P-C4' energy: -176.117 flat angles P-C4'-P energy: -111.752 tors. eta vs tors. theta energy: -239.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2699.689425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.689425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.689425 (E_RNA) where: Base-Base interactions energy: -1892.549 where: short stacking energy: -783.424 Base-Backbone interact. energy: -5.409 local terms energy: -801.731362 where: bonds (distance) C4'-P energy: -153.434 bonds (distance) P-C4' energy: -164.653 flat angles C4'-P-C4' energy: -170.585 flat angles P-C4'-P energy: -108.163 tors. eta vs tors. theta energy: -204.897 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: 4, replica: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2530.861574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.861574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.861574 (E_RNA) where: Base-Base interactions energy: -1748.922 where: short stacking energy: -758.083 Base-Backbone interact. energy: -2.718 local terms energy: -779.221857 where: bonds (distance) C4'-P energy: -138.679 bonds (distance) P-C4' energy: -164.134 flat angles C4'-P-C4' energy: -180.384 flat angles P-C4'-P energy: -97.257 tors. eta vs tors. theta energy: -198.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2456.835037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.835037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.835037 (E_RNA) where: Base-Base interactions energy: -1678.095 where: short stacking energy: -725.173 Base-Backbone interact. energy: -3.105 local terms energy: -775.634479 where: bonds (distance) C4'-P energy: -169.585 bonds (distance) P-C4' energy: -160.720 flat angles C4'-P-C4' energy: -155.900 flat angles P-C4'-P energy: -100.900 tors. eta vs tors. theta energy: -188.529 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: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2287.714342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.714342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.714342 (E_RNA) where: Base-Base interactions energy: -1591.934 where: short stacking energy: -662.523 Base-Backbone interact. energy: 3.703 local terms energy: -699.483020 where: bonds (distance) C4'-P energy: -152.879 bonds (distance) P-C4' energy: -147.884 flat angles C4'-P-C4' energy: -146.741 flat angles P-C4'-P energy: -83.857 tors. eta vs tors. theta energy: -168.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1987.350579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.350579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.350579 (E_RNA) where: Base-Base interactions energy: -1329.037 where: short stacking energy: -579.627 Base-Backbone interact. energy: -0.268 local terms energy: -658.045086 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -156.292 flat angles C4'-P-C4' energy: -151.872 flat angles P-C4'-P energy: -90.849 tors. eta vs tors. theta energy: -135.433 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: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1703.478927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.478927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.478927 (E_RNA) where: Base-Base interactions energy: -1120.084 where: short stacking energy: -507.008 Base-Backbone interact. energy: 3.306 local terms energy: -586.701055 where: bonds (distance) C4'-P energy: -129.672 bonds (distance) P-C4' energy: -131.273 flat angles C4'-P-C4' energy: -133.808 flat angles P-C4'-P energy: -79.002 tors. eta vs tors. theta energy: -112.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1318.531040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.531040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.531040 (E_RNA) where: Base-Base interactions energy: -778.872 where: short stacking energy: -385.100 Base-Backbone interact. energy: -2.237 local terms energy: -537.421583 where: bonds (distance) C4'-P energy: -147.092 bonds (distance) P-C4' energy: -140.115 flat angles C4'-P-C4' energy: -138.347 flat angles P-C4'-P energy: -49.652 tors. eta vs tors. theta energy: -62.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -960.011730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.011730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.011730 (E_RNA) where: Base-Base interactions energy: -516.254 where: short stacking energy: -303.154 Base-Backbone interact. energy: -2.290 local terms energy: -441.467745 where: bonds (distance) C4'-P energy: -122.409 bonds (distance) P-C4' energy: -131.893 flat angles C4'-P-C4' energy: -117.524 flat angles P-C4'-P energy: -68.884 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2937.150507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.150507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.150507 (E_RNA) where: Base-Base interactions energy: -2039.730 where: short stacking energy: -916.404 Base-Backbone interact. energy: -1.504 local terms energy: -895.916260 where: bonds (distance) C4'-P energy: -154.096 bonds (distance) P-C4' energy: -171.021 flat angles C4'-P-C4' energy: -186.123 flat angles P-C4'-P energy: -133.014 tors. eta vs tors. theta energy: -251.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2850.083563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.083563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.083563 (E_RNA) where: Base-Base interactions energy: -1987.179 where: short stacking energy: -866.250 Base-Backbone interact. energy: -1.912 local terms energy: -860.991703 where: bonds (distance) C4'-P energy: -160.487 bonds (distance) P-C4' energy: -159.440 flat angles C4'-P-C4' energy: -184.819 flat angles P-C4'-P energy: -116.175 tors. eta vs tors. theta energy: -240.072 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: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2660.229865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.229865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.229865 (E_RNA) where: Base-Base interactions energy: -1843.779 where: short stacking energy: -766.034 Base-Backbone interact. energy: -0.124 local terms energy: -816.326765 where: bonds (distance) C4'-P energy: -157.847 bonds (distance) P-C4' energy: -161.656 flat angles C4'-P-C4' energy: -186.601 flat angles P-C4'-P energy: -114.396 tors. eta vs tors. theta energy: -195.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2476.898281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.898281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.898281 (E_RNA) where: Base-Base interactions energy: -1669.989 where: short stacking energy: -740.458 Base-Backbone interact. energy: 1.515 local terms energy: -808.425094 where: bonds (distance) C4'-P energy: -151.969 bonds (distance) P-C4' energy: -168.858 flat angles C4'-P-C4' energy: -174.506 flat angles P-C4'-P energy: -115.261 tors. eta vs tors. theta energy: -197.830 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: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2423.744867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.744867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.744867 (E_RNA) where: Base-Base interactions energy: -1683.869 where: short stacking energy: -724.281 Base-Backbone interact. energy: -3.014 local terms energy: -736.861978 where: bonds (distance) C4'-P energy: -126.673 bonds (distance) P-C4' energy: -147.244 flat angles C4'-P-C4' energy: -168.703 flat angles P-C4'-P energy: -106.240 tors. eta vs tors. theta energy: -188.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2270.802263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.802263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.802263 (E_RNA) where: Base-Base interactions energy: -1568.541 where: short stacking energy: -674.121 Base-Backbone interact. energy: 3.610 local terms energy: -705.870657 where: bonds (distance) C4'-P energy: -127.821 bonds (distance) P-C4' energy: -154.728 flat angles C4'-P-C4' energy: -142.864 flat angles P-C4'-P energy: -119.227 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: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1966.008160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.008160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.008160 (E_RNA) where: Base-Base interactions energy: -1286.505 where: short stacking energy: -559.864 Base-Backbone interact. energy: -3.531 local terms energy: -675.971705 where: bonds (distance) C4'-P energy: -141.636 bonds (distance) P-C4' energy: -175.004 flat angles C4'-P-C4' energy: -148.797 flat angles P-C4'-P energy: -86.796 tors. eta vs tors. theta energy: -123.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1610.334922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.334922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.334922 (E_RNA) where: Base-Base interactions energy: -1029.959 where: short stacking energy: -506.089 Base-Backbone interact. energy: -1.724 local terms energy: -578.651596 where: bonds (distance) C4'-P energy: -136.365 bonds (distance) P-C4' energy: -138.189 flat angles C4'-P-C4' energy: -139.316 flat angles P-C4'-P energy: -73.597 tors. eta vs tors. theta energy: -91.185 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: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1239.330805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.330805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.330805 (E_RNA) where: Base-Base interactions energy: -708.156 where: short stacking energy: -333.732 Base-Backbone interact. energy: -4.789 local terms energy: -526.385151 where: bonds (distance) C4'-P energy: -134.886 bonds (distance) P-C4' energy: -144.489 flat angles C4'-P-C4' energy: -124.909 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -38.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -913.432098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.432098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.432098 (E_RNA) where: Base-Base interactions energy: -463.760 where: short stacking energy: -259.408 Base-Backbone interact. energy: 4.502 local terms energy: -454.174013 where: bonds (distance) C4'-P energy: -138.285 bonds (distance) P-C4' energy: -141.047 flat angles C4'-P-C4' energy: -105.472 flat angles P-C4'-P energy: -73.211 tors. eta vs tors. theta energy: 3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2939.521923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.521923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.521923 (E_RNA) where: Base-Base interactions energy: -2032.937 where: short stacking energy: -895.017 Base-Backbone interact. energy: -4.628 local terms energy: -901.957128 where: bonds (distance) C4'-P energy: -173.751 bonds (distance) P-C4' energy: -163.709 flat angles C4'-P-C4' energy: -179.916 flat angles P-C4'-P energy: -118.525 tors. eta vs tors. theta energy: -266.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2810.773646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.773646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.773646 (E_RNA) where: Base-Base interactions energy: -1947.880 where: short stacking energy: -838.167 Base-Backbone interact. energy: 3.795 local terms energy: -866.688641 where: bonds (distance) C4'-P energy: -154.581 bonds (distance) P-C4' energy: -183.070 flat angles C4'-P-C4' energy: -179.644 flat angles P-C4'-P energy: -123.229 tors. eta vs tors. theta energy: -226.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2646.557875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.557875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.557875 (E_RNA) where: Base-Base interactions energy: -1808.646 where: short stacking energy: -756.879 Base-Backbone interact. energy: -7.723 local terms energy: -830.188741 where: bonds (distance) C4'-P energy: -152.829 bonds (distance) P-C4' energy: -168.368 flat angles C4'-P-C4' energy: -172.616 flat angles P-C4'-P energy: -115.172 tors. eta vs tors. theta energy: -221.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2503.281780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.281780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.281780 (E_RNA) where: Base-Base interactions energy: -1721.283 where: short stacking energy: -769.509 Base-Backbone interact. energy: 0.692 local terms energy: -782.691401 where: bonds (distance) C4'-P energy: -132.997 bonds (distance) P-C4' energy: -152.801 flat angles C4'-P-C4' energy: -180.791 flat angles P-C4'-P energy: -114.035 tors. eta vs tors. theta energy: -202.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2433.787974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.787974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.787974 (E_RNA) where: Base-Base interactions energy: -1718.512 where: short stacking energy: -752.833 Base-Backbone interact. energy: -0.829 local terms energy: -714.446565 where: bonds (distance) C4'-P energy: -129.865 bonds (distance) P-C4' energy: -134.986 flat angles C4'-P-C4' energy: -161.651 flat angles P-C4'-P energy: -96.854 tors. eta vs tors. theta energy: -191.090 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: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2310.271810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.271810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.271810 (E_RNA) where: Base-Base interactions energy: -1599.565 where: short stacking energy: -685.677 Base-Backbone interact. energy: 8.130 local terms energy: -718.837167 where: bonds (distance) C4'-P energy: -130.275 bonds (distance) P-C4' energy: -154.646 flat angles C4'-P-C4' energy: -152.712 flat angles P-C4'-P energy: -114.184 tors. eta vs tors. theta energy: -167.019 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: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1980.018819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.018819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.018819 (E_RNA) where: Base-Base interactions energy: -1340.622 where: short stacking energy: -579.536 Base-Backbone interact. energy: 3.323 local terms energy: -642.719987 where: bonds (distance) C4'-P energy: -120.591 bonds (distance) P-C4' energy: -149.197 flat angles C4'-P-C4' energy: -155.112 flat angles P-C4'-P energy: -84.604 tors. eta vs tors. theta energy: -133.217 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: 8 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1602.268806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.268806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.268806 (E_RNA) where: Base-Base interactions energy: -1045.204 where: short stacking energy: -455.019 Base-Backbone interact. energy: 0.781 local terms energy: -557.845916 where: bonds (distance) C4'-P energy: -120.975 bonds (distance) P-C4' energy: -131.774 flat angles C4'-P-C4' energy: -138.809 flat angles P-C4'-P energy: -87.047 tors. eta vs tors. theta energy: -79.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1267.788799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.788799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.788799 (E_RNA) where: Base-Base interactions energy: -766.649 where: short stacking energy: -402.502 Base-Backbone interact. energy: -1.288 local terms energy: -499.852102 where: bonds (distance) C4'-P energy: -128.284 bonds (distance) P-C4' energy: -128.750 flat angles C4'-P-C4' energy: -122.509 flat angles P-C4'-P energy: -69.788 tors. eta vs tors. theta energy: -50.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -884.111850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.111850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.111850 (E_RNA) where: Base-Base interactions energy: -467.089 where: short stacking energy: -253.919 Base-Backbone interact. energy: 3.090 local terms energy: -420.112766 where: bonds (distance) C4'-P energy: -117.596 bonds (distance) P-C4' energy: -144.574 flat angles C4'-P-C4' energy: -112.243 flat angles P-C4'-P energy: -55.487 tors. eta vs tors. theta energy: 9.788 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: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2944.711425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.711425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.711425 (E_RNA) where: Base-Base interactions energy: -2020.855 where: short stacking energy: -898.512 Base-Backbone interact. energy: -2.407 local terms energy: -921.450081 where: bonds (distance) C4'-P energy: -152.423 bonds (distance) P-C4' energy: -177.048 flat angles C4'-P-C4' energy: -205.680 flat angles P-C4'-P energy: -118.283 tors. eta vs tors. theta energy: -268.016 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: 156 Temperature: 0.950000 Total energy: -2852.965374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.965374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.965374 (E_RNA) where: Base-Base interactions energy: -1985.420 where: short stacking energy: -849.982 Base-Backbone interact. energy: 1.124 local terms energy: -868.669641 where: bonds (distance) C4'-P energy: -162.835 bonds (distance) P-C4' energy: -155.299 flat angles C4'-P-C4' energy: -190.624 flat angles P-C4'-P energy: -129.423 tors. eta vs tors. theta energy: -230.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2712.571977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.571977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.571977 (E_RNA) where: Base-Base interactions energy: -1865.646 where: short stacking energy: -807.551 Base-Backbone interact. energy: -3.391 local terms energy: -843.534783 where: bonds (distance) C4'-P energy: -152.720 bonds (distance) P-C4' energy: -167.520 flat angles C4'-P-C4' energy: -178.581 flat angles P-C4'-P energy: -117.526 tors. eta vs tors. theta energy: -227.187 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: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2507.263403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.263403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.263403 (E_RNA) where: Base-Base interactions energy: -1724.549 where: short stacking energy: -712.416 Base-Backbone interact. energy: -1.147 local terms energy: -781.567059 where: bonds (distance) C4'-P energy: -174.332 bonds (distance) P-C4' energy: -160.487 flat angles C4'-P-C4' energy: -150.796 flat angles P-C4'-P energy: -111.540 tors. eta vs tors. theta energy: -184.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2379.163914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.163914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.163914 (E_RNA) where: Base-Base interactions energy: -1636.217 where: short stacking energy: -680.793 Base-Backbone interact. energy: -2.013 local terms energy: -740.933623 where: bonds (distance) C4'-P energy: -134.912 bonds (distance) P-C4' energy: -148.215 flat angles C4'-P-C4' energy: -165.490 flat angles P-C4'-P energy: -119.870 tors. eta vs tors. theta energy: -172.446 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: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2296.363427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.363427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.363427 (E_RNA) where: Base-Base interactions energy: -1595.780 where: short stacking energy: -673.406 Base-Backbone interact. energy: -1.525 local terms energy: -699.058141 where: bonds (distance) C4'-P energy: -138.997 bonds (distance) P-C4' energy: -138.183 flat angles C4'-P-C4' energy: -157.137 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -173.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1967.167226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.167226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.167226 (E_RNA) where: Base-Base interactions energy: -1343.682 where: short stacking energy: -581.207 Base-Backbone interact. energy: 5.409 local terms energy: -628.894515 where: bonds (distance) C4'-P energy: -127.379 bonds (distance) P-C4' energy: -138.536 flat angles C4'-P-C4' energy: -135.171 flat angles P-C4'-P energy: -109.571 tors. eta vs tors. theta energy: -118.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1594.705845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.705845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.705845 (E_RNA) where: Base-Base interactions energy: -991.393 where: short stacking energy: -491.735 Base-Backbone interact. energy: 0.305 local terms energy: -603.618234 where: bonds (distance) C4'-P energy: -123.362 bonds (distance) P-C4' energy: -155.088 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -91.746 tors. eta vs tors. theta energy: -88.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1299.092125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.092125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.092125 (E_RNA) where: Base-Base interactions energy: -773.279 where: short stacking energy: -383.485 Base-Backbone interact. energy: -2.252 local terms energy: -523.562055 where: bonds (distance) C4'-P energy: -140.183 bonds (distance) P-C4' energy: -145.287 flat angles C4'-P-C4' energy: -128.997 flat angles P-C4'-P energy: -65.291 tors. eta vs tors. theta energy: -43.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -950.307256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.307256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.307256 (E_RNA) where: Base-Base interactions energy: -513.035 where: short stacking energy: -330.519 Base-Backbone interact. energy: 5.221 local terms energy: -442.492811 where: bonds (distance) C4'-P energy: -107.458 bonds (distance) P-C4' energy: -123.562 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -24.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2919.992096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.992096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.992096 (E_RNA) where: Base-Base interactions energy: -1993.275 where: short stacking energy: -886.050 Base-Backbone interact. energy: -1.416 local terms energy: -925.301224 where: bonds (distance) C4'-P energy: -166.788 bonds (distance) P-C4' energy: -177.310 flat angles C4'-P-C4' energy: -198.404 flat angles P-C4'-P energy: -121.335 tors. eta vs tors. theta energy: -261.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2838.326682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.326682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.326682 (E_RNA) where: Base-Base interactions energy: -1979.360 where: short stacking energy: -875.175 Base-Backbone interact. energy: -1.524 local terms energy: -857.442992 where: bonds (distance) C4'-P energy: -146.866 bonds (distance) P-C4' energy: -178.348 flat angles C4'-P-C4' energy: -182.772 flat angles P-C4'-P energy: -118.522 tors. eta vs tors. theta energy: -230.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2682.989712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.989712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.989712 (E_RNA) where: Base-Base interactions energy: -1846.068 where: short stacking energy: -804.569 Base-Backbone interact. energy: 0.572 local terms energy: -837.493713 where: bonds (distance) C4'-P energy: -165.608 bonds (distance) P-C4' energy: -168.387 flat angles C4'-P-C4' energy: -171.975 flat angles P-C4'-P energy: -117.263 tors. eta vs tors. theta energy: -214.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2577.032733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.032733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.032733 (E_RNA) where: Base-Base interactions energy: -1783.947 where: short stacking energy: -766.893 Base-Backbone interact. energy: -3.627 local terms energy: -789.458512 where: bonds (distance) C4'-P energy: -142.093 bonds (distance) P-C4' energy: -150.887 flat angles C4'-P-C4' energy: -171.970 flat angles P-C4'-P energy: -124.348 tors. eta vs tors. theta energy: -200.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2409.846824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.846824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.846824 (E_RNA) where: Base-Base interactions energy: -1688.338 where: short stacking energy: -720.896 Base-Backbone interact. energy: 0.091 local terms energy: -721.600107 where: bonds (distance) C4'-P energy: -126.229 bonds (distance) P-C4' energy: -166.128 flat angles C4'-P-C4' energy: -158.784 flat angles P-C4'-P energy: -85.614 tors. eta vs tors. theta energy: -184.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2219.883232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.883232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.883232 (E_RNA) where: Base-Base interactions energy: -1533.878 where: short stacking energy: -650.255 Base-Backbone interact. energy: -1.853 local terms energy: -684.152431 where: bonds (distance) C4'-P energy: -140.046 bonds (distance) P-C4' energy: -145.573 flat angles C4'-P-C4' energy: -136.287 flat angles P-C4'-P energy: -87.530 tors. eta vs tors. theta energy: -174.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1990.026934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.026934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.026934 (E_RNA) where: Base-Base interactions energy: -1327.739 where: short stacking energy: -569.385 Base-Backbone interact. energy: -4.169 local terms energy: -658.118120 where: bonds (distance) C4'-P energy: -146.568 bonds (distance) P-C4' energy: -134.287 flat angles C4'-P-C4' energy: -144.326 flat angles P-C4'-P energy: -101.576 tors. eta vs tors. theta energy: -131.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1627.947409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.947409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.947409 (E_RNA) where: Base-Base interactions energy: -1065.170 where: short stacking energy: -510.633 Base-Backbone interact. energy: 4.383 local terms energy: -567.161270 where: bonds (distance) C4'-P energy: -120.166 bonds (distance) P-C4' energy: -136.153 flat angles C4'-P-C4' energy: -141.442 flat angles P-C4'-P energy: -78.912 tors. eta vs tors. theta energy: -90.487 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: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1301.162788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.162788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.162788 (E_RNA) where: Base-Base interactions energy: -749.384 where: short stacking energy: -403.163 Base-Backbone interact. energy: -1.027 local terms energy: -550.751939 where: bonds (distance) C4'-P energy: -129.017 bonds (distance) P-C4' energy: -141.594 flat angles C4'-P-C4' energy: -128.389 flat angles P-C4'-P energy: -76.339 tors. eta vs tors. theta energy: -75.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -904.604730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.604730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.604730 (E_RNA) where: Base-Base interactions energy: -455.611 where: short stacking energy: -258.478 Base-Backbone interact. energy: 1.411 local terms energy: -450.405498 where: bonds (distance) C4'-P energy: -130.980 bonds (distance) P-C4' energy: -151.411 flat angles C4'-P-C4' energy: -128.430 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: 23.616 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: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2922.760825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.760825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.760825 (E_RNA) where: Base-Base interactions energy: -2027.330 where: short stacking energy: -882.585 Base-Backbone interact. energy: -0.768 local terms energy: -894.662826 where: bonds (distance) C4'-P energy: -169.505 bonds (distance) P-C4' energy: -156.062 flat angles C4'-P-C4' energy: -196.862 flat angles P-C4'-P energy: -124.390 tors. eta vs tors. theta energy: -247.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2847.872688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.872688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.872688 (E_RNA) where: Base-Base interactions energy: -1981.943 where: short stacking energy: -832.439 Base-Backbone interact. energy: -7.039 local terms energy: -858.890159 where: bonds (distance) C4'-P energy: -153.560 bonds (distance) P-C4' energy: -162.560 flat angles C4'-P-C4' energy: -175.644 flat angles P-C4'-P energy: -132.053 tors. eta vs tors. theta energy: -235.072 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: 3, replica: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2681.416510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.416510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.416510 (E_RNA) where: Base-Base interactions energy: -1831.964 where: short stacking energy: -799.370 Base-Backbone interact. energy: -7.572 local terms energy: -841.880777 where: bonds (distance) C4'-P energy: -142.838 bonds (distance) P-C4' energy: -167.029 flat angles C4'-P-C4' energy: -191.564 flat angles P-C4'-P energy: -123.408 tors. eta vs tors. theta energy: -217.043 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: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2494.367089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.367089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.367089 (E_RNA) where: Base-Base interactions energy: -1705.918 where: short stacking energy: -734.030 Base-Backbone interact. energy: -1.402 local terms energy: -787.047588 where: bonds (distance) C4'-P energy: -146.528 bonds (distance) P-C4' energy: -153.546 flat angles C4'-P-C4' energy: -188.061 flat angles P-C4'-P energy: -111.572 tors. eta vs tors. theta energy: -187.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2341.172836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.172836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.172836 (E_RNA) where: Base-Base interactions energy: -1606.104 where: short stacking energy: -711.563 Base-Backbone interact. energy: -3.864 local terms energy: -731.204554 where: bonds (distance) C4'-P energy: -138.295 bonds (distance) P-C4' energy: -149.533 flat angles C4'-P-C4' energy: -173.816 flat angles P-C4'-P energy: -84.961 tors. eta vs tors. theta energy: -184.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2180.366961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.366961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.366961 (E_RNA) where: Base-Base interactions energy: -1473.611 where: short stacking energy: -607.319 Base-Backbone interact. energy: -3.911 local terms energy: -702.844099 where: bonds (distance) C4'-P energy: -144.709 bonds (distance) P-C4' energy: -163.531 flat angles C4'-P-C4' energy: -162.990 flat angles P-C4'-P energy: -92.953 tors. eta vs tors. theta energy: -138.661 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: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1983.407746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.407746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.407746 (E_RNA) where: Base-Base interactions energy: -1310.476 where: short stacking energy: -571.181 Base-Backbone interact. energy: 3.790 local terms energy: -676.722177 where: bonds (distance) C4'-P energy: -148.196 bonds (distance) P-C4' energy: -161.070 flat angles C4'-P-C4' energy: -153.153 flat angles P-C4'-P energy: -97.535 tors. eta vs tors. theta energy: -116.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1537.355276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.355276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.355276 (E_RNA) where: Base-Base interactions energy: -939.205 where: short stacking energy: -428.343 Base-Backbone interact. energy: 2.036 local terms energy: -600.186249 where: bonds (distance) C4'-P energy: -146.231 bonds (distance) P-C4' energy: -144.931 flat angles C4'-P-C4' energy: -136.692 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -77.279 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: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1330.508791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.508791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.508791 (E_RNA) where: Base-Base interactions energy: -798.807 where: short stacking energy: -360.201 Base-Backbone interact. energy: 1.235 local terms energy: -532.937029 where: bonds (distance) C4'-P energy: -128.965 bonds (distance) P-C4' energy: -145.214 flat angles C4'-P-C4' energy: -133.848 flat angles P-C4'-P energy: -74.511 tors. eta vs tors. theta energy: -50.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -897.861884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.861884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.861884 (E_RNA) where: Base-Base interactions energy: -474.284 where: short stacking energy: -283.565 Base-Backbone interact. energy: 2.617 local terms energy: -426.194994 where: bonds (distance) C4'-P energy: -129.181 bonds (distance) P-C4' energy: -111.388 flat angles C4'-P-C4' energy: -114.212 flat angles P-C4'-P energy: -68.479 tors. eta vs tors. theta energy: -2.934 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: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2940.638793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.638793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.638793 (E_RNA) where: Base-Base interactions energy: -2029.833 where: short stacking energy: -900.045 Base-Backbone interact. energy: -3.440 local terms energy: -907.365524 where: bonds (distance) C4'-P energy: -145.337 bonds (distance) P-C4' energy: -176.259 flat angles C4'-P-C4' energy: -186.532 flat angles P-C4'-P energy: -132.843 tors. eta vs tors. theta energy: -266.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2838.330473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.330473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.330473 (E_RNA) where: Base-Base interactions energy: -1966.054 where: short stacking energy: -855.085 Base-Backbone interact. energy: -6.851 local terms energy: -865.425465 where: bonds (distance) C4'-P energy: -149.922 bonds (distance) P-C4' energy: -166.170 flat angles C4'-P-C4' energy: -173.178 flat angles P-C4'-P energy: -132.299 tors. eta vs tors. theta energy: -243.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2714.067087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.067087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.067087 (E_RNA) where: Base-Base interactions energy: -1869.271 where: short stacking energy: -825.059 Base-Backbone interact. energy: -3.125 local terms energy: -841.671533 where: bonds (distance) C4'-P energy: -161.461 bonds (distance) P-C4' energy: -157.556 flat angles C4'-P-C4' energy: -185.989 flat angles P-C4'-P energy: -116.523 tors. eta vs tors. theta energy: -220.142 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: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2538.421235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.421235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.421235 (E_RNA) where: Base-Base interactions energy: -1733.347 where: short stacking energy: -791.840 Base-Backbone interact. energy: -1.420 local terms energy: -803.654158 where: bonds (distance) C4'-P energy: -144.288 bonds (distance) P-C4' energy: -159.305 flat angles C4'-P-C4' energy: -178.333 flat angles P-C4'-P energy: -117.295 tors. eta vs tors. theta energy: -204.434 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: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2412.776877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.776877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.776877 (E_RNA) where: Base-Base interactions energy: -1689.209 where: short stacking energy: -733.455 Base-Backbone interact. energy: -3.868 local terms energy: -719.700093 where: bonds (distance) C4'-P energy: -147.119 bonds (distance) P-C4' energy: -133.428 flat angles C4'-P-C4' energy: -162.549 flat angles P-C4'-P energy: -99.909 tors. eta vs tors. theta energy: -176.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2233.633174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.633174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.633174 (E_RNA) where: Base-Base interactions energy: -1527.600 where: short stacking energy: -656.882 Base-Backbone interact. energy: 1.812 local terms energy: -707.845057 where: bonds (distance) C4'-P energy: -135.043 bonds (distance) P-C4' energy: -142.113 flat angles C4'-P-C4' energy: -162.032 flat angles P-C4'-P energy: -100.655 tors. eta vs tors. theta energy: -168.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2072.647089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.647089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.647089 (E_RNA) where: Base-Base interactions energy: -1389.290 where: short stacking energy: -588.851 Base-Backbone interact. energy: -0.742 local terms energy: -682.615011 where: bonds (distance) C4'-P energy: -140.580 bonds (distance) P-C4' energy: -143.806 flat angles C4'-P-C4' energy: -166.110 flat angles P-C4'-P energy: -91.368 tors. eta vs tors. theta energy: -140.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1514.021563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.021563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.021563 (E_RNA) where: Base-Base interactions energy: -944.591 where: short stacking energy: -457.845 Base-Backbone interact. energy: -3.021 local terms energy: -566.409515 where: bonds (distance) C4'-P energy: -136.707 bonds (distance) P-C4' energy: -140.753 flat angles C4'-P-C4' energy: -140.857 flat angles P-C4'-P energy: -81.614 tors. eta vs tors. theta energy: -66.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1399.649460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.649460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.649460 (E_RNA) where: Base-Base interactions energy: -835.127 where: short stacking energy: -419.384 Base-Backbone interact. energy: -0.663 local terms energy: -563.858802 where: bonds (distance) C4'-P energy: -130.947 bonds (distance) P-C4' energy: -138.824 flat angles C4'-P-C4' energy: -130.909 flat angles P-C4'-P energy: -88.393 tors. eta vs tors. theta energy: -74.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -807.543655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.543655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.543655 (E_RNA) where: Base-Base interactions energy: -350.992 where: short stacking energy: -208.520 Base-Backbone interact. energy: -0.700 local terms energy: -455.851600 where: bonds (distance) C4'-P energy: -134.780 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -110.785 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: 16.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2934.387508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.387508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.387508 (E_RNA) where: Base-Base interactions energy: -2021.946 where: short stacking energy: -888.805 Base-Backbone interact. energy: -5.743 local terms energy: -906.698662 where: bonds (distance) C4'-P energy: -169.756 bonds (distance) P-C4' energy: -174.700 flat angles C4'-P-C4' energy: -179.009 flat angles P-C4'-P energy: -126.273 tors. eta vs tors. theta energy: -256.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2841.323490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.323490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.323490 (E_RNA) where: Base-Base interactions energy: -1975.092 where: short stacking energy: -858.107 Base-Backbone interact. energy: -0.003 local terms energy: -866.228738 where: bonds (distance) C4'-P energy: -169.180 bonds (distance) P-C4' energy: -153.265 flat angles C4'-P-C4' energy: -190.574 flat angles P-C4'-P energy: -128.424 tors. eta vs tors. theta energy: -224.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2649.963339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.963339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.963339 (E_RNA) where: Base-Base interactions energy: -1804.077 where: short stacking energy: -795.240 Base-Backbone interact. energy: -5.503 local terms energy: -840.382777 where: bonds (distance) C4'-P energy: -155.828 bonds (distance) P-C4' energy: -167.587 flat angles C4'-P-C4' energy: -176.033 flat angles P-C4'-P energy: -121.500 tors. eta vs tors. theta energy: -219.435 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: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2564.053139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.053139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.053139 (E_RNA) where: Base-Base interactions energy: -1758.844 where: short stacking energy: -765.800 Base-Backbone interact. energy: -2.404 local terms energy: -802.805677 where: bonds (distance) C4'-P energy: -164.019 bonds (distance) P-C4' energy: -149.294 flat angles C4'-P-C4' energy: -163.827 flat angles P-C4'-P energy: -110.678 tors. eta vs tors. theta energy: -214.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2404.786734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.786734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.786734 (E_RNA) where: Base-Base interactions energy: -1637.620 where: short stacking energy: -717.721 Base-Backbone interact. energy: -2.053 local terms energy: -765.114036 where: bonds (distance) C4'-P energy: -156.096 bonds (distance) P-C4' energy: -155.309 flat angles C4'-P-C4' energy: -161.370 flat angles P-C4'-P energy: -111.595 tors. eta vs tors. theta energy: -180.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2274.456246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.456246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.456246 (E_RNA) where: Base-Base interactions energy: -1546.353 where: short stacking energy: -662.900 Base-Backbone interact. energy: 1.798 local terms energy: -729.900713 where: bonds (distance) C4'-P energy: -145.033 bonds (distance) P-C4' energy: -164.778 flat angles C4'-P-C4' energy: -148.662 flat angles P-C4'-P energy: -112.841 tors. eta vs tors. theta energy: -158.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2042.470315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.470315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.470315 (E_RNA) where: Base-Base interactions energy: -1370.437 where: short stacking energy: -606.307 Base-Backbone interact. energy: -2.611 local terms energy: -669.422849 where: bonds (distance) C4'-P energy: -121.790 bonds (distance) P-C4' energy: -144.556 flat angles C4'-P-C4' energy: -165.715 flat angles P-C4'-P energy: -92.192 tors. eta vs tors. theta energy: -145.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1631.028628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.028628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.028628 (E_RNA) where: Base-Base interactions energy: -1038.415 where: short stacking energy: -472.656 Base-Backbone interact. energy: 3.941 local terms energy: -596.554883 where: bonds (distance) C4'-P energy: -123.789 bonds (distance) P-C4' energy: -131.911 flat angles C4'-P-C4' energy: -149.544 flat angles P-C4'-P energy: -93.375 tors. eta vs tors. theta energy: -97.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1365.805808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.805808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.805808 (E_RNA) where: Base-Base interactions energy: -807.277 where: short stacking energy: -394.617 Base-Backbone interact. energy: -3.250 local terms energy: -555.279259 where: bonds (distance) C4'-P energy: -118.886 bonds (distance) P-C4' energy: -150.524 flat angles C4'-P-C4' energy: -134.637 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -64.468 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: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -866.704723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.704723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.704723 (E_RNA) where: Base-Base interactions energy: -494.534 where: short stacking energy: -271.108 Base-Backbone interact. energy: 5.288 local terms energy: -377.458995 where: bonds (distance) C4'-P energy: -113.037 bonds (distance) P-C4' energy: -129.488 flat angles C4'-P-C4' energy: -93.748 flat angles P-C4'-P energy: -48.686 tors. eta vs tors. theta energy: 7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2933.792645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.792645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.792645 (E_RNA) where: Base-Base interactions energy: -1998.534 where: short stacking energy: -861.408 Base-Backbone interact. energy: -1.857 local terms energy: -933.401859 where: bonds (distance) C4'-P energy: -165.495 bonds (distance) P-C4' energy: -183.010 flat angles C4'-P-C4' energy: -197.460 flat angles P-C4'-P energy: -127.373 tors. eta vs tors. theta energy: -260.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2822.509186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.509186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.509186 (E_RNA) where: Base-Base interactions energy: -1962.928 where: short stacking energy: -859.089 Base-Backbone interact. energy: 0.078 local terms energy: -859.659300 where: bonds (distance) C4'-P energy: -162.947 bonds (distance) P-C4' energy: -150.411 flat angles C4'-P-C4' energy: -189.564 flat angles P-C4'-P energy: -119.921 tors. eta vs tors. theta energy: -236.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2657.667970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.667970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.667970 (E_RNA) where: Base-Base interactions energy: -1834.796 where: short stacking energy: -787.025 Base-Backbone interact. energy: -4.989 local terms energy: -817.882727 where: bonds (distance) C4'-P energy: -157.864 bonds (distance) P-C4' energy: -163.458 flat angles C4'-P-C4' energy: -163.934 flat angles P-C4'-P energy: -108.164 tors. eta vs tors. theta energy: -224.463 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: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2524.798505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.798505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.798505 (E_RNA) where: Base-Base interactions energy: -1719.762 where: short stacking energy: -766.411 Base-Backbone interact. energy: 0.541 local terms energy: -805.577330 where: bonds (distance) C4'-P energy: -151.789 bonds (distance) P-C4' energy: -169.272 flat angles C4'-P-C4' energy: -177.614 flat angles P-C4'-P energy: -105.303 tors. eta vs tors. theta energy: -201.599 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: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2367.418628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.418628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.418628 (E_RNA) where: Base-Base interactions energy: -1599.828 where: short stacking energy: -711.282 Base-Backbone interact. energy: -0.656 local terms energy: -766.934722 where: bonds (distance) C4'-P energy: -149.975 bonds (distance) P-C4' energy: -147.424 flat angles C4'-P-C4' energy: -165.997 flat angles P-C4'-P energy: -127.119 tors. eta vs tors. theta energy: -176.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2337.528365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.528365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.528365 (E_RNA) where: Base-Base interactions energy: -1609.796 where: short stacking energy: -684.742 Base-Backbone interact. energy: -4.241 local terms energy: -723.491811 where: bonds (distance) C4'-P energy: -148.924 bonds (distance) P-C4' energy: -147.060 flat angles C4'-P-C4' energy: -151.613 flat angles P-C4'-P energy: -105.623 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: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2023.534690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.534690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.534690 (E_RNA) where: Base-Base interactions energy: -1340.744 where: short stacking energy: -613.764 Base-Backbone interact. energy: -0.608 local terms energy: -682.182756 where: bonds (distance) C4'-P energy: -126.512 bonds (distance) P-C4' energy: -150.628 flat angles C4'-P-C4' energy: -141.473 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -147.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1709.901747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.901747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.901747 (E_RNA) where: Base-Base interactions energy: -1105.094 where: short stacking energy: -535.120 Base-Backbone interact. energy: 9.628 local terms energy: -614.435437 where: bonds (distance) C4'-P energy: -127.533 bonds (distance) P-C4' energy: -142.757 flat angles C4'-P-C4' energy: -157.180 flat angles P-C4'-P energy: -84.487 tors. eta vs tors. theta energy: -102.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1347.383076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.383076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.383076 (E_RNA) where: Base-Base interactions energy: -827.159 where: short stacking energy: -395.751 Base-Backbone interact. energy: 0.972 local terms energy: -521.196492 where: bonds (distance) C4'-P energy: -124.725 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -113.629 flat angles P-C4'-P energy: -83.415 tors. eta vs tors. theta energy: -57.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -967.912933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.912933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.912933 (E_RNA) where: Base-Base interactions energy: -490.921 where: short stacking energy: -273.654 Base-Backbone interact. energy: 0.544 local terms energy: -477.536295 where: bonds (distance) C4'-P energy: -138.236 bonds (distance) P-C4' energy: -139.492 flat angles C4'-P-C4' energy: -131.784 flat angles P-C4'-P energy: -72.831 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: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2920.246022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.246022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.246022 (E_RNA) where: Base-Base interactions energy: -2024.789 where: short stacking energy: -910.396 Base-Backbone interact. energy: -3.467 local terms energy: -891.989367 where: bonds (distance) C4'-P energy: -183.550 bonds (distance) P-C4' energy: -159.716 flat angles C4'-P-C4' energy: -179.822 flat angles P-C4'-P energy: -113.134 tors. eta vs tors. theta energy: -255.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2841.766123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.766123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.766123 (E_RNA) where: Base-Base interactions energy: -1966.191 where: short stacking energy: -851.443 Base-Backbone interact. energy: -2.395 local terms energy: -873.180284 where: bonds (distance) C4'-P energy: -171.086 bonds (distance) P-C4' energy: -172.719 flat angles C4'-P-C4' energy: -185.644 flat angles P-C4'-P energy: -118.949 tors. eta vs tors. theta energy: -224.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2695.052953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.052953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.052953 (E_RNA) where: Base-Base interactions energy: -1810.124 where: short stacking energy: -806.896 Base-Backbone interact. energy: -2.883 local terms energy: -882.045702 where: bonds (distance) C4'-P energy: -171.157 bonds (distance) P-C4' energy: -176.975 flat angles C4'-P-C4' energy: -182.820 flat angles P-C4'-P energy: -128.181 tors. eta vs tors. theta energy: -222.912 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: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2542.182468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.182468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.182468 (E_RNA) where: Base-Base interactions energy: -1746.640 where: short stacking energy: -723.892 Base-Backbone interact. energy: 2.614 local terms energy: -798.157010 where: bonds (distance) C4'-P energy: -161.844 bonds (distance) P-C4' energy: -160.630 flat angles C4'-P-C4' energy: -177.411 flat angles P-C4'-P energy: -102.245 tors. eta vs tors. theta energy: -196.027 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: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2415.596144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.596144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.596144 (E_RNA) where: Base-Base interactions energy: -1672.685 where: short stacking energy: -708.422 Base-Backbone interact. energy: -0.402 local terms energy: -742.508311 where: bonds (distance) C4'-P energy: -144.269 bonds (distance) P-C4' energy: -157.026 flat angles C4'-P-C4' energy: -163.241 flat angles P-C4'-P energy: -94.282 tors. eta vs tors. theta energy: -183.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2324.532379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.532379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.532379 (E_RNA) where: Base-Base interactions energy: -1619.904 where: short stacking energy: -697.909 Base-Backbone interact. energy: -0.976 local terms energy: -703.653258 where: bonds (distance) C4'-P energy: -151.737 bonds (distance) P-C4' energy: -142.668 flat angles C4'-P-C4' energy: -161.411 flat angles P-C4'-P energy: -76.373 tors. eta vs tors. theta energy: -171.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1956.503837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.503837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.503837 (E_RNA) where: Base-Base interactions energy: -1290.594 where: short stacking energy: -604.779 Base-Backbone interact. energy: -3.715 local terms energy: -662.195633 where: bonds (distance) C4'-P energy: -113.760 bonds (distance) P-C4' energy: -140.641 flat angles C4'-P-C4' energy: -158.829 flat angles P-C4'-P energy: -100.327 tors. eta vs tors. theta energy: -148.639 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: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1727.340988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.340988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.340988 (E_RNA) where: Base-Base interactions energy: -1138.169 where: short stacking energy: -540.390 Base-Backbone interact. energy: 2.729 local terms energy: -591.901489 where: bonds (distance) C4'-P energy: -111.843 bonds (distance) P-C4' energy: -138.077 flat angles C4'-P-C4' energy: -144.881 flat angles P-C4'-P energy: -94.590 tors. eta vs tors. theta energy: -102.510 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: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1336.141468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.141468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.141468 (E_RNA) where: Base-Base interactions energy: -793.966 where: short stacking energy: -381.344 Base-Backbone interact. energy: -1.621 local terms energy: -540.554280 where: bonds (distance) C4'-P energy: -125.735 bonds (distance) P-C4' energy: -141.556 flat angles C4'-P-C4' energy: -145.710 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -57.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -920.293758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.293758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.293758 (E_RNA) where: Base-Base interactions energy: -515.539 where: short stacking energy: -287.446 Base-Backbone interact. energy: 3.522 local terms energy: -408.276437 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -112.882 flat angles C4'-P-C4' energy: -119.286 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -11.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2925.425038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.425038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.425038 (E_RNA) where: Base-Base interactions energy: -2000.604 where: short stacking energy: -879.425 Base-Backbone interact. energy: 2.064 local terms energy: -926.885009 where: bonds (distance) C4'-P energy: -162.092 bonds (distance) P-C4' energy: -183.462 flat angles C4'-P-C4' energy: -201.235 flat angles P-C4'-P energy: -127.710 tors. eta vs tors. theta energy: -252.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2815.903765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.903765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.903765 (E_RNA) where: Base-Base interactions energy: -1918.189 where: short stacking energy: -861.749 Base-Backbone interact. energy: 0.341 local terms energy: -898.055747 where: bonds (distance) C4'-P energy: -172.883 bonds (distance) P-C4' energy: -166.304 flat angles C4'-P-C4' energy: -186.497 flat angles P-C4'-P energy: -125.853 tors. eta vs tors. theta energy: -246.518 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: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2640.304674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.304674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.304674 (E_RNA) where: Base-Base interactions energy: -1811.221 where: short stacking energy: -795.293 Base-Backbone interact. energy: -3.391 local terms energy: -825.692688 where: bonds (distance) C4'-P energy: -149.690 bonds (distance) P-C4' energy: -156.578 flat angles C4'-P-C4' energy: -184.476 flat angles P-C4'-P energy: -108.303 tors. eta vs tors. theta energy: -226.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2554.558647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.558647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.558647 (E_RNA) where: Base-Base interactions energy: -1751.219 where: short stacking energy: -725.862 Base-Backbone interact. energy: -4.056 local terms energy: -799.283988 where: bonds (distance) C4'-P energy: -161.032 bonds (distance) P-C4' energy: -153.182 flat angles C4'-P-C4' energy: -177.761 flat angles P-C4'-P energy: -114.551 tors. eta vs tors. theta energy: -192.759 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: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2453.059527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.059527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.059527 (E_RNA) where: Base-Base interactions energy: -1658.219 where: short stacking energy: -747.828 Base-Backbone interact. energy: -1.849 local terms energy: -792.991475 where: bonds (distance) C4'-P energy: -161.197 bonds (distance) P-C4' energy: -156.158 flat angles C4'-P-C4' energy: -168.950 flat angles P-C4'-P energy: -118.659 tors. eta vs tors. theta energy: -188.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2367.690081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.690081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.690081 (E_RNA) where: Base-Base interactions energy: -1637.785 where: short stacking energy: -721.051 Base-Backbone interact. energy: -2.780 local terms energy: -727.124819 where: bonds (distance) C4'-P energy: -125.175 bonds (distance) P-C4' energy: -145.595 flat angles C4'-P-C4' energy: -156.834 flat angles P-C4'-P energy: -103.023 tors. eta vs tors. theta energy: -196.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1965.095304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.095304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.095304 (E_RNA) where: Base-Base interactions energy: -1292.350 where: short stacking energy: -604.352 Base-Backbone interact. energy: -2.572 local terms energy: -670.174106 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -141.671 flat angles C4'-P-C4' energy: -140.739 flat angles P-C4'-P energy: -97.866 tors. eta vs tors. theta energy: -129.989 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: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1677.916987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.916987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.916987 (E_RNA) where: Base-Base interactions energy: -1069.089 where: short stacking energy: -518.598 Base-Backbone interact. energy: -3.748 local terms energy: -605.080095 where: bonds (distance) C4'-P energy: -133.784 bonds (distance) P-C4' energy: -133.229 flat angles C4'-P-C4' energy: -144.151 flat angles P-C4'-P energy: -88.759 tors. eta vs tors. theta energy: -105.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1346.608440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.608440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.608440 (E_RNA) where: Base-Base interactions energy: -823.132 where: short stacking energy: -431.303 Base-Backbone interact. energy: 2.326 local terms energy: -525.802119 where: bonds (distance) C4'-P energy: -135.385 bonds (distance) P-C4' energy: -148.507 flat angles C4'-P-C4' energy: -110.850 flat angles P-C4'-P energy: -81.367 tors. eta vs tors. theta energy: -49.693 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: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -923.991175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.991175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.991175 (E_RNA) where: Base-Base interactions energy: -481.664 where: short stacking energy: -266.840 Base-Backbone interact. energy: 2.205 local terms energy: -444.532102 where: bonds (distance) C4'-P energy: -126.569 bonds (distance) P-C4' energy: -136.677 flat angles C4'-P-C4' energy: -119.336 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: 7.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2944.279264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.279264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.279264 (E_RNA) where: Base-Base interactions energy: -2058.982 where: short stacking energy: -883.768 Base-Backbone interact. energy: 0.312 local terms energy: -885.609460 where: bonds (distance) C4'-P energy: -161.952 bonds (distance) P-C4' energy: -171.584 flat angles C4'-P-C4' energy: -191.340 flat angles P-C4'-P energy: -116.223 tors. eta vs tors. theta energy: -244.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2816.422041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.422041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.422041 (E_RNA) where: Base-Base interactions energy: -1971.063 where: short stacking energy: -856.402 Base-Backbone interact. energy: 0.757 local terms energy: -846.116078 where: bonds (distance) C4'-P energy: -155.670 bonds (distance) P-C4' energy: -146.047 flat angles C4'-P-C4' energy: -191.989 flat angles P-C4'-P energy: -117.984 tors. eta vs tors. theta energy: -234.425 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: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2676.609838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.609838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.609838 (E_RNA) where: Base-Base interactions energy: -1864.946 where: short stacking energy: -814.356 Base-Backbone interact. energy: 1.614 local terms energy: -813.277603 where: bonds (distance) C4'-P energy: -135.547 bonds (distance) P-C4' energy: -161.091 flat angles C4'-P-C4' energy: -188.697 flat angles P-C4'-P energy: -113.968 tors. eta vs tors. theta energy: -213.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2555.238456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.238456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.238456 (E_RNA) where: Base-Base interactions energy: -1787.517 where: short stacking energy: -736.637 Base-Backbone interact. energy: -4.354 local terms energy: -763.367210 where: bonds (distance) C4'-P energy: -140.197 bonds (distance) P-C4' energy: -139.035 flat angles C4'-P-C4' energy: -185.535 flat angles P-C4'-P energy: -106.628 tors. eta vs tors. theta energy: -191.972 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: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2446.998751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.998751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.998751 (E_RNA) where: Base-Base interactions energy: -1698.715 where: short stacking energy: -732.380 Base-Backbone interact. energy: -2.388 local terms energy: -745.895408 where: bonds (distance) C4'-P energy: -131.204 bonds (distance) P-C4' energy: -145.915 flat angles C4'-P-C4' energy: -156.329 flat angles P-C4'-P energy: -111.769 tors. eta vs tors. theta energy: -200.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2321.922081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.922081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.922081 (E_RNA) where: Base-Base interactions energy: -1593.225 where: short stacking energy: -679.117 Base-Backbone interact. energy: -4.563 local terms energy: -724.134313 where: bonds (distance) C4'-P energy: -150.981 bonds (distance) P-C4' energy: -161.161 flat angles C4'-P-C4' energy: -150.880 flat angles P-C4'-P energy: -100.848 tors. eta vs tors. theta energy: -160.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2000.443584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.443584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.443584 (E_RNA) where: Base-Base interactions energy: -1315.716 where: short stacking energy: -596.510 Base-Backbone interact. energy: -9.200 local terms energy: -675.527891 where: bonds (distance) C4'-P energy: -143.113 bonds (distance) P-C4' energy: -125.383 flat angles C4'-P-C4' energy: -157.140 flat angles P-C4'-P energy: -105.089 tors. eta vs tors. theta energy: -144.803 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: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1780.177971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.177971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.177971 (E_RNA) where: Base-Base interactions energy: -1171.733 where: short stacking energy: -546.424 Base-Backbone interact. energy: -2.600 local terms energy: -605.844607 where: bonds (distance) C4'-P energy: -123.149 bonds (distance) P-C4' energy: -144.791 flat angles C4'-P-C4' energy: -139.713 flat angles P-C4'-P energy: -64.221 tors. eta vs tors. theta energy: -133.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1380.482358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.482358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.482358 (E_RNA) where: Base-Base interactions energy: -826.509 where: short stacking energy: -382.145 Base-Backbone interact. energy: -1.442 local terms energy: -552.531176 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -146.904 flat angles C4'-P-C4' energy: -117.383 flat angles P-C4'-P energy: -87.240 tors. eta vs tors. theta energy: -58.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -858.612151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.612151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.612151 (E_RNA) where: Base-Base interactions energy: -412.477 where: short stacking energy: -268.255 Base-Backbone interact. energy: 4.244 local terms energy: -450.378658 where: bonds (distance) C4'-P energy: -152.807 bonds (distance) P-C4' energy: -135.952 flat angles C4'-P-C4' energy: -117.339 flat angles P-C4'-P energy: -51.776 tors. eta vs tors. theta energy: 7.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2898.937097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.937097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.937097 (E_RNA) where: Base-Base interactions energy: -1995.838 where: short stacking energy: -867.289 Base-Backbone interact. energy: -1.169 local terms energy: -901.930362 where: bonds (distance) C4'-P energy: -177.447 bonds (distance) P-C4' energy: -169.904 flat angles C4'-P-C4' energy: -187.394 flat angles P-C4'-P energy: -122.721 tors. eta vs tors. theta energy: -244.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2845.846045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.846045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.846045 (E_RNA) where: Base-Base interactions energy: -1971.723 where: short stacking energy: -868.106 Base-Backbone interact. energy: -0.501 local terms energy: -873.622564 where: bonds (distance) C4'-P energy: -163.578 bonds (distance) P-C4' energy: -171.526 flat angles C4'-P-C4' energy: -178.645 flat angles P-C4'-P energy: -126.071 tors. eta vs tors. theta energy: -233.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2664.455615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.455615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.455615 (E_RNA) where: Base-Base interactions energy: -1860.293 where: short stacking energy: -810.623 Base-Backbone interact. energy: 7.779 local terms energy: -811.941914 where: bonds (distance) C4'-P energy: -145.647 bonds (distance) P-C4' energy: -158.274 flat angles C4'-P-C4' energy: -178.661 flat angles P-C4'-P energy: -116.787 tors. eta vs tors. theta energy: -212.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2557.602911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.602911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.602911 (E_RNA) where: Base-Base interactions energy: -1743.107 where: short stacking energy: -740.580 Base-Backbone interact. energy: -2.807 local terms energy: -811.689544 where: bonds (distance) C4'-P energy: -151.397 bonds (distance) P-C4' energy: -164.424 flat angles C4'-P-C4' energy: -186.478 flat angles P-C4'-P energy: -111.917 tors. eta vs tors. theta energy: -197.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2421.044943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.044943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.044943 (E_RNA) where: Base-Base interactions energy: -1681.069 where: short stacking energy: -732.329 Base-Backbone interact. energy: -0.559 local terms energy: -739.417785 where: bonds (distance) C4'-P energy: -140.757 bonds (distance) P-C4' energy: -139.733 flat angles C4'-P-C4' energy: -171.531 flat angles P-C4'-P energy: -99.119 tors. eta vs tors. theta energy: -188.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2275.219880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.219880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.219880 (E_RNA) where: Base-Base interactions energy: -1576.568 where: short stacking energy: -659.710 Base-Backbone interact. energy: -6.962 local terms energy: -691.689931 where: bonds (distance) C4'-P energy: -123.428 bonds (distance) P-C4' energy: -137.254 flat angles C4'-P-C4' energy: -156.160 flat angles P-C4'-P energy: -103.240 tors. eta vs tors. theta energy: -171.608 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: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1981.922824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.922824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.922824 (E_RNA) where: Base-Base interactions energy: -1312.694 where: short stacking energy: -584.865 Base-Backbone interact. energy: 9.158 local terms energy: -678.387312 where: bonds (distance) C4'-P energy: -140.121 bonds (distance) P-C4' energy: -148.119 flat angles C4'-P-C4' energy: -158.605 flat angles P-C4'-P energy: -92.904 tors. eta vs tors. theta energy: -138.639 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: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1747.537896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.537896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.537896 (E_RNA) where: Base-Base interactions energy: -1133.906 where: short stacking energy: -490.798 Base-Backbone interact. energy: -2.487 local terms energy: -611.145158 where: bonds (distance) C4'-P energy: -138.891 bonds (distance) P-C4' energy: -148.133 flat angles C4'-P-C4' energy: -144.721 flat angles P-C4'-P energy: -85.856 tors. eta vs tors. theta energy: -93.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1327.146208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.146208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.146208 (E_RNA) where: Base-Base interactions energy: -805.418 where: short stacking energy: -398.466 Base-Backbone interact. energy: -1.103 local terms energy: -520.625321 where: bonds (distance) C4'-P energy: -121.746 bonds (distance) P-C4' energy: -159.454 flat angles C4'-P-C4' energy: -121.955 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -52.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -897.850919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.850919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.850919 (E_RNA) where: Base-Base interactions energy: -477.421 where: short stacking energy: -259.696 Base-Backbone interact. energy: -0.705 local terms energy: -419.725153 where: bonds (distance) C4'-P energy: -103.961 bonds (distance) P-C4' energy: -141.772 flat angles C4'-P-C4' energy: -119.778 flat angles P-C4'-P energy: -63.180 tors. eta vs tors. theta energy: 8.965 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: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2931.678399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.678399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.678399 (E_RNA) where: Base-Base interactions energy: -2018.051 where: short stacking energy: -906.078 Base-Backbone interact. energy: 1.850 local terms energy: -915.477180 where: bonds (distance) C4'-P energy: -177.049 bonds (distance) P-C4' energy: -162.348 flat angles C4'-P-C4' energy: -199.099 flat angles P-C4'-P energy: -130.923 tors. eta vs tors. theta energy: -246.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2841.073286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.073286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.073286 (E_RNA) where: Base-Base interactions energy: -1967.331 where: short stacking energy: -877.546 Base-Backbone interact. energy: -5.012 local terms energy: -868.729988 where: bonds (distance) C4'-P energy: -147.061 bonds (distance) P-C4' energy: -171.469 flat angles C4'-P-C4' energy: -189.451 flat angles P-C4'-P energy: -121.838 tors. eta vs tors. theta energy: -238.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2667.601330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.601330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.601330 (E_RNA) where: Base-Base interactions energy: -1857.905 where: short stacking energy: -806.165 Base-Backbone interact. energy: -7.682 local terms energy: -802.014448 where: bonds (distance) C4'-P energy: -138.352 bonds (distance) P-C4' energy: -160.606 flat angles C4'-P-C4' energy: -178.692 flat angles P-C4'-P energy: -112.435 tors. eta vs tors. theta energy: -211.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2531.034387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.034387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.034387 (E_RNA) where: Base-Base interactions energy: -1737.538 where: short stacking energy: -758.005 Base-Backbone interact. energy: -3.025 local terms energy: -790.471875 where: bonds (distance) C4'-P energy: -143.487 bonds (distance) P-C4' energy: -161.066 flat angles C4'-P-C4' energy: -172.406 flat angles P-C4'-P energy: -116.261 tors. eta vs tors. theta energy: -197.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2446.206009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.206009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.206009 (E_RNA) where: Base-Base interactions energy: -1690.173 where: short stacking energy: -705.262 Base-Backbone interact. energy: -2.459 local terms energy: -753.574482 where: bonds (distance) C4'-P energy: -164.278 bonds (distance) P-C4' energy: -157.561 flat angles C4'-P-C4' energy: -152.794 flat angles P-C4'-P energy: -84.688 tors. eta vs tors. theta energy: -194.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2307.416988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.416988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.416988 (E_RNA) where: Base-Base interactions energy: -1584.431 where: short stacking energy: -670.251 Base-Backbone interact. energy: -2.767 local terms energy: -720.218756 where: bonds (distance) C4'-P energy: -127.822 bonds (distance) P-C4' energy: -158.187 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -102.842 tors. eta vs tors. theta energy: -166.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2039.752893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.752893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.752893 (E_RNA) where: Base-Base interactions energy: -1367.810 where: short stacking energy: -595.922 Base-Backbone interact. energy: -4.199 local terms energy: -667.743788 where: bonds (distance) C4'-P energy: -144.411 bonds (distance) P-C4' energy: -159.098 flat angles C4'-P-C4' energy: -127.924 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -133.281 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: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1783.583097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.583097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.583097 (E_RNA) where: Base-Base interactions energy: -1135.615 where: short stacking energy: -529.477 Base-Backbone interact. energy: -3.563 local terms energy: -644.404959 where: bonds (distance) C4'-P energy: -143.926 bonds (distance) P-C4' energy: -129.603 flat angles C4'-P-C4' energy: -147.761 flat angles P-C4'-P energy: -101.462 tors. eta vs tors. theta energy: -121.654 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: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1289.885298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.885298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.885298 (E_RNA) where: Base-Base interactions energy: -765.974 where: short stacking energy: -365.438 Base-Backbone interact. energy: -1.361 local terms energy: -522.550101 where: bonds (distance) C4'-P energy: -147.552 bonds (distance) P-C4' energy: -157.232 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -73.587 tors. eta vs tors. theta energy: -39.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -924.063469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.063469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.063469 (E_RNA) where: Base-Base interactions energy: -462.982 where: short stacking energy: -269.198 Base-Backbone interact. energy: -3.292 local terms energy: -457.789215 where: bonds (distance) C4'-P energy: -130.900 bonds (distance) P-C4' energy: -123.608 flat angles C4'-P-C4' energy: -137.818 flat angles P-C4'-P energy: -58.453 tors. eta vs tors. theta energy: -7.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2926.280301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.280301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.280301 (E_RNA) where: Base-Base interactions energy: -2021.123 where: short stacking energy: -877.216 Base-Backbone interact. energy: 1.891 local terms energy: -907.048583 where: bonds (distance) C4'-P energy: -164.965 bonds (distance) P-C4' energy: -161.622 flat angles C4'-P-C4' energy: -198.720 flat angles P-C4'-P energy: -136.711 tors. eta vs tors. theta energy: -245.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2865.546734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.546734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.546734 (E_RNA) where: Base-Base interactions energy: -1969.453 where: short stacking energy: -852.298 Base-Backbone interact. energy: -3.886 local terms energy: -892.207436 where: bonds (distance) C4'-P energy: -183.959 bonds (distance) P-C4' energy: -161.507 flat angles C4'-P-C4' energy: -193.089 flat angles P-C4'-P energy: -122.959 tors. eta vs tors. theta energy: -230.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2683.024441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.024441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.024441 (E_RNA) where: Base-Base interactions energy: -1859.112 where: short stacking energy: -802.851 Base-Backbone interact. energy: 1.741 local terms energy: -825.653380 where: bonds (distance) C4'-P energy: -171.486 bonds (distance) P-C4' energy: -165.010 flat angles C4'-P-C4' energy: -166.729 flat angles P-C4'-P energy: -106.641 tors. eta vs tors. theta energy: -215.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2500.703471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.703471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.703471 (E_RNA) where: Base-Base interactions energy: -1684.596 where: short stacking energy: -736.623 Base-Backbone interact. energy: 1.724 local terms energy: -817.831740 where: bonds (distance) C4'-P energy: -151.310 bonds (distance) P-C4' energy: -162.813 flat angles C4'-P-C4' energy: -185.404 flat angles P-C4'-P energy: -114.800 tors. eta vs tors. theta energy: -203.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2435.227773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.227773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.227773 (E_RNA) where: Base-Base interactions energy: -1676.318 where: short stacking energy: -704.014 Base-Backbone interact. energy: -2.651 local terms energy: -756.258686 where: bonds (distance) C4'-P energy: -141.630 bonds (distance) P-C4' energy: -136.532 flat angles C4'-P-C4' energy: -180.168 flat angles P-C4'-P energy: -115.933 tors. eta vs tors. theta energy: -181.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2330.392596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.392596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.392596 (E_RNA) where: Base-Base interactions energy: -1606.006 where: short stacking energy: -668.920 Base-Backbone interact. energy: 1.552 local terms energy: -725.938511 where: bonds (distance) C4'-P energy: -147.607 bonds (distance) P-C4' energy: -155.584 flat angles C4'-P-C4' energy: -160.910 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: -179.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2082.118463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.118463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.118463 (E_RNA) where: Base-Base interactions energy: -1396.465 where: short stacking energy: -629.955 Base-Backbone interact. energy: 2.050 local terms energy: -687.703625 where: bonds (distance) C4'-P energy: -151.807 bonds (distance) P-C4' energy: -160.110 flat angles C4'-P-C4' energy: -139.875 flat angles P-C4'-P energy: -90.915 tors. eta vs tors. theta energy: -144.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1767.254620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.254620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.254620 (E_RNA) where: Base-Base interactions energy: -1175.591 where: short stacking energy: -512.001 Base-Backbone interact. energy: -2.024 local terms energy: -589.638798 where: bonds (distance) C4'-P energy: -135.062 bonds (distance) P-C4' energy: -137.204 flat angles C4'-P-C4' energy: -125.296 flat angles P-C4'-P energy: -87.123 tors. eta vs tors. theta energy: -104.954 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: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1388.004712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.004712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.004712 (E_RNA) where: Base-Base interactions energy: -892.698 where: short stacking energy: -402.676 Base-Backbone interact. energy: -2.319 local terms energy: -492.987102 where: bonds (distance) C4'-P energy: -142.444 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -116.689 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -43.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -976.298479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.298479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.298479 (E_RNA) where: Base-Base interactions energy: -499.146 where: short stacking energy: -277.307 Base-Backbone interact. energy: 1.425 local terms energy: -478.577547 where: bonds (distance) C4'-P energy: -122.567 bonds (distance) P-C4' energy: -124.748 flat angles C4'-P-C4' energy: -126.837 flat angles P-C4'-P energy: -85.547 tors. eta vs tors. theta energy: -18.879 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: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2933.780006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.780006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.780006 (E_RNA) where: Base-Base interactions energy: -2034.029 where: short stacking energy: -896.745 Base-Backbone interact. energy: 0.010 local terms energy: -899.760771 where: bonds (distance) C4'-P energy: -149.504 bonds (distance) P-C4' energy: -173.479 flat angles C4'-P-C4' energy: -196.284 flat angles P-C4'-P energy: -126.239 tors. eta vs tors. theta energy: -254.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2849.582638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.582638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.582638 (E_RNA) where: Base-Base interactions energy: -1969.273 where: short stacking energy: -855.770 Base-Backbone interact. energy: -2.315 local terms energy: -877.994496 where: bonds (distance) C4'-P energy: -159.180 bonds (distance) P-C4' energy: -167.143 flat angles C4'-P-C4' energy: -191.873 flat angles P-C4'-P energy: -131.238 tors. eta vs tors. theta energy: -228.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2704.623240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.623240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.623240 (E_RNA) where: Base-Base interactions energy: -1867.275 where: short stacking energy: -781.193 Base-Backbone interact. energy: -1.938 local terms energy: -835.410139 where: bonds (distance) C4'-P energy: -165.082 bonds (distance) P-C4' energy: -150.479 flat angles C4'-P-C4' energy: -179.216 flat angles P-C4'-P energy: -125.702 tors. eta vs tors. theta energy: -214.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2564.198780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.198780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.198780 (E_RNA) where: Base-Base interactions energy: -1739.041 where: short stacking energy: -771.538 Base-Backbone interact. energy: -3.048 local terms energy: -822.110629 where: bonds (distance) C4'-P energy: -157.084 bonds (distance) P-C4' energy: -158.789 flat angles C4'-P-C4' energy: -181.943 flat angles P-C4'-P energy: -125.155 tors. eta vs tors. theta energy: -199.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2439.074525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.074525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.074525 (E_RNA) where: Base-Base interactions energy: -1681.367 where: short stacking energy: -714.285 Base-Backbone interact. energy: -3.637 local terms energy: -754.070852 where: bonds (distance) C4'-P energy: -160.629 bonds (distance) P-C4' energy: -163.027 flat angles C4'-P-C4' energy: -151.418 flat angles P-C4'-P energy: -99.419 tors. eta vs tors. theta energy: -179.578 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: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2353.750548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.750548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.750548 (E_RNA) where: Base-Base interactions energy: -1678.784 where: short stacking energy: -693.755 Base-Backbone interact. energy: 4.951 local terms energy: -679.917404 where: bonds (distance) C4'-P energy: -138.429 bonds (distance) P-C4' energy: -150.157 flat angles C4'-P-C4' energy: -163.840 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: -151.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2050.990283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.990283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.990283 (E_RNA) where: Base-Base interactions energy: -1388.234 where: short stacking energy: -620.111 Base-Backbone interact. energy: -3.499 local terms energy: -659.256969 where: bonds (distance) C4'-P energy: -148.856 bonds (distance) P-C4' energy: -148.283 flat angles C4'-P-C4' energy: -147.529 flat angles P-C4'-P energy: -87.417 tors. eta vs tors. theta energy: -127.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1767.177180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.177180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.177180 (E_RNA) where: Base-Base interactions energy: -1169.192 where: short stacking energy: -531.851 Base-Backbone interact. energy: 0.093 local terms energy: -598.078700 where: bonds (distance) C4'-P energy: -128.760 bonds (distance) P-C4' energy: -140.543 flat angles C4'-P-C4' energy: -133.823 flat angles P-C4'-P energy: -79.830 tors. eta vs tors. theta energy: -115.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1515.320215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.320215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.320215 (E_RNA) where: Base-Base interactions energy: -949.157 where: short stacking energy: -436.789 Base-Backbone interact. energy: -3.373 local terms energy: -562.789612 where: bonds (distance) C4'-P energy: -123.017 bonds (distance) P-C4' energy: -132.830 flat angles C4'-P-C4' energy: -121.837 flat angles P-C4'-P energy: -89.509 tors. eta vs tors. theta energy: -95.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1062.644199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.644199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.644199 (E_RNA) where: Base-Base interactions energy: -610.529 where: short stacking energy: -325.805 Base-Backbone interact. energy: -1.796 local terms energy: -450.318741 where: bonds (distance) C4'-P energy: -123.915 bonds (distance) P-C4' energy: -115.953 flat angles C4'-P-C4' energy: -140.107 flat angles P-C4'-P energy: -56.496 tors. eta vs tors. theta energy: -13.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2926.964014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.964014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.964014 (E_RNA) where: Base-Base interactions energy: -2012.044 where: short stacking energy: -876.416 Base-Backbone interact. energy: 3.710 local terms energy: -918.629152 where: bonds (distance) C4'-P energy: -178.124 bonds (distance) P-C4' energy: -172.306 flat angles C4'-P-C4' energy: -186.007 flat angles P-C4'-P energy: -127.441 tors. eta vs tors. theta energy: -254.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2862.590971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.590971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.590971 (E_RNA) where: Base-Base interactions energy: -1992.292 where: short stacking energy: -858.840 Base-Backbone interact. energy: -3.689 local terms energy: -866.609812 where: bonds (distance) C4'-P energy: -157.207 bonds (distance) P-C4' energy: -165.104 flat angles C4'-P-C4' energy: -189.182 flat angles P-C4'-P energy: -129.385 tors. eta vs tors. theta energy: -225.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2712.430129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.430129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.430129 (E_RNA) where: Base-Base interactions energy: -1879.849 where: short stacking energy: -808.668 Base-Backbone interact. energy: -4.717 local terms energy: -827.864282 where: bonds (distance) C4'-P energy: -146.692 bonds (distance) P-C4' energy: -158.741 flat angles C4'-P-C4' energy: -179.917 flat angles P-C4'-P energy: -119.326 tors. eta vs tors. theta energy: -223.187 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: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2565.012883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.012883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.012883 (E_RNA) where: Base-Base interactions energy: -1758.637 where: short stacking energy: -767.023 Base-Backbone interact. energy: -0.669 local terms energy: -805.707206 where: bonds (distance) C4'-P energy: -159.563 bonds (distance) P-C4' energy: -141.102 flat angles C4'-P-C4' energy: -171.996 flat angles P-C4'-P energy: -118.574 tors. eta vs tors. theta energy: -214.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2417.190664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.190664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.190664 (E_RNA) where: Base-Base interactions energy: -1678.288 where: short stacking energy: -687.599 Base-Backbone interact. energy: -1.677 local terms energy: -737.226309 where: bonds (distance) C4'-P energy: -131.763 bonds (distance) P-C4' energy: -162.625 flat angles C4'-P-C4' energy: -150.016 flat angles P-C4'-P energy: -116.482 tors. eta vs tors. theta energy: -176.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2292.993675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.993675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.993675 (E_RNA) where: Base-Base interactions energy: -1570.215 where: short stacking energy: -682.821 Base-Backbone interact. energy: -1.746 local terms energy: -721.032547 where: bonds (distance) C4'-P energy: -144.149 bonds (distance) P-C4' energy: -151.138 flat angles C4'-P-C4' energy: -160.803 flat angles P-C4'-P energy: -94.716 tors. eta vs tors. theta energy: -170.227 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: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2080.691459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.691459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.691459 (E_RNA) where: Base-Base interactions energy: -1425.780 where: short stacking energy: -608.863 Base-Backbone interact. energy: -0.763 local terms energy: -654.148333 where: bonds (distance) C4'-P energy: -129.827 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -128.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1702.323086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.323086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.323086 (E_RNA) where: Base-Base interactions energy: -1085.234 where: short stacking energy: -472.808 Base-Backbone interact. energy: -4.505 local terms energy: -612.583358 where: bonds (distance) C4'-P energy: -119.702 bonds (distance) P-C4' energy: -169.025 flat angles C4'-P-C4' energy: -144.596 flat angles P-C4'-P energy: -105.687 tors. eta vs tors. theta energy: -73.573 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1479.103681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.103681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.103681 (E_RNA) where: Base-Base interactions energy: -918.586 where: short stacking energy: -431.523 Base-Backbone interact. energy: -2.007 local terms energy: -558.510743 where: bonds (distance) C4'-P energy: -128.890 bonds (distance) P-C4' energy: -143.624 flat angles C4'-P-C4' energy: -134.895 flat angles P-C4'-P energy: -83.247 tors. eta vs tors. theta energy: -67.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1029.279122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.279122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.279122 (E_RNA) where: Base-Base interactions energy: -582.456 where: short stacking energy: -321.705 Base-Backbone interact. energy: -2.883 local terms energy: -443.940593 where: bonds (distance) C4'-P energy: -119.729 bonds (distance) P-C4' energy: -137.080 flat angles C4'-P-C4' energy: -127.622 flat angles P-C4'-P energy: -55.130 tors. eta vs tors. theta energy: -4.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2929.339116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.339116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.339116 (E_RNA) where: Base-Base interactions energy: -2037.404 where: short stacking energy: -889.039 Base-Backbone interact. energy: 2.544 local terms energy: -894.479429 where: bonds (distance) C4'-P energy: -161.335 bonds (distance) P-C4' energy: -170.488 flat angles C4'-P-C4' energy: -190.672 flat angles P-C4'-P energy: -122.378 tors. eta vs tors. theta energy: -249.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2833.223348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.223348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.223348 (E_RNA) where: Base-Base interactions energy: -1925.690 where: short stacking energy: -828.807 Base-Backbone interact. energy: -1.719 local terms energy: -905.815072 where: bonds (distance) C4'-P energy: -168.059 bonds (distance) P-C4' energy: -159.789 flat angles C4'-P-C4' energy: -203.386 flat angles P-C4'-P energy: -131.100 tors. eta vs tors. theta energy: -243.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2710.545925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.545925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.545925 (E_RNA) where: Base-Base interactions energy: -1858.722 where: short stacking energy: -776.493 Base-Backbone interact. energy: 0.706 local terms energy: -852.530003 where: bonds (distance) C4'-P energy: -163.216 bonds (distance) P-C4' energy: -157.287 flat angles C4'-P-C4' energy: -186.295 flat angles P-C4'-P energy: -129.250 tors. eta vs tors. theta energy: -216.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2524.233127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.233127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.233127 (E_RNA) where: Base-Base interactions energy: -1734.973 where: short stacking energy: -763.051 Base-Backbone interact. energy: -3.707 local terms energy: -785.553129 where: bonds (distance) C4'-P energy: -153.831 bonds (distance) P-C4' energy: -146.675 flat angles C4'-P-C4' energy: -175.938 flat angles P-C4'-P energy: -106.979 tors. eta vs tors. theta energy: -202.130 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: 170 Temperature: 1.100000 Total energy: -2446.712596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.712596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.712596 (E_RNA) where: Base-Base interactions energy: -1715.114 where: short stacking energy: -724.631 Base-Backbone interact. energy: -1.771 local terms energy: -729.827489 where: bonds (distance) C4'-P energy: -138.625 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -164.921 flat angles P-C4'-P energy: -101.012 tors. eta vs tors. theta energy: -176.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2282.533466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.533466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.533466 (E_RNA) where: Base-Base interactions energy: -1584.896 where: short stacking energy: -677.964 Base-Backbone interact. energy: 1.615 local terms energy: -699.252502 where: bonds (distance) C4'-P energy: -164.073 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -141.923 flat angles P-C4'-P energy: -89.130 tors. eta vs tors. theta energy: -156.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1958.519855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.519855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.519855 (E_RNA) where: Base-Base interactions energy: -1342.912 where: short stacking energy: -564.080 Base-Backbone interact. energy: 2.654 local terms energy: -618.261709 where: bonds (distance) C4'-P energy: -137.842 bonds (distance) P-C4' energy: -148.868 flat angles C4'-P-C4' energy: -123.911 flat angles P-C4'-P energy: -100.888 tors. eta vs tors. theta energy: -106.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1782.322481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.322481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.322481 (E_RNA) where: Base-Base interactions energy: -1155.063 where: short stacking energy: -556.388 Base-Backbone interact. energy: 2.144 local terms energy: -629.403273 where: bonds (distance) C4'-P energy: -139.496 bonds (distance) P-C4' energy: -125.674 flat angles C4'-P-C4' energy: -131.513 flat angles P-C4'-P energy: -92.011 tors. eta vs tors. theta energy: -140.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1339.514156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.514156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.514156 (E_RNA) where: Base-Base interactions energy: -811.657 where: short stacking energy: -368.813 Base-Backbone interact. energy: -0.117 local terms energy: -527.740121 where: bonds (distance) C4'-P energy: -140.008 bonds (distance) P-C4' energy: -139.736 flat angles C4'-P-C4' energy: -130.181 flat angles P-C4'-P energy: -78.987 tors. eta vs tors. theta energy: -38.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -966.377318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.377318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.377318 (E_RNA) where: Base-Base interactions energy: -526.253 where: short stacking energy: -309.275 Base-Backbone interact. energy: 2.902 local terms energy: -443.026268 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -130.349 flat angles C4'-P-C4' energy: -123.994 flat angles P-C4'-P energy: -61.904 tors. eta vs tors. theta energy: -15.868 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: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2923.752432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.752432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.752432 (E_RNA) where: Base-Base interactions energy: -2048.265 where: short stacking energy: -866.245 Base-Backbone interact. energy: 1.274 local terms energy: -876.761278 where: bonds (distance) C4'-P energy: -166.901 bonds (distance) P-C4' energy: -156.520 flat angles C4'-P-C4' energy: -187.727 flat angles P-C4'-P energy: -125.512 tors. eta vs tors. theta energy: -240.100 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: 2, replica: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2841.498757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.498757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.498757 (E_RNA) where: Base-Base interactions energy: -1968.386 where: short stacking energy: -859.397 Base-Backbone interact. energy: 0.779 local terms energy: -873.892148 where: bonds (distance) C4'-P energy: -166.900 bonds (distance) P-C4' energy: -146.633 flat angles C4'-P-C4' energy: -190.099 flat angles P-C4'-P energy: -120.992 tors. eta vs tors. theta energy: -249.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2649.967099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.967099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.967099 (E_RNA) where: Base-Base interactions energy: -1814.246 where: short stacking energy: -784.292 Base-Backbone interact. energy: 2.718 local terms energy: -838.439539 where: bonds (distance) C4'-P energy: -169.323 bonds (distance) P-C4' energy: -165.001 flat angles C4'-P-C4' energy: -182.342 flat angles P-C4'-P energy: -104.053 tors. eta vs tors. theta energy: -217.720 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: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2543.608312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.608312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.608312 (E_RNA) where: Base-Base interactions energy: -1696.101 where: short stacking energy: -759.398 Base-Backbone interact. energy: -0.932 local terms energy: -846.576140 where: bonds (distance) C4'-P energy: -155.138 bonds (distance) P-C4' energy: -161.479 flat angles C4'-P-C4' energy: -192.464 flat angles P-C4'-P energy: -118.322 tors. eta vs tors. theta energy: -219.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2475.816093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.816093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.816093 (E_RNA) where: Base-Base interactions energy: -1730.467 where: short stacking energy: -735.028 Base-Backbone interact. energy: -0.302 local terms energy: -745.047778 where: bonds (distance) C4'-P energy: -140.923 bonds (distance) P-C4' energy: -142.066 flat angles C4'-P-C4' energy: -169.609 flat angles P-C4'-P energy: -100.425 tors. eta vs tors. theta energy: -192.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2239.009785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.009785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.009785 (E_RNA) where: Base-Base interactions energy: -1552.317 where: short stacking energy: -657.167 Base-Backbone interact. energy: 0.021 local terms energy: -686.713725 where: bonds (distance) C4'-P energy: -139.308 bonds (distance) P-C4' energy: -141.345 flat angles C4'-P-C4' energy: -144.818 flat angles P-C4'-P energy: -113.029 tors. eta vs tors. theta energy: -148.213 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: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2035.003059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.003059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.003059 (E_RNA) where: Base-Base interactions energy: -1377.142 where: short stacking energy: -598.322 Base-Backbone interact. energy: -2.178 local terms energy: -655.683029 where: bonds (distance) C4'-P energy: -127.886 bonds (distance) P-C4' energy: -142.099 flat angles C4'-P-C4' energy: -161.323 flat angles P-C4'-P energy: -87.934 tors. eta vs tors. theta energy: -136.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1779.972061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.972061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.972061 (E_RNA) where: Base-Base interactions energy: -1163.887 where: short stacking energy: -513.900 Base-Backbone interact. energy: -2.124 local terms energy: -613.961151 where: bonds (distance) C4'-P energy: -125.796 bonds (distance) P-C4' energy: -152.577 flat angles C4'-P-C4' energy: -144.547 flat angles P-C4'-P energy: -96.808 tors. eta vs tors. theta energy: -94.233 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: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1302.483161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.483161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.483161 (E_RNA) where: Base-Base interactions energy: -775.402 where: short stacking energy: -353.278 Base-Backbone interact. energy: 4.857 local terms energy: -531.937508 where: bonds (distance) C4'-P energy: -114.436 bonds (distance) P-C4' energy: -152.302 flat angles C4'-P-C4' energy: -134.629 flat angles P-C4'-P energy: -93.795 tors. eta vs tors. theta energy: -36.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -921.185149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.185149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.185149 (E_RNA) where: Base-Base interactions energy: -491.713 where: short stacking energy: -271.913 Base-Backbone interact. energy: 8.930 local terms energy: -438.402025 where: bonds (distance) C4'-P energy: -141.766 bonds (distance) P-C4' energy: -115.014 flat angles C4'-P-C4' energy: -119.721 flat angles P-C4'-P energy: -61.013 tors. eta vs tors. theta energy: -0.888 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: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2931.092246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.092246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.092246 (E_RNA) where: Base-Base interactions energy: -2036.235 where: short stacking energy: -904.672 Base-Backbone interact. energy: -1.731 local terms energy: -893.125656 where: bonds (distance) C4'-P energy: -152.577 bonds (distance) P-C4' energy: -177.328 flat angles C4'-P-C4' energy: -185.456 flat angles P-C4'-P energy: -117.361 tors. eta vs tors. theta energy: -260.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2852.317192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.317192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.317192 (E_RNA) where: Base-Base interactions energy: -1970.754 where: short stacking energy: -851.505 Base-Backbone interact. energy: -3.617 local terms energy: -877.945784 where: bonds (distance) C4'-P energy: -163.288 bonds (distance) P-C4' energy: -182.221 flat angles C4'-P-C4' energy: -187.019 flat angles P-C4'-P energy: -111.019 tors. eta vs tors. theta energy: -234.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2653.735754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.735754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.735754 (E_RNA) where: Base-Base interactions energy: -1842.610 where: short stacking energy: -805.342 Base-Backbone interact. energy: -3.115 local terms energy: -808.010042 where: bonds (distance) C4'-P energy: -150.777 bonds (distance) P-C4' energy: -153.195 flat angles C4'-P-C4' energy: -183.742 flat angles P-C4'-P energy: -115.598 tors. eta vs tors. theta energy: -204.697 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: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2517.185998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.185998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.185998 (E_RNA) where: Base-Base interactions energy: -1719.024 where: short stacking energy: -754.640 Base-Backbone interact. energy: 0.252 local terms energy: -798.414160 where: bonds (distance) C4'-P energy: -145.294 bonds (distance) P-C4' energy: -162.040 flat angles C4'-P-C4' energy: -173.312 flat angles P-C4'-P energy: -103.220 tors. eta vs tors. theta energy: -214.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2420.989284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.989284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.989284 (E_RNA) where: Base-Base interactions energy: -1676.869 where: short stacking energy: -690.528 Base-Backbone interact. energy: -2.860 local terms energy: -741.260327 where: bonds (distance) C4'-P energy: -147.340 bonds (distance) P-C4' energy: -128.110 flat angles C4'-P-C4' energy: -171.299 flat angles P-C4'-P energy: -110.456 tors. eta vs tors. theta energy: -184.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2321.074671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.074671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.074671 (E_RNA) where: Base-Base interactions energy: -1603.274 where: short stacking energy: -690.002 Base-Backbone interact. energy: -2.758 local terms energy: -715.042601 where: bonds (distance) C4'-P energy: -150.908 bonds (distance) P-C4' energy: -133.890 flat angles C4'-P-C4' energy: -151.755 flat angles P-C4'-P energy: -110.080 tors. eta vs tors. theta energy: -168.409 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: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2052.781305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.781305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.781305 (E_RNA) where: Base-Base interactions energy: -1361.338 where: short stacking energy: -588.461 Base-Backbone interact. energy: -4.413 local terms energy: -687.030296 where: bonds (distance) C4'-P energy: -140.390 bonds (distance) P-C4' energy: -148.051 flat angles C4'-P-C4' energy: -141.207 flat angles P-C4'-P energy: -106.370 tors. eta vs tors. theta energy: -151.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1685.859291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.859291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.859291 (E_RNA) where: Base-Base interactions energy: -1043.742 where: short stacking energy: -511.012 Base-Backbone interact. energy: 0.748 local terms energy: -642.864811 where: bonds (distance) C4'-P energy: -144.398 bonds (distance) P-C4' energy: -146.756 flat angles C4'-P-C4' energy: -152.914 flat angles P-C4'-P energy: -81.257 tors. eta vs tors. theta energy: -117.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1276.332637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.332637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.332637 (E_RNA) where: Base-Base interactions energy: -765.769 where: short stacking energy: -378.942 Base-Backbone interact. energy: -0.746 local terms energy: -509.817298 where: bonds (distance) C4'-P energy: -137.822 bonds (distance) P-C4' energy: -138.694 flat angles C4'-P-C4' energy: -124.882 flat angles P-C4'-P energy: -63.610 tors. eta vs tors. theta energy: -44.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -959.539509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.539509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.539509 (E_RNA) where: Base-Base interactions energy: -507.633 where: short stacking energy: -286.680 Base-Backbone interact. energy: 3.392 local terms energy: -455.298102 where: bonds (distance) C4'-P energy: -127.621 bonds (distance) P-C4' energy: -130.037 flat angles C4'-P-C4' energy: -115.319 flat angles P-C4'-P energy: -58.852 tors. eta vs tors. theta energy: -23.469 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: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2936.040145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.040145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.040145 (E_RNA) where: Base-Base interactions energy: -2022.402 where: short stacking energy: -909.316 Base-Backbone interact. energy: 6.030 local terms energy: -919.668007 where: bonds (distance) C4'-P energy: -158.730 bonds (distance) P-C4' energy: -168.186 flat angles C4'-P-C4' energy: -203.565 flat angles P-C4'-P energy: -132.705 tors. eta vs tors. theta energy: -256.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2815.514556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.514556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.514556 (E_RNA) where: Base-Base interactions energy: -1951.835 where: short stacking energy: -858.821 Base-Backbone interact. energy: -5.169 local terms energy: -858.510242 where: bonds (distance) C4'-P energy: -157.239 bonds (distance) P-C4' energy: -174.670 flat angles C4'-P-C4' energy: -185.867 flat angles P-C4'-P energy: -113.356 tors. eta vs tors. theta energy: -227.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2646.844283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.844283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.844283 (E_RNA) where: Base-Base interactions energy: -1819.582 where: short stacking energy: -790.075 Base-Backbone interact. energy: -0.562 local terms energy: -826.701168 where: bonds (distance) C4'-P energy: -168.581 bonds (distance) P-C4' energy: -160.140 flat angles C4'-P-C4' energy: -178.244 flat angles P-C4'-P energy: -117.661 tors. eta vs tors. theta energy: -202.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2535.582245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.582245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.582245 (E_RNA) where: Base-Base interactions energy: -1764.506 where: short stacking energy: -755.879 Base-Backbone interact. energy: -2.817 local terms energy: -768.259568 where: bonds (distance) C4'-P energy: -140.105 bonds (distance) P-C4' energy: -139.136 flat angles C4'-P-C4' energy: -169.175 flat angles P-C4'-P energy: -114.930 tors. eta vs tors. theta energy: -204.914 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: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2411.911902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.911902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.911902 (E_RNA) where: Base-Base interactions energy: -1652.606 where: short stacking energy: -674.599 Base-Backbone interact. energy: 1.407 local terms energy: -760.713420 where: bonds (distance) C4'-P energy: -155.550 bonds (distance) P-C4' energy: -155.742 flat angles C4'-P-C4' energy: -183.773 flat angles P-C4'-P energy: -109.143 tors. eta vs tors. theta energy: -156.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2294.472755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.472755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.472755 (E_RNA) where: Base-Base interactions energy: -1555.968 where: short stacking energy: -676.822 Base-Backbone interact. energy: -2.677 local terms energy: -735.827224 where: bonds (distance) C4'-P energy: -146.189 bonds (distance) P-C4' energy: -168.760 flat angles C4'-P-C4' energy: -159.270 flat angles P-C4'-P energy: -79.921 tors. eta vs tors. theta energy: -181.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2026.012200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.012200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.012200 (E_RNA) where: Base-Base interactions energy: -1356.518 where: short stacking energy: -579.050 Base-Backbone interact. energy: -4.117 local terms energy: -665.377498 where: bonds (distance) C4'-P energy: -147.001 bonds (distance) P-C4' energy: -135.079 flat angles C4'-P-C4' energy: -157.995 flat angles P-C4'-P energy: -85.225 tors. eta vs tors. theta energy: -140.078 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: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1673.739015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.739015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.739015 (E_RNA) where: Base-Base interactions energy: -1085.515 where: short stacking energy: -497.910 Base-Backbone interact. energy: 4.818 local terms energy: -593.042196 where: bonds (distance) C4'-P energy: -138.754 bonds (distance) P-C4' energy: -138.353 flat angles C4'-P-C4' energy: -148.671 flat angles P-C4'-P energy: -82.027 tors. eta vs tors. theta energy: -85.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1358.958390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.958390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.958390 (E_RNA) where: Base-Base interactions energy: -810.339 where: short stacking energy: -392.745 Base-Backbone interact. energy: -1.284 local terms energy: -547.335460 where: bonds (distance) C4'-P energy: -122.004 bonds (distance) P-C4' energy: -145.558 flat angles C4'-P-C4' energy: -121.577 flat angles P-C4'-P energy: -98.059 tors. eta vs tors. theta energy: -60.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1014.942313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.942313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.942313 (E_RNA) where: Base-Base interactions energy: -554.137 where: short stacking energy: -291.274 Base-Backbone interact. energy: -0.303 local terms energy: -460.502105 where: bonds (distance) C4'-P energy: -138.378 bonds (distance) P-C4' energy: -119.439 flat angles C4'-P-C4' energy: -98.471 flat angles P-C4'-P energy: -84.028 tors. eta vs tors. theta energy: -20.185 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: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2953.107849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.107849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.107849 (E_RNA) where: Base-Base interactions energy: -2034.518 where: short stacking energy: -914.063 Base-Backbone interact. energy: 3.254 local terms energy: -921.843991 where: bonds (distance) C4'-P energy: -166.442 bonds (distance) P-C4' energy: -160.159 flat angles C4'-P-C4' energy: -199.886 flat angles P-C4'-P energy: -128.881 tors. eta vs tors. theta energy: -266.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2834.674301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.674301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.674301 (E_RNA) where: Base-Base interactions energy: -1966.515 where: short stacking energy: -870.949 Base-Backbone interact. energy: -4.344 local terms energy: -863.815970 where: bonds (distance) C4'-P energy: -153.755 bonds (distance) P-C4' energy: -178.364 flat angles C4'-P-C4' energy: -179.008 flat angles P-C4'-P energy: -111.799 tors. eta vs tors. theta energy: -240.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2677.117056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.117056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.117056 (E_RNA) where: Base-Base interactions energy: -1861.622 where: short stacking energy: -795.290 Base-Backbone interact. energy: -2.705 local terms energy: -812.790432 where: bonds (distance) C4'-P energy: -155.096 bonds (distance) P-C4' energy: -153.676 flat angles C4'-P-C4' energy: -167.204 flat angles P-C4'-P energy: -119.011 tors. eta vs tors. theta energy: -217.803 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: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2580.635342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.635342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.635342 (E_RNA) where: Base-Base interactions energy: -1805.903 where: short stacking energy: -793.645 Base-Backbone interact. energy: 3.312 local terms energy: -778.044548 where: bonds (distance) C4'-P energy: -154.239 bonds (distance) P-C4' energy: -158.183 flat angles C4'-P-C4' energy: -162.558 flat angles P-C4'-P energy: -110.745 tors. eta vs tors. theta energy: -192.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2399.980711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.980711 (E_RNA) where: Base-Base interactions energy: -1667.489 where: short stacking energy: -672.522 Base-Backbone interact. energy: 0.589 local terms energy: -733.080999 where: bonds (distance) C4'-P energy: -152.489 bonds (distance) P-C4' energy: -158.730 flat angles C4'-P-C4' energy: -168.751 flat angles P-C4'-P energy: -100.872 tors. eta vs tors. theta energy: -152.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2296.461107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.461107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.461107 (E_RNA) where: Base-Base interactions energy: -1609.075 where: short stacking energy: -716.931 Base-Backbone interact. energy: 8.358 local terms energy: -695.743754 where: bonds (distance) C4'-P energy: -124.279 bonds (distance) P-C4' energy: -142.003 flat angles C4'-P-C4' energy: -175.017 flat angles P-C4'-P energy: -88.729 tors. eta vs tors. theta energy: -165.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2081.987241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.987241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.987241 (E_RNA) where: Base-Base interactions energy: -1428.854 where: short stacking energy: -622.044 Base-Backbone interact. energy: -0.639 local terms energy: -652.494111 where: bonds (distance) C4'-P energy: -138.853 bonds (distance) P-C4' energy: -143.495 flat angles C4'-P-C4' energy: -150.656 flat angles P-C4'-P energy: -67.770 tors. eta vs tors. theta energy: -151.721 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: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1633.756498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.756498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.756498 (E_RNA) where: Base-Base interactions energy: -1008.896 where: short stacking energy: -465.307 Base-Backbone interact. energy: 1.227 local terms energy: -626.087302 where: bonds (distance) C4'-P energy: -148.902 bonds (distance) P-C4' energy: -146.924 flat angles C4'-P-C4' energy: -137.326 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -101.365 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: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1371.437274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.437274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.437274 (E_RNA) where: Base-Base interactions energy: -810.275 where: short stacking energy: -374.645 Base-Backbone interact. energy: -3.264 local terms energy: -557.897992 where: bonds (distance) C4'-P energy: -137.273 bonds (distance) P-C4' energy: -142.403 flat angles C4'-P-C4' energy: -149.302 flat angles P-C4'-P energy: -70.787 tors. eta vs tors. theta energy: -58.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -933.106015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.106015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.106015 (E_RNA) where: Base-Base interactions energy: -479.712 where: short stacking energy: -263.307 Base-Backbone interact. energy: 4.044 local terms energy: -457.438226 where: bonds (distance) C4'-P energy: -111.260 bonds (distance) P-C4' energy: -146.928 flat angles C4'-P-C4' energy: -129.618 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2964.914094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.914094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.914094 (E_RNA) where: Base-Base interactions energy: -2044.279 where: short stacking energy: -931.321 Base-Backbone interact. energy: -1.244 local terms energy: -919.390866 where: bonds (distance) C4'-P energy: -179.226 bonds (distance) P-C4' energy: -176.619 flat angles C4'-P-C4' energy: -192.521 flat angles P-C4'-P energy: -115.162 tors. eta vs tors. theta energy: -255.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2881.049789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.049789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.049789 (E_RNA) where: Base-Base interactions energy: -1984.378 where: short stacking energy: -841.668 Base-Backbone interact. energy: -3.535 local terms energy: -893.136525 where: bonds (distance) C4'-P energy: -170.867 bonds (distance) P-C4' energy: -159.619 flat angles C4'-P-C4' energy: -190.080 flat angles P-C4'-P energy: -124.443 tors. eta vs tors. theta energy: -248.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2650.513333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.513333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.513333 (E_RNA) where: Base-Base interactions energy: -1838.897 where: short stacking energy: -804.827 Base-Backbone interact. energy: -2.381 local terms energy: -809.236033 where: bonds (distance) C4'-P energy: -169.988 bonds (distance) P-C4' energy: -147.178 flat angles C4'-P-C4' energy: -172.574 flat angles P-C4'-P energy: -95.014 tors. eta vs tors. theta energy: -224.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2602.149734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.149734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.149734 (E_RNA) where: Base-Base interactions energy: -1789.955 where: short stacking energy: -770.731 Base-Backbone interact. energy: -4.441 local terms energy: -807.754490 where: bonds (distance) C4'-P energy: -145.059 bonds (distance) P-C4' energy: -155.265 flat angles C4'-P-C4' energy: -188.156 flat angles P-C4'-P energy: -113.412 tors. eta vs tors. theta energy: -205.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2441.158021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.158021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.158021 (E_RNA) where: Base-Base interactions energy: -1732.543 where: short stacking energy: -730.429 Base-Backbone interact. energy: 5.331 local terms energy: -713.945511 where: bonds (distance) C4'-P energy: -163.160 bonds (distance) P-C4' energy: -133.498 flat angles C4'-P-C4' energy: -159.912 flat angles P-C4'-P energy: -83.624 tors. eta vs tors. theta energy: -173.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2281.418306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.418306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.418306 (E_RNA) where: Base-Base interactions energy: -1592.191 where: short stacking energy: -661.897 Base-Backbone interact. energy: -0.957 local terms energy: -688.269930 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -152.948 flat angles C4'-P-C4' energy: -142.313 flat angles P-C4'-P energy: -87.086 tors. eta vs tors. theta energy: -164.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2064.444696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.444696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.444696 (E_RNA) where: Base-Base interactions energy: -1397.471 where: short stacking energy: -599.840 Base-Backbone interact. energy: -4.016 local terms energy: -662.957594 where: bonds (distance) C4'-P energy: -129.458 bonds (distance) P-C4' energy: -143.339 flat angles C4'-P-C4' energy: -148.041 flat angles P-C4'-P energy: -104.593 tors. eta vs tors. theta energy: -137.526 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: 8, replica: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1787.774215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.774215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.774215 (E_RNA) where: Base-Base interactions energy: -1182.312 where: short stacking energy: -513.683 Base-Backbone interact. energy: -0.692 local terms energy: -604.769340 where: bonds (distance) C4'-P energy: -121.026 bonds (distance) P-C4' energy: -154.244 flat angles C4'-P-C4' energy: -170.017 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: -91.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1256.302125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.302125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.302125 (E_RNA) where: Base-Base interactions energy: -793.782 where: short stacking energy: -368.883 Base-Backbone interact. energy: -0.621 local terms energy: -461.899383 where: bonds (distance) C4'-P energy: -113.723 bonds (distance) P-C4' energy: -114.768 flat angles C4'-P-C4' energy: -126.361 flat angles P-C4'-P energy: -89.612 tors. eta vs tors. theta energy: -17.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -987.923778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.923778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.923778 (E_RNA) where: Base-Base interactions energy: -506.208 where: short stacking energy: -287.438 Base-Backbone interact. energy: 5.897 local terms energy: -487.613279 where: bonds (distance) C4'-P energy: -126.368 bonds (distance) P-C4' energy: -147.672 flat angles C4'-P-C4' energy: -114.333 flat angles P-C4'-P energy: -81.013 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: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2931.271305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.271305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.271305 (E_RNA) where: Base-Base interactions energy: -2000.375 where: short stacking energy: -877.157 Base-Backbone interact. energy: -2.793 local terms energy: -928.103403 where: bonds (distance) C4'-P energy: -166.984 bonds (distance) P-C4' energy: -176.516 flat angles C4'-P-C4' energy: -191.028 flat angles P-C4'-P energy: -139.715 tors. eta vs tors. theta energy: -253.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2863.340778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.340778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.340778 (E_RNA) where: Base-Base interactions energy: -1984.884 where: short stacking energy: -853.626 Base-Backbone interact. energy: -4.696 local terms energy: -873.760214 where: bonds (distance) C4'-P energy: -158.428 bonds (distance) P-C4' energy: -165.782 flat angles C4'-P-C4' energy: -195.560 flat angles P-C4'-P energy: -116.104 tors. eta vs tors. theta energy: -237.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2671.450651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.450651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.450651 (E_RNA) where: Base-Base interactions energy: -1824.650 where: short stacking energy: -795.839 Base-Backbone interact. energy: -3.586 local terms energy: -843.214584 where: bonds (distance) C4'-P energy: -162.898 bonds (distance) P-C4' energy: -174.244 flat angles C4'-P-C4' energy: -172.092 flat angles P-C4'-P energy: -114.959 tors. eta vs tors. theta energy: -219.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2645.791840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.791840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.791840 (E_RNA) where: Base-Base interactions energy: -1849.374 where: short stacking energy: -756.494 Base-Backbone interact. energy: -0.251 local terms energy: -796.166940 where: bonds (distance) C4'-P energy: -138.883 bonds (distance) P-C4' energy: -153.448 flat angles C4'-P-C4' energy: -192.145 flat angles P-C4'-P energy: -119.830 tors. eta vs tors. theta energy: -191.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2445.811206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.811206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.811206 (E_RNA) where: Base-Base interactions energy: -1704.860 where: short stacking energy: -719.409 Base-Backbone interact. energy: -1.824 local terms energy: -739.126577 where: bonds (distance) C4'-P energy: -143.278 bonds (distance) P-C4' energy: -130.238 flat angles C4'-P-C4' energy: -168.300 flat angles P-C4'-P energy: -106.241 tors. eta vs tors. theta energy: -191.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2252.541749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.541749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.541749 (E_RNA) where: Base-Base interactions energy: -1537.561 where: short stacking energy: -691.105 Base-Backbone interact. energy: -3.044 local terms energy: -711.937103 where: bonds (distance) C4'-P energy: -145.003 bonds (distance) P-C4' energy: -140.603 flat angles C4'-P-C4' energy: -170.729 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -149.012 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: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2099.585560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.585560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.585560 (E_RNA) where: Base-Base interactions energy: -1428.580 where: short stacking energy: -607.514 Base-Backbone interact. energy: -2.988 local terms energy: -668.017384 where: bonds (distance) C4'-P energy: -134.795 bonds (distance) P-C4' energy: -159.947 flat angles C4'-P-C4' energy: -151.762 flat angles P-C4'-P energy: -93.939 tors. eta vs tors. theta energy: -127.574 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: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1753.003406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.003406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.003406 (E_RNA) where: Base-Base interactions energy: -1116.742 where: short stacking energy: -536.054 Base-Backbone interact. energy: 6.478 local terms energy: -642.739798 where: bonds (distance) C4'-P energy: -128.110 bonds (distance) P-C4' energy: -153.293 flat angles C4'-P-C4' energy: -152.159 flat angles P-C4'-P energy: -98.856 tors. eta vs tors. theta energy: -110.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1282.775066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.775066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.775066 (E_RNA) where: Base-Base interactions energy: -746.164 where: short stacking energy: -372.881 Base-Backbone interact. energy: 1.956 local terms energy: -538.566725 where: bonds (distance) C4'-P energy: -122.487 bonds (distance) P-C4' energy: -143.340 flat angles C4'-P-C4' energy: -127.849 flat angles P-C4'-P energy: -96.850 tors. eta vs tors. theta energy: -48.041 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: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -957.698939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.698939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.698939 (E_RNA) where: Base-Base interactions energy: -520.190 where: short stacking energy: -275.518 Base-Backbone interact. energy: -3.417 local terms energy: -434.091442 where: bonds (distance) C4'-P energy: -111.018 bonds (distance) P-C4' energy: -127.316 flat angles C4'-P-C4' energy: -125.708 flat angles P-C4'-P energy: -73.806 tors. eta vs tors. theta energy: 3.757 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: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2932.391636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.391636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.391636 (E_RNA) where: Base-Base interactions energy: -2041.393 where: short stacking energy: -912.832 Base-Backbone interact. energy: -4.865 local terms energy: -886.133219 where: bonds (distance) C4'-P energy: -149.117 bonds (distance) P-C4' energy: -171.656 flat angles C4'-P-C4' energy: -196.941 flat angles P-C4'-P energy: -121.590 tors. eta vs tors. theta energy: -246.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2837.471509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.471509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.471509 (E_RNA) where: Base-Base interactions energy: -1957.812 where: short stacking energy: -900.696 Base-Backbone interact. energy: -6.679 local terms energy: -872.979951 where: bonds (distance) C4'-P energy: -163.347 bonds (distance) P-C4' energy: -167.866 flat angles C4'-P-C4' energy: -176.790 flat angles P-C4'-P energy: -117.658 tors. eta vs tors. theta energy: -247.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2710.595333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.595333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.595333 (E_RNA) where: Base-Base interactions energy: -1899.111 where: short stacking energy: -803.690 Base-Backbone interact. energy: 1.806 local terms energy: -813.290446 where: bonds (distance) C4'-P energy: -153.806 bonds (distance) P-C4' energy: -156.448 flat angles C4'-P-C4' energy: -165.699 flat angles P-C4'-P energy: -119.450 tors. eta vs tors. theta energy: -217.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2636.711512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.711512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.711512 (E_RNA) where: Base-Base interactions energy: -1843.626 where: short stacking energy: -783.366 Base-Backbone interact. energy: -2.194 local terms energy: -790.891123 where: bonds (distance) C4'-P energy: -145.476 bonds (distance) P-C4' energy: -158.091 flat angles C4'-P-C4' energy: -176.049 flat angles P-C4'-P energy: -106.561 tors. eta vs tors. theta energy: -204.713 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: 177 Temperature: 1.100000 Total energy: -2403.044581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.044581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.044581 (E_RNA) where: Base-Base interactions energy: -1683.649 where: short stacking energy: -716.195 Base-Backbone interact. energy: 0.187 local terms energy: -719.582770 where: bonds (distance) C4'-P energy: -135.297 bonds (distance) P-C4' energy: -152.057 flat angles C4'-P-C4' energy: -162.335 flat angles P-C4'-P energy: -97.543 tors. eta vs tors. theta energy: -172.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2249.378979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.378979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.378979 (E_RNA) where: Base-Base interactions energy: -1550.543 where: short stacking energy: -669.656 Base-Backbone interact. energy: 7.358 local terms energy: -706.193030 where: bonds (distance) C4'-P energy: -125.530 bonds (distance) P-C4' energy: -138.464 flat angles C4'-P-C4' energy: -170.175 flat angles P-C4'-P energy: -108.450 tors. eta vs tors. theta energy: -163.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2114.069617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.069617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.069617 (E_RNA) where: Base-Base interactions energy: -1453.349 where: short stacking energy: -634.920 Base-Backbone interact. energy: -0.348 local terms energy: -660.371893 where: bonds (distance) C4'-P energy: -128.551 bonds (distance) P-C4' energy: -146.086 flat angles C4'-P-C4' energy: -151.066 flat angles P-C4'-P energy: -77.168 tors. eta vs tors. theta energy: -157.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1741.379767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.379767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.379767 (E_RNA) where: Base-Base interactions energy: -1150.678 where: short stacking energy: -527.116 Base-Backbone interact. energy: -1.143 local terms energy: -589.558227 where: bonds (distance) C4'-P energy: -108.979 bonds (distance) P-C4' energy: -148.893 flat angles C4'-P-C4' energy: -142.416 flat angles P-C4'-P energy: -93.585 tors. eta vs tors. theta energy: -95.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1368.313696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.313696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.313696 (E_RNA) where: Base-Base interactions energy: -841.962 where: short stacking energy: -401.203 Base-Backbone interact. energy: -0.388 local terms energy: -525.964034 where: bonds (distance) C4'-P energy: -117.257 bonds (distance) P-C4' energy: -135.801 flat angles C4'-P-C4' energy: -127.901 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -72.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -969.195656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.195656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.195656 (E_RNA) where: Base-Base interactions energy: -479.219 where: short stacking energy: -283.653 Base-Backbone interact. energy: -1.053 local terms energy: -488.924017 where: bonds (distance) C4'-P energy: -135.055 bonds (distance) P-C4' energy: -136.891 flat angles C4'-P-C4' energy: -124.907 flat angles P-C4'-P energy: -81.875 tors. eta vs tors. theta energy: -10.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2946.985844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.985844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.985844 (E_RNA) where: Base-Base interactions energy: -2013.398 where: short stacking energy: -905.115 Base-Backbone interact. energy: -1.980 local terms energy: -931.607425 where: bonds (distance) C4'-P energy: -160.101 bonds (distance) P-C4' energy: -160.036 flat angles C4'-P-C4' energy: -198.639 flat angles P-C4'-P energy: -139.424 tors. eta vs tors. theta energy: -273.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2831.895633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.895633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.895633 (E_RNA) where: Base-Base interactions energy: -1953.903 where: short stacking energy: -846.941 Base-Backbone interact. energy: -6.242 local terms energy: -871.750035 where: bonds (distance) C4'-P energy: -165.233 bonds (distance) P-C4' energy: -174.726 flat angles C4'-P-C4' energy: -187.031 flat angles P-C4'-P energy: -117.402 tors. eta vs tors. theta energy: -227.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2711.031664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.031664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.031664 (E_RNA) where: Base-Base interactions energy: -1878.089 where: short stacking energy: -798.857 Base-Backbone interact. energy: -6.276 local terms energy: -826.666430 where: bonds (distance) C4'-P energy: -161.532 bonds (distance) P-C4' energy: -165.969 flat angles C4'-P-C4' energy: -177.343 flat angles P-C4'-P energy: -110.562 tors. eta vs tors. theta energy: -211.260 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: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2610.186024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.186024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.186024 (E_RNA) where: Base-Base interactions energy: -1816.925 where: short stacking energy: -779.166 Base-Backbone interact. energy: 0.334 local terms energy: -793.595129 where: bonds (distance) C4'-P energy: -151.696 bonds (distance) P-C4' energy: -153.303 flat angles C4'-P-C4' energy: -177.415 flat angles P-C4'-P energy: -112.394 tors. eta vs tors. theta energy: -198.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2462.999487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.999487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.999487 (E_RNA) where: Base-Base interactions energy: -1668.973 where: short stacking energy: -730.785 Base-Backbone interact. energy: 0.016 local terms energy: -794.042000 where: bonds (distance) C4'-P energy: -152.653 bonds (distance) P-C4' energy: -158.148 flat angles C4'-P-C4' energy: -165.582 flat angles P-C4'-P energy: -120.587 tors. eta vs tors. theta energy: -197.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2193.301904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.301904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.301904 (E_RNA) where: Base-Base interactions energy: -1486.481 where: short stacking energy: -643.070 Base-Backbone interact. energy: 2.146 local terms energy: -708.967199 where: bonds (distance) C4'-P energy: -129.901 bonds (distance) P-C4' energy: -151.857 flat angles C4'-P-C4' energy: -176.282 flat angles P-C4'-P energy: -92.341 tors. eta vs tors. theta energy: -158.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2079.272346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.272346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.272346 (E_RNA) where: Base-Base interactions energy: -1391.782 where: short stacking energy: -618.093 Base-Backbone interact. energy: -1.885 local terms energy: -685.605337 where: bonds (distance) C4'-P energy: -133.785 bonds (distance) P-C4' energy: -135.335 flat angles C4'-P-C4' energy: -164.186 flat angles P-C4'-P energy: -100.898 tors. eta vs tors. theta energy: -151.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1671.056691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.056691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.056691 (E_RNA) where: Base-Base interactions energy: -1058.316 where: short stacking energy: -487.800 Base-Backbone interact. energy: -4.206 local terms energy: -608.534621 where: bonds (distance) C4'-P energy: -131.634 bonds (distance) P-C4' energy: -142.538 flat angles C4'-P-C4' energy: -135.067 flat angles P-C4'-P energy: -100.351 tors. eta vs tors. theta energy: -98.945 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: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1400.800182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.800182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.800182 (E_RNA) where: Base-Base interactions energy: -902.052 where: short stacking energy: -418.038 Base-Backbone interact. energy: 8.024 local terms energy: -506.772625 where: bonds (distance) C4'-P energy: -142.553 bonds (distance) P-C4' energy: -143.550 flat angles C4'-P-C4' energy: -102.315 flat angles P-C4'-P energy: -58.580 tors. eta vs tors. theta energy: -59.774 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: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -960.826532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.826532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.826532 (E_RNA) where: Base-Base interactions energy: -500.136 where: short stacking energy: -279.164 Base-Backbone interact. energy: -1.287 local terms energy: -459.403765 where: bonds (distance) C4'-P energy: -123.627 bonds (distance) P-C4' energy: -136.404 flat angles C4'-P-C4' energy: -106.702 flat angles P-C4'-P energy: -92.555 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2940.128995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.128995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.128995 (E_RNA) where: Base-Base interactions energy: -2020.296 where: short stacking energy: -908.383 Base-Backbone interact. energy: 3.559 local terms energy: -923.392726 where: bonds (distance) C4'-P energy: -176.263 bonds (distance) P-C4' energy: -174.683 flat angles C4'-P-C4' energy: -197.308 flat angles P-C4'-P energy: -118.781 tors. eta vs tors. theta energy: -256.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2864.504946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.504946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.504946 (E_RNA) where: Base-Base interactions energy: -1980.100 where: short stacking energy: -881.466 Base-Backbone interact. energy: -1.722 local terms energy: -882.682674 where: bonds (distance) C4'-P energy: -160.031 bonds (distance) P-C4' energy: -163.018 flat angles C4'-P-C4' energy: -189.802 flat angles P-C4'-P energy: -130.621 tors. eta vs tors. theta energy: -239.212 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: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2764.877014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.877014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.877014 (E_RNA) where: Base-Base interactions energy: -1936.076 where: short stacking energy: -827.728 Base-Backbone interact. energy: -3.060 local terms energy: -825.740223 where: bonds (distance) C4'-P energy: -154.729 bonds (distance) P-C4' energy: -148.223 flat angles C4'-P-C4' energy: -185.557 flat angles P-C4'-P energy: -111.624 tors. eta vs tors. theta energy: -225.608 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: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2605.910181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.910181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.910181 (E_RNA) where: Base-Base interactions energy: -1829.053 where: short stacking energy: -779.730 Base-Backbone interact. energy: -0.904 local terms energy: -775.953175 where: bonds (distance) C4'-P energy: -134.325 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -164.966 flat angles P-C4'-P energy: -121.801 tors. eta vs tors. theta energy: -197.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2442.165488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.165488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.165488 (E_RNA) where: Base-Base interactions energy: -1701.694 where: short stacking energy: -701.159 Base-Backbone interact. energy: -1.834 local terms energy: -738.638043 where: bonds (distance) C4'-P energy: -143.287 bonds (distance) P-C4' energy: -151.034 flat angles C4'-P-C4' energy: -160.359 flat angles P-C4'-P energy: -99.551 tors. eta vs tors. theta energy: -184.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2162.185778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.185778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.185778 (E_RNA) where: Base-Base interactions energy: -1474.708 where: short stacking energy: -621.123 Base-Backbone interact. energy: 0.580 local terms energy: -688.057061 where: bonds (distance) C4'-P energy: -125.499 bonds (distance) P-C4' energy: -150.616 flat angles C4'-P-C4' energy: -161.805 flat angles P-C4'-P energy: -93.951 tors. eta vs tors. theta energy: -156.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2087.122475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.122475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.122475 (E_RNA) where: Base-Base interactions energy: -1408.327 where: short stacking energy: -605.613 Base-Backbone interact. energy: -0.323 local terms energy: -678.472524 where: bonds (distance) C4'-P energy: -142.479 bonds (distance) P-C4' energy: -143.656 flat angles C4'-P-C4' energy: -168.074 flat angles P-C4'-P energy: -94.862 tors. eta vs tors. theta energy: -129.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1724.400424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.400424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.400424 (E_RNA) where: Base-Base interactions energy: -1095.341 where: short stacking energy: -500.356 Base-Backbone interact. energy: -0.415 local terms energy: -628.643727 where: bonds (distance) C4'-P energy: -129.221 bonds (distance) P-C4' energy: -154.854 flat angles C4'-P-C4' energy: -130.141 flat angles P-C4'-P energy: -106.458 tors. eta vs tors. theta energy: -107.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1430.158880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.158880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.158880 (E_RNA) where: Base-Base interactions energy: -891.014 where: short stacking energy: -403.411 Base-Backbone interact. energy: 6.007 local terms energy: -545.151420 where: bonds (distance) C4'-P energy: -140.237 bonds (distance) P-C4' energy: -141.702 flat angles C4'-P-C4' energy: -140.108 flat angles P-C4'-P energy: -83.244 tors. eta vs tors. theta energy: -39.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -969.350945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.350945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.350945 (E_RNA) where: Base-Base interactions energy: -515.314 where: short stacking energy: -285.932 Base-Backbone interact. energy: 1.150 local terms energy: -455.186255 where: bonds (distance) C4'-P energy: -142.559 bonds (distance) P-C4' energy: -121.265 flat angles C4'-P-C4' energy: -121.598 flat angles P-C4'-P energy: -65.081 tors. eta vs tors. theta energy: -4.683 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: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2925.902173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.902173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.902173 (E_RNA) where: Base-Base interactions energy: -2022.997 where: short stacking energy: -903.444 Base-Backbone interact. energy: -5.166 local terms energy: -897.738798 where: bonds (distance) C4'-P energy: -176.670 bonds (distance) P-C4' energy: -161.406 flat angles C4'-P-C4' energy: -190.199 flat angles P-C4'-P energy: -123.391 tors. eta vs tors. theta energy: -246.073 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: 180 Temperature: 0.950000 Total energy: -2845.403627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.403627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.403627 (E_RNA) where: Base-Base interactions energy: -1957.492 where: short stacking energy: -864.710 Base-Backbone interact. energy: -2.312 local terms energy: -885.600425 where: bonds (distance) C4'-P energy: -165.924 bonds (distance) P-C4' energy: -175.376 flat angles C4'-P-C4' energy: -185.970 flat angles P-C4'-P energy: -120.141 tors. eta vs tors. theta energy: -238.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2758.464957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.464957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.464957 (E_RNA) where: Base-Base interactions energy: -1888.537 where: short stacking energy: -801.754 Base-Backbone interact. energy: -7.138 local terms energy: -862.789948 where: bonds (distance) C4'-P energy: -165.907 bonds (distance) P-C4' energy: -168.687 flat angles C4'-P-C4' energy: -193.900 flat angles P-C4'-P energy: -109.316 tors. eta vs tors. theta energy: -224.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2609.357011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.357011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.357011 (E_RNA) where: Base-Base interactions energy: -1794.817 where: short stacking energy: -777.152 Base-Backbone interact. energy: 1.126 local terms energy: -815.666175 where: bonds (distance) C4'-P energy: -163.679 bonds (distance) P-C4' energy: -167.776 flat angles C4'-P-C4' energy: -165.555 flat angles P-C4'-P energy: -106.398 tors. eta vs tors. theta energy: -212.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2452.823622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.823622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.823622 (E_RNA) where: Base-Base interactions energy: -1696.492 where: short stacking energy: -699.801 Base-Backbone interact. energy: -4.703 local terms energy: -751.629194 where: bonds (distance) C4'-P energy: -140.912 bonds (distance) P-C4' energy: -146.459 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -194.153 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: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2179.075822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.075822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.075822 (E_RNA) where: Base-Base interactions energy: -1476.888 where: short stacking energy: -661.813 Base-Backbone interact. energy: -1.868 local terms energy: -700.320395 where: bonds (distance) C4'-P energy: -145.701 bonds (distance) P-C4' energy: -149.087 flat angles C4'-P-C4' energy: -162.777 flat angles P-C4'-P energy: -87.785 tors. eta vs tors. theta energy: -154.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2061.711147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.711147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.711147 (E_RNA) where: Base-Base interactions energy: -1383.411 where: short stacking energy: -604.022 Base-Backbone interact. energy: 0.056 local terms energy: -678.356364 where: bonds (distance) C4'-P energy: -132.167 bonds (distance) P-C4' energy: -136.650 flat angles C4'-P-C4' energy: -163.358 flat angles P-C4'-P energy: -99.248 tors. eta vs tors. theta energy: -146.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1744.094931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.094931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.094931 (E_RNA) where: Base-Base interactions energy: -1117.997 where: short stacking energy: -529.161 Base-Backbone interact. energy: -0.888 local terms energy: -625.210171 where: bonds (distance) C4'-P energy: -143.923 bonds (distance) P-C4' energy: -140.816 flat angles C4'-P-C4' energy: -140.911 flat angles P-C4'-P energy: -84.401 tors. eta vs tors. theta energy: -115.160 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: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1456.557170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.557170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.557170 (E_RNA) where: Base-Base interactions energy: -911.452 where: short stacking energy: -403.124 Base-Backbone interact. energy: 2.756 local terms energy: -547.860990 where: bonds (distance) C4'-P energy: -126.646 bonds (distance) P-C4' energy: -136.561 flat angles C4'-P-C4' energy: -137.830 flat angles P-C4'-P energy: -82.870 tors. eta vs tors. theta energy: -63.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -982.357078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.357078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.357078 (E_RNA) where: Base-Base interactions energy: -518.071 where: short stacking energy: -261.963 Base-Backbone interact. energy: -0.813 local terms energy: -463.473879 where: bonds (distance) C4'-P energy: -128.250 bonds (distance) P-C4' energy: -131.591 flat angles C4'-P-C4' energy: -124.878 flat angles P-C4'-P energy: -57.375 tors. eta vs tors. theta energy: -21.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2930.377896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.377896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.377896 (E_RNA) where: Base-Base interactions energy: -2016.138 where: short stacking energy: -901.247 Base-Backbone interact. energy: 2.789 local terms energy: -917.028690 where: bonds (distance) C4'-P energy: -173.123 bonds (distance) P-C4' energy: -172.891 flat angles C4'-P-C4' energy: -201.869 flat angles P-C4'-P energy: -121.196 tors. eta vs tors. theta energy: -247.950 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: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2848.636819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.636819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.636819 (E_RNA) where: Base-Base interactions energy: -1968.582 where: short stacking energy: -850.327 Base-Backbone interact. energy: -4.728 local terms energy: -875.327282 where: bonds (distance) C4'-P energy: -158.117 bonds (distance) P-C4' energy: -160.144 flat angles C4'-P-C4' energy: -196.536 flat angles P-C4'-P energy: -124.361 tors. eta vs tors. theta energy: -236.169 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: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2685.094117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.094117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.094117 (E_RNA) where: Base-Base interactions energy: -1870.742 where: short stacking energy: -780.286 Base-Backbone interact. energy: -4.025 local terms energy: -810.327624 where: bonds (distance) C4'-P energy: -167.432 bonds (distance) P-C4' energy: -150.669 flat angles C4'-P-C4' energy: -189.370 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -195.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2582.616910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.616910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.616910 (E_RNA) where: Base-Base interactions energy: -1796.008 where: short stacking energy: -792.066 Base-Backbone interact. energy: -2.877 local terms energy: -783.732041 where: bonds (distance) C4'-P energy: -156.588 bonds (distance) P-C4' energy: -148.056 flat angles C4'-P-C4' energy: -181.924 flat angles P-C4'-P energy: -87.882 tors. eta vs tors. theta energy: -209.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2413.612124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.612124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.612124 (E_RNA) where: Base-Base interactions energy: -1662.953 where: short stacking energy: -729.770 Base-Backbone interact. energy: -5.205 local terms energy: -745.454351 where: bonds (distance) C4'-P energy: -152.689 bonds (distance) P-C4' energy: -150.857 flat angles C4'-P-C4' energy: -151.400 flat angles P-C4'-P energy: -102.043 tors. eta vs tors. theta energy: -188.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2152.061947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.061947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.061947 (E_RNA) where: Base-Base interactions energy: -1465.384 where: short stacking energy: -637.005 Base-Backbone interact. energy: -1.482 local terms energy: -685.196042 where: bonds (distance) C4'-P energy: -131.762 bonds (distance) P-C4' energy: -145.792 flat angles C4'-P-C4' energy: -167.039 flat angles P-C4'-P energy: -95.121 tors. eta vs tors. theta energy: -145.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2084.374757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.374757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.374757 (E_RNA) where: Base-Base interactions energy: -1401.965 where: short stacking energy: -629.156 Base-Backbone interact. energy: -2.115 local terms energy: -680.294715 where: bonds (distance) C4'-P energy: -137.342 bonds (distance) P-C4' energy: -142.788 flat angles C4'-P-C4' energy: -154.543 flat angles P-C4'-P energy: -96.973 tors. eta vs tors. theta energy: -148.649 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: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1835.202505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.202505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.202505 (E_RNA) where: Base-Base interactions energy: -1202.978 where: short stacking energy: -548.659 Base-Backbone interact. energy: 1.859 local terms energy: -634.083753 where: bonds (distance) C4'-P energy: -133.786 bonds (distance) P-C4' energy: -152.579 flat angles C4'-P-C4' energy: -137.728 flat angles P-C4'-P energy: -92.563 tors. eta vs tors. theta energy: -117.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1413.343234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.343234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.343234 (E_RNA) where: Base-Base interactions energy: -870.059 where: short stacking energy: -418.358 Base-Backbone interact. energy: 2.144 local terms energy: -545.428476 where: bonds (distance) C4'-P energy: -135.525 bonds (distance) P-C4' energy: -132.717 flat angles C4'-P-C4' energy: -147.382 flat angles P-C4'-P energy: -68.716 tors. eta vs tors. theta energy: -61.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -889.029766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.029766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.029766 (E_RNA) where: Base-Base interactions energy: -470.381 where: short stacking energy: -267.389 Base-Backbone interact. energy: 0.336 local terms energy: -418.984930 where: bonds (distance) C4'-P energy: -125.681 bonds (distance) P-C4' energy: -136.254 flat angles C4'-P-C4' energy: -112.343 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: 1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2893.365865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.365865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.365865 (E_RNA) where: Base-Base interactions energy: -1979.139 where: short stacking energy: -894.008 Base-Backbone interact. energy: 0.498 local terms energy: -914.724798 where: bonds (distance) C4'-P energy: -181.092 bonds (distance) P-C4' energy: -156.039 flat angles C4'-P-C4' energy: -197.223 flat angles P-C4'-P energy: -126.859 tors. eta vs tors. theta energy: -253.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2841.178772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.178772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.178772 (E_RNA) where: Base-Base interactions energy: -2001.734 where: short stacking energy: -853.605 Base-Backbone interact. energy: -2.152 local terms energy: -837.293337 where: bonds (distance) C4'-P energy: -162.662 bonds (distance) P-C4' energy: -159.922 flat angles C4'-P-C4' energy: -189.188 flat angles P-C4'-P energy: -100.132 tors. eta vs tors. theta energy: -225.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2706.419029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.419029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.419029 (E_RNA) where: Base-Base interactions energy: -1869.116 where: short stacking energy: -792.656 Base-Backbone interact. energy: -0.712 local terms energy: -836.591276 where: bonds (distance) C4'-P energy: -155.094 bonds (distance) P-C4' energy: -170.695 flat angles C4'-P-C4' energy: -181.860 flat angles P-C4'-P energy: -121.207 tors. eta vs tors. theta energy: -207.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2629.104338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.104338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.104338 (E_RNA) where: Base-Base interactions energy: -1829.072 where: short stacking energy: -802.335 Base-Backbone interact. energy: 1.138 local terms energy: -801.170192 where: bonds (distance) C4'-P energy: -139.857 bonds (distance) P-C4' energy: -153.746 flat angles C4'-P-C4' energy: -178.531 flat angles P-C4'-P energy: -121.020 tors. eta vs tors. theta energy: -208.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2386.620840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.620840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.620840 (E_RNA) where: Base-Base interactions energy: -1668.736 where: short stacking energy: -708.741 Base-Backbone interact. energy: -3.468 local terms energy: -714.416905 where: bonds (distance) C4'-P energy: -146.151 bonds (distance) P-C4' energy: -141.395 flat angles C4'-P-C4' energy: -161.903 flat angles P-C4'-P energy: -90.262 tors. eta vs tors. theta energy: -174.706 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: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2171.939787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.939787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.939787 (E_RNA) where: Base-Base interactions energy: -1483.157 where: short stacking energy: -635.024 Base-Backbone interact. energy: -1.048 local terms energy: -687.735543 where: bonds (distance) C4'-P energy: -142.276 bonds (distance) P-C4' energy: -129.471 flat angles C4'-P-C4' energy: -153.054 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -164.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2177.515136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.515136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.515136 (E_RNA) where: Base-Base interactions energy: -1473.331 where: short stacking energy: -644.838 Base-Backbone interact. energy: -2.947 local terms energy: -701.236394 where: bonds (distance) C4'-P energy: -146.356 bonds (distance) P-C4' energy: -142.652 flat angles C4'-P-C4' energy: -155.701 flat angles P-C4'-P energy: -95.714 tors. eta vs tors. theta energy: -160.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1816.375025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.375025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.375025 (E_RNA) where: Base-Base interactions energy: -1207.702 where: short stacking energy: -520.271 Base-Backbone interact. energy: -1.089 local terms energy: -607.584118 where: bonds (distance) C4'-P energy: -125.553 bonds (distance) P-C4' energy: -139.215 flat angles C4'-P-C4' energy: -148.651 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -111.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1388.963168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.963168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.963168 (E_RNA) where: Base-Base interactions energy: -831.073 where: short stacking energy: -381.940 Base-Backbone interact. energy: 1.172 local terms energy: -559.062545 where: bonds (distance) C4'-P energy: -147.972 bonds (distance) P-C4' energy: -161.704 flat angles C4'-P-C4' energy: -157.551 flat angles P-C4'-P energy: -55.579 tors. eta vs tors. theta energy: -36.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -998.146698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.146698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.146698 (E_RNA) where: Base-Base interactions energy: -520.925 where: short stacking energy: -273.350 Base-Backbone interact. energy: 7.317 local terms energy: -484.538520 where: bonds (distance) C4'-P energy: -139.069 bonds (distance) P-C4' energy: -137.373 flat angles C4'-P-C4' energy: -126.228 flat angles P-C4'-P energy: -78.241 tors. eta vs tors. theta energy: -3.627 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: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2953.863930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.863930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.863930 (E_RNA) where: Base-Base interactions energy: -2054.578 where: short stacking energy: -921.939 Base-Backbone interact. energy: -0.579 local terms energy: -898.706210 where: bonds (distance) C4'-P energy: -169.172 bonds (distance) P-C4' energy: -145.575 flat angles C4'-P-C4' energy: -193.130 flat angles P-C4'-P energy: -128.774 tors. eta vs tors. theta energy: -262.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2836.859717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.859717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.859717 (E_RNA) where: Base-Base interactions energy: -1992.835 where: short stacking energy: -818.079 Base-Backbone interact. energy: 0.451 local terms energy: -844.474956 where: bonds (distance) C4'-P energy: -155.827 bonds (distance) P-C4' energy: -158.806 flat angles C4'-P-C4' energy: -179.468 flat angles P-C4'-P energy: -123.011 tors. eta vs tors. theta energy: -227.363 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: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2678.774374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.774374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.774374 (E_RNA) where: Base-Base interactions energy: -1878.039 where: short stacking energy: -799.000 Base-Backbone interact. energy: -5.134 local terms energy: -795.601248 where: bonds (distance) C4'-P energy: -142.208 bonds (distance) P-C4' energy: -169.396 flat angles C4'-P-C4' energy: -163.677 flat angles P-C4'-P energy: -116.666 tors. eta vs tors. theta energy: -203.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2681.430964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.430964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.430964 (E_RNA) where: Base-Base interactions energy: -1861.436 where: short stacking energy: -799.414 Base-Backbone interact. energy: -1.609 local terms energy: -818.385546 where: bonds (distance) C4'-P energy: -161.157 bonds (distance) P-C4' energy: -132.715 flat angles C4'-P-C4' energy: -179.923 flat angles P-C4'-P energy: -131.039 tors. eta vs tors. theta energy: -213.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2442.671157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.671157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.671157 (E_RNA) where: Base-Base interactions energy: -1690.949 where: short stacking energy: -704.086 Base-Backbone interact. energy: -0.723 local terms energy: -750.999271 where: bonds (distance) C4'-P energy: -134.915 bonds (distance) P-C4' energy: -167.994 flat angles C4'-P-C4' energy: -168.502 flat angles P-C4'-P energy: -102.675 tors. eta vs tors. theta energy: -176.914 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: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2158.203502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.203502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.203502 (E_RNA) where: Base-Base interactions energy: -1433.408 where: short stacking energy: -651.030 Base-Backbone interact. energy: 3.320 local terms energy: -728.115515 where: bonds (distance) C4'-P energy: -152.929 bonds (distance) P-C4' energy: -160.384 flat angles C4'-P-C4' energy: -159.152 flat angles P-C4'-P energy: -99.646 tors. eta vs tors. theta energy: -156.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2114.622865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.622865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.622865 (E_RNA) where: Base-Base interactions energy: -1419.992 where: short stacking energy: -611.161 Base-Backbone interact. energy: -2.653 local terms energy: -691.978367 where: bonds (distance) C4'-P energy: -145.521 bonds (distance) P-C4' energy: -135.382 flat angles C4'-P-C4' energy: -145.012 flat angles P-C4'-P energy: -97.929 tors. eta vs tors. theta energy: -168.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1766.583470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.583470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.583470 (E_RNA) where: Base-Base interactions energy: -1138.054 where: short stacking energy: -539.630 Base-Backbone interact. energy: 0.958 local terms energy: -629.487646 where: bonds (distance) C4'-P energy: -127.949 bonds (distance) P-C4' energy: -125.241 flat angles C4'-P-C4' energy: -138.738 flat angles P-C4'-P energy: -112.953 tors. eta vs tors. theta energy: -124.605 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1378.254195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.254195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.254195 (E_RNA) where: Base-Base interactions energy: -863.036 where: short stacking energy: -398.056 Base-Backbone interact. energy: -0.238 local terms energy: -514.980443 where: bonds (distance) C4'-P energy: -118.929 bonds (distance) P-C4' energy: -152.146 flat angles C4'-P-C4' energy: -113.713 flat angles P-C4'-P energy: -80.499 tors. eta vs tors. theta energy: -49.694 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: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -838.097344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.097344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.097344 (E_RNA) where: Base-Base interactions energy: -382.365 where: short stacking energy: -257.661 Base-Backbone interact. energy: 0.198 local terms energy: -455.930796 where: bonds (distance) C4'-P energy: -136.401 bonds (distance) P-C4' energy: -133.220 flat angles C4'-P-C4' energy: -118.116 flat angles P-C4'-P energy: -64.328 tors. eta vs tors. theta energy: -3.866 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: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2919.915946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.915946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.915946 (E_RNA) where: Base-Base interactions energy: -2011.820 where: short stacking energy: -901.735 Base-Backbone interact. energy: -3.299 local terms energy: -904.797299 where: bonds (distance) C4'-P energy: -162.575 bonds (distance) P-C4' energy: -155.355 flat angles C4'-P-C4' energy: -202.521 flat angles P-C4'-P energy: -125.274 tors. eta vs tors. theta energy: -259.072 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: 184 Temperature: 0.950000 Total energy: -2840.852024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.852024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.852024 (E_RNA) where: Base-Base interactions energy: -2014.878 where: short stacking energy: -836.990 Base-Backbone interact. energy: -1.435 local terms energy: -824.539708 where: bonds (distance) C4'-P energy: -183.760 bonds (distance) P-C4' energy: -155.444 flat angles C4'-P-C4' energy: -168.845 flat angles P-C4'-P energy: -109.793 tors. eta vs tors. theta energy: -206.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2609.089039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.089039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.089039 (E_RNA) where: Base-Base interactions energy: -1826.990 where: short stacking energy: -785.012 Base-Backbone interact. energy: -3.302 local terms energy: -778.796500 where: bonds (distance) C4'-P energy: -164.508 bonds (distance) P-C4' energy: -156.407 flat angles C4'-P-C4' energy: -173.187 flat angles P-C4'-P energy: -91.012 tors. eta vs tors. theta energy: -193.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2599.778769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.778769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.778769 (E_RNA) where: Base-Base interactions energy: -1772.091 where: short stacking energy: -762.357 Base-Backbone interact. energy: -1.240 local terms energy: -826.448143 where: bonds (distance) C4'-P energy: -163.373 bonds (distance) P-C4' energy: -167.785 flat angles C4'-P-C4' energy: -176.639 flat angles P-C4'-P energy: -109.259 tors. eta vs tors. theta energy: -209.392 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: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2456.770730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.770730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.770730 (E_RNA) where: Base-Base interactions energy: -1682.527 where: short stacking energy: -734.638 Base-Backbone interact. energy: -0.437 local terms energy: -773.806115 where: bonds (distance) C4'-P energy: -129.032 bonds (distance) P-C4' energy: -174.248 flat angles C4'-P-C4' energy: -168.880 flat angles P-C4'-P energy: -116.874 tors. eta vs tors. theta energy: -184.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2149.248627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.248627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.248627 (E_RNA) where: Base-Base interactions energy: -1448.266 where: short stacking energy: -634.930 Base-Backbone interact. energy: 2.996 local terms energy: -703.977789 where: bonds (distance) C4'-P energy: -144.736 bonds (distance) P-C4' energy: -153.628 flat angles C4'-P-C4' energy: -166.941 flat angles P-C4'-P energy: -99.953 tors. eta vs tors. theta energy: -138.720 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: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2125.181010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.181010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.181010 (E_RNA) where: Base-Base interactions energy: -1422.251 where: short stacking energy: -605.471 Base-Backbone interact. energy: 2.749 local terms energy: -705.679654 where: bonds (distance) C4'-P energy: -150.158 bonds (distance) P-C4' energy: -156.320 flat angles C4'-P-C4' energy: -155.846 flat angles P-C4'-P energy: -102.967 tors. eta vs tors. theta energy: -140.389 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: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1739.507280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.507280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.507280 (E_RNA) where: Base-Base interactions energy: -1125.961 where: short stacking energy: -508.770 Base-Backbone interact. energy: -2.541 local terms energy: -611.005777 where: bonds (distance) C4'-P energy: -131.610 bonds (distance) P-C4' energy: -147.597 flat angles C4'-P-C4' energy: -122.490 flat angles P-C4'-P energy: -108.917 tors. eta vs tors. theta energy: -100.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1402.957434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.957434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.957434 (E_RNA) where: Base-Base interactions energy: -812.646 where: short stacking energy: -401.418 Base-Backbone interact. energy: -0.030 local terms energy: -590.281301 where: bonds (distance) C4'-P energy: -140.880 bonds (distance) P-C4' energy: -142.175 flat angles C4'-P-C4' energy: -129.143 flat angles P-C4'-P energy: -93.345 tors. eta vs tors. theta energy: -84.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -882.495066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.495066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.495066 (E_RNA) where: Base-Base interactions energy: -467.055 where: short stacking energy: -293.406 Base-Backbone interact. energy: 0.648 local terms energy: -416.087908 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -128.313 flat angles C4'-P-C4' energy: -128.230 flat angles P-C4'-P energy: -38.500 tors. eta vs tors. theta energy: -3.287 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: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2912.781658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.781658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.781658 (E_RNA) where: Base-Base interactions energy: -2007.986 where: short stacking energy: -885.040 Base-Backbone interact. energy: -4.256 local terms energy: -900.539758 where: bonds (distance) C4'-P energy: -163.463 bonds (distance) P-C4' energy: -160.008 flat angles C4'-P-C4' energy: -190.193 flat angles P-C4'-P energy: -132.482 tors. eta vs tors. theta energy: -254.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2854.798310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.798310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.798310 (E_RNA) where: Base-Base interactions energy: -2002.489 where: short stacking energy: -843.501 Base-Backbone interact. energy: -2.475 local terms energy: -849.834202 where: bonds (distance) C4'-P energy: -147.776 bonds (distance) P-C4' energy: -155.611 flat angles C4'-P-C4' energy: -184.885 flat angles P-C4'-P energy: -129.984 tors. eta vs tors. theta energy: -231.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2634.500508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.500508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.500508 (E_RNA) where: Base-Base interactions energy: -1806.113 where: short stacking energy: -786.177 Base-Backbone interact. energy: -1.208 local terms energy: -827.179541 where: bonds (distance) C4'-P energy: -161.773 bonds (distance) P-C4' energy: -166.045 flat angles C4'-P-C4' energy: -179.419 flat angles P-C4'-P energy: -115.996 tors. eta vs tors. theta energy: -203.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2674.745641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.745641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.745641 (E_RNA) where: Base-Base interactions energy: -1844.396 where: short stacking energy: -790.563 Base-Backbone interact. energy: -3.774 local terms energy: -826.575614 where: bonds (distance) C4'-P energy: -152.929 bonds (distance) P-C4' energy: -161.090 flat angles C4'-P-C4' energy: -188.381 flat angles P-C4'-P energy: -122.234 tors. eta vs tors. theta energy: -201.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2422.120963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.120963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.120963 (E_RNA) where: Base-Base interactions energy: -1649.719 where: short stacking energy: -731.488 Base-Backbone interact. energy: -0.269 local terms energy: -772.132586 where: bonds (distance) C4'-P energy: -145.093 bonds (distance) P-C4' energy: -168.049 flat angles C4'-P-C4' energy: -165.287 flat angles P-C4'-P energy: -93.321 tors. eta vs tors. theta energy: -200.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2215.314401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.314401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.314401 (E_RNA) where: Base-Base interactions energy: -1541.673 where: short stacking energy: -662.200 Base-Backbone interact. energy: -0.375 local terms energy: -673.266458 where: bonds (distance) C4'-P energy: -126.607 bonds (distance) P-C4' energy: -152.928 flat angles C4'-P-C4' energy: -149.990 flat angles P-C4'-P energy: -94.085 tors. eta vs tors. theta energy: -149.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2051.831414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.831414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.831414 (E_RNA) where: Base-Base interactions energy: -1403.511 where: short stacking energy: -596.233 Base-Backbone interact. energy: -2.497 local terms energy: -645.823131 where: bonds (distance) C4'-P energy: -128.498 bonds (distance) P-C4' energy: -134.819 flat angles C4'-P-C4' energy: -152.992 flat angles P-C4'-P energy: -94.836 tors. eta vs tors. theta energy: -134.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1787.295690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.295690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.295690 (E_RNA) where: Base-Base interactions energy: -1131.991 where: short stacking energy: -530.363 Base-Backbone interact. energy: -2.011 local terms energy: -653.293770 where: bonds (distance) C4'-P energy: -132.069 bonds (distance) P-C4' energy: -154.570 flat angles C4'-P-C4' energy: -149.217 flat angles P-C4'-P energy: -102.783 tors. eta vs tors. theta energy: -114.654 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: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1367.438055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.438055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.438055 (E_RNA) where: Base-Base interactions energy: -802.451 where: short stacking energy: -386.161 Base-Backbone interact. energy: -1.489 local terms energy: -563.498441 where: bonds (distance) C4'-P energy: -154.201 bonds (distance) P-C4' energy: -155.683 flat angles C4'-P-C4' energy: -128.944 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -59.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -916.112515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.112515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.112515 (E_RNA) where: Base-Base interactions energy: -453.339 where: short stacking energy: -267.830 Base-Backbone interact. energy: 1.675 local terms energy: -464.448475 where: bonds (distance) C4'-P energy: -150.859 bonds (distance) P-C4' energy: -138.947 flat angles C4'-P-C4' energy: -97.471 flat angles P-C4'-P energy: -83.131 tors. eta vs tors. theta energy: 5.959 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: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2940.527153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.527153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.527153 (E_RNA) where: Base-Base interactions energy: -2006.488 where: short stacking energy: -897.953 Base-Backbone interact. energy: -4.006 local terms energy: -930.033505 where: bonds (distance) C4'-P energy: -161.304 bonds (distance) P-C4' energy: -186.640 flat angles C4'-P-C4' energy: -191.827 flat angles P-C4'-P energy: -134.362 tors. eta vs tors. theta energy: -255.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2847.073262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.073262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.073262 (E_RNA) where: Base-Base interactions energy: -1987.108 where: short stacking energy: -830.961 Base-Backbone interact. energy: -2.530 local terms energy: -857.435554 where: bonds (distance) C4'-P energy: -168.093 bonds (distance) P-C4' energy: -172.132 flat angles C4'-P-C4' energy: -191.434 flat angles P-C4'-P energy: -102.866 tors. eta vs tors. theta energy: -222.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2684.276131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.276131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.276131 (E_RNA) where: Base-Base interactions energy: -1871.869 where: short stacking energy: -805.061 Base-Backbone interact. energy: -4.085 local terms energy: -808.321569 where: bonds (distance) C4'-P energy: -160.090 bonds (distance) P-C4' energy: -155.084 flat angles C4'-P-C4' energy: -178.919 flat angles P-C4'-P energy: -111.925 tors. eta vs tors. theta energy: -202.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2594.836264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.836264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.836264 (E_RNA) where: Base-Base interactions energy: -1798.280 where: short stacking energy: -755.740 Base-Backbone interact. energy: -4.157 local terms energy: -792.398971 where: bonds (distance) C4'-P energy: -154.127 bonds (distance) P-C4' energy: -163.099 flat angles C4'-P-C4' energy: -166.301 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -201.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2402.653246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.653246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.653246 (E_RNA) where: Base-Base interactions energy: -1624.139 where: short stacking energy: -704.082 Base-Backbone interact. energy: -5.215 local terms energy: -773.299288 where: bonds (distance) C4'-P energy: -156.751 bonds (distance) P-C4' energy: -170.420 flat angles C4'-P-C4' energy: -175.366 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -167.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2246.560378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.560378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.560378 (E_RNA) where: Base-Base interactions energy: -1527.847 where: short stacking energy: -653.640 Base-Backbone interact. energy: 6.197 local terms energy: -724.910330 where: bonds (distance) C4'-P energy: -148.819 bonds (distance) P-C4' energy: -146.408 flat angles C4'-P-C4' energy: -162.389 flat angles P-C4'-P energy: -102.291 tors. eta vs tors. theta energy: -165.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1901.444149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.444149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.444149 (E_RNA) where: Base-Base interactions energy: -1259.276 where: short stacking energy: -562.122 Base-Backbone interact. energy: -3.784 local terms energy: -638.384224 where: bonds (distance) C4'-P energy: -124.264 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -160.674 flat angles P-C4'-P energy: -97.275 tors. eta vs tors. theta energy: -112.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1982.921771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.921771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.921771 (E_RNA) where: Base-Base interactions energy: -1323.290 where: short stacking energy: -569.283 Base-Backbone interact. energy: 0.299 local terms energy: -659.931192 where: bonds (distance) C4'-P energy: -147.761 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -134.137 flat angles P-C4'-P energy: -105.224 tors. eta vs tors. theta energy: -131.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1319.461007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.461007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.461007 (E_RNA) where: Base-Base interactions energy: -805.472 where: short stacking energy: -392.263 Base-Backbone interact. energy: 7.291 local terms energy: -521.279928 where: bonds (distance) C4'-P energy: -124.579 bonds (distance) P-C4' energy: -137.930 flat angles C4'-P-C4' energy: -126.426 flat angles P-C4'-P energy: -68.945 tors. eta vs tors. theta energy: -63.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -976.430305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.430305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.430305 (E_RNA) where: Base-Base interactions energy: -556.473 where: short stacking energy: -305.484 Base-Backbone interact. energy: 5.117 local terms energy: -425.074744 where: bonds (distance) C4'-P energy: -125.644 bonds (distance) P-C4' energy: -136.397 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -57.584 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2904.715253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.715253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.715253 (E_RNA) where: Base-Base interactions energy: -1989.558 where: short stacking energy: -882.816 Base-Backbone interact. energy: -4.678 local terms energy: -910.479345 where: bonds (distance) C4'-P energy: -155.415 bonds (distance) P-C4' energy: -171.308 flat angles C4'-P-C4' energy: -193.376 flat angles P-C4'-P energy: -136.968 tors. eta vs tors. theta energy: -253.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2872.688493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.688493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.688493 (E_RNA) where: Base-Base interactions energy: -2012.489 where: short stacking energy: -817.898 Base-Backbone interact. energy: -2.169 local terms energy: -858.030909 where: bonds (distance) C4'-P energy: -144.961 bonds (distance) P-C4' energy: -165.839 flat angles C4'-P-C4' energy: -188.945 flat angles P-C4'-P energy: -125.404 tors. eta vs tors. theta energy: -232.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2642.778843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.778843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.778843 (E_RNA) where: Base-Base interactions energy: -1823.444 where: short stacking energy: -776.478 Base-Backbone interact. energy: 2.377 local terms energy: -821.711829 where: bonds (distance) C4'-P energy: -156.746 bonds (distance) P-C4' energy: -165.653 flat angles C4'-P-C4' energy: -175.554 flat angles P-C4'-P energy: -118.600 tors. eta vs tors. theta energy: -205.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2574.609683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.609683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.609683 (E_RNA) where: Base-Base interactions energy: -1768.879 where: short stacking energy: -755.649 Base-Backbone interact. energy: -4.119 local terms energy: -801.611500 where: bonds (distance) C4'-P energy: -137.052 bonds (distance) P-C4' energy: -162.817 flat angles C4'-P-C4' energy: -180.664 flat angles P-C4'-P energy: -115.962 tors. eta vs tors. theta energy: -205.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2366.640275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.640275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.640275 (E_RNA) where: Base-Base interactions energy: -1575.324 where: short stacking energy: -696.265 Base-Backbone interact. energy: -0.305 local terms energy: -791.010701 where: bonds (distance) C4'-P energy: -174.629 bonds (distance) P-C4' energy: -158.598 flat angles C4'-P-C4' energy: -161.496 flat angles P-C4'-P energy: -96.359 tors. eta vs tors. theta energy: -199.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2273.543105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.543105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.543105 (E_RNA) where: Base-Base interactions energy: -1540.656 where: short stacking energy: -649.604 Base-Backbone interact. energy: 0.691 local terms energy: -733.577800 where: bonds (distance) C4'-P energy: -149.378 bonds (distance) P-C4' energy: -148.694 flat angles C4'-P-C4' energy: -174.695 flat angles P-C4'-P energy: -93.009 tors. eta vs tors. theta energy: -167.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1943.403761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.403761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.403761 (E_RNA) where: Base-Base interactions energy: -1253.745 where: short stacking energy: -569.875 Base-Backbone interact. energy: -2.976 local terms energy: -686.682397 where: bonds (distance) C4'-P energy: -159.128 bonds (distance) P-C4' energy: -135.319 flat angles C4'-P-C4' energy: -178.289 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -113.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1960.478916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.478916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.478916 (E_RNA) where: Base-Base interactions energy: -1324.247 where: short stacking energy: -579.043 Base-Backbone interact. energy: -5.130 local terms energy: -631.102065 where: bonds (distance) C4'-P energy: -117.651 bonds (distance) P-C4' energy: -156.850 flat angles C4'-P-C4' energy: -142.492 flat angles P-C4'-P energy: -87.764 tors. eta vs tors. theta energy: -126.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1316.659605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.659605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.659605 (E_RNA) where: Base-Base interactions energy: -786.834 where: short stacking energy: -394.673 Base-Backbone interact. energy: -1.130 local terms energy: -528.695383 where: bonds (distance) C4'-P energy: -132.226 bonds (distance) P-C4' energy: -145.176 flat angles C4'-P-C4' energy: -129.001 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -56.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -991.714989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.714989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.714989 (E_RNA) where: Base-Base interactions energy: -538.157 where: short stacking energy: -283.709 Base-Backbone interact. energy: 1.426 local terms energy: -454.984631 where: bonds (distance) C4'-P energy: -112.889 bonds (distance) P-C4' energy: -141.677 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -73.100 tors. eta vs tors. theta energy: -16.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2932.067632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.067632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.067632 (E_RNA) where: Base-Base interactions energy: -2067.850 where: short stacking energy: -869.350 Base-Backbone interact. energy: -5.179 local terms energy: -859.038509 where: bonds (distance) C4'-P energy: -151.754 bonds (distance) P-C4' energy: -167.704 flat angles C4'-P-C4' energy: -195.166 flat angles P-C4'-P energy: -118.837 tors. eta vs tors. theta energy: -225.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2861.825450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.825450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.825450 (E_RNA) where: Base-Base interactions energy: -1972.328 where: short stacking energy: -865.123 Base-Backbone interact. energy: -4.871 local terms energy: -884.626144 where: bonds (distance) C4'-P energy: -163.980 bonds (distance) P-C4' energy: -160.029 flat angles C4'-P-C4' energy: -201.044 flat angles P-C4'-P energy: -117.706 tors. eta vs tors. theta energy: -241.866 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: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2662.825461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.825461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.825461 (E_RNA) where: Base-Base interactions energy: -1834.822 where: short stacking energy: -825.063 Base-Backbone interact. energy: -4.493 local terms energy: -823.510946 where: bonds (distance) C4'-P energy: -163.067 bonds (distance) P-C4' energy: -158.514 flat angles C4'-P-C4' energy: -182.980 flat angles P-C4'-P energy: -100.376 tors. eta vs tors. theta energy: -218.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2543.683322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.683322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.683322 (E_RNA) where: Base-Base interactions energy: -1761.019 where: short stacking energy: -748.813 Base-Backbone interact. energy: -2.664 local terms energy: -780.000107 where: bonds (distance) C4'-P energy: -156.293 bonds (distance) P-C4' energy: -147.485 flat angles C4'-P-C4' energy: -183.122 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -191.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2416.434927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.434927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.434927 (E_RNA) where: Base-Base interactions energy: -1640.519 where: short stacking energy: -720.113 Base-Backbone interact. energy: 0.754 local terms energy: -776.670695 where: bonds (distance) C4'-P energy: -148.501 bonds (distance) P-C4' energy: -150.438 flat angles C4'-P-C4' energy: -177.863 flat angles P-C4'-P energy: -106.615 tors. eta vs tors. theta energy: -193.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2251.213676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.213676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.213676 (E_RNA) where: Base-Base interactions energy: -1506.517 where: short stacking energy: -657.393 Base-Backbone interact. energy: -0.273 local terms energy: -744.424162 where: bonds (distance) C4'-P energy: -149.352 bonds (distance) P-C4' energy: -147.317 flat angles C4'-P-C4' energy: -174.264 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -176.112 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: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1931.130210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.130210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.130210 (E_RNA) where: Base-Base interactions energy: -1296.136 where: short stacking energy: -514.284 Base-Backbone interact. energy: -4.384 local terms energy: -630.610365 where: bonds (distance) C4'-P energy: -135.842 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -142.504 flat angles P-C4'-P energy: -98.034 tors. eta vs tors. theta energy: -119.669 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: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1796.109412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.109412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.109412 (E_RNA) where: Base-Base interactions energy: -1161.247 where: short stacking energy: -547.882 Base-Backbone interact. energy: 6.770 local terms energy: -641.632338 where: bonds (distance) C4'-P energy: -140.359 bonds (distance) P-C4' energy: -135.807 flat angles C4'-P-C4' energy: -141.018 flat angles P-C4'-P energy: -87.997 tors. eta vs tors. theta energy: -136.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1340.972235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.972235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.972235 (E_RNA) where: Base-Base interactions energy: -845.833 where: short stacking energy: -389.884 Base-Backbone interact. energy: 4.334 local terms energy: -499.472644 where: bonds (distance) C4'-P energy: -133.823 bonds (distance) P-C4' energy: -122.005 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -65.879 tors. eta vs tors. theta energy: -46.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1028.202101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.202101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.202101 (E_RNA) where: Base-Base interactions energy: -528.771 where: short stacking energy: -280.929 Base-Backbone interact. energy: 0.455 local terms energy: -499.886032 where: bonds (distance) C4'-P energy: -136.138 bonds (distance) P-C4' energy: -146.163 flat angles C4'-P-C4' energy: -125.946 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -17.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2949.082673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.082673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.082673 (E_RNA) where: Base-Base interactions energy: -2045.025 where: short stacking energy: -851.270 Base-Backbone interact. energy: -1.405 local terms energy: -902.652286 where: bonds (distance) C4'-P energy: -175.003 bonds (distance) P-C4' energy: -165.896 flat angles C4'-P-C4' energy: -190.728 flat angles P-C4'-P energy: -135.278 tors. eta vs tors. theta energy: -235.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2833.881856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.881856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.881856 (E_RNA) where: Base-Base interactions energy: -1951.989 where: short stacking energy: -870.489 Base-Backbone interact. energy: -2.814 local terms energy: -879.079763 where: bonds (distance) C4'-P energy: -144.256 bonds (distance) P-C4' energy: -179.972 flat angles C4'-P-C4' energy: -186.760 flat angles P-C4'-P energy: -115.275 tors. eta vs tors. theta energy: -252.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2610.233025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.233025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.233025 (E_RNA) where: Base-Base interactions energy: -1771.462 where: short stacking energy: -793.103 Base-Backbone interact. energy: -2.477 local terms energy: -836.293656 where: bonds (distance) C4'-P energy: -158.713 bonds (distance) P-C4' energy: -157.487 flat angles C4'-P-C4' energy: -180.181 flat angles P-C4'-P energy: -118.520 tors. eta vs tors. theta energy: -221.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2506.419723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.419723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.419723 (E_RNA) where: Base-Base interactions energy: -1739.380 where: short stacking energy: -731.587 Base-Backbone interact. energy: -2.226 local terms energy: -764.812925 where: bonds (distance) C4'-P energy: -139.970 bonds (distance) P-C4' energy: -156.884 flat angles C4'-P-C4' energy: -186.018 flat angles P-C4'-P energy: -101.192 tors. eta vs tors. theta energy: -180.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2362.543934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.543934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.543934 (E_RNA) where: Base-Base interactions energy: -1611.482 where: short stacking energy: -688.976 Base-Backbone interact. energy: -3.716 local terms energy: -747.345685 where: bonds (distance) C4'-P energy: -135.952 bonds (distance) P-C4' energy: -155.247 flat angles C4'-P-C4' energy: -176.860 flat angles P-C4'-P energy: -89.850 tors. eta vs tors. theta energy: -189.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2267.214240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.214240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.214240 (E_RNA) where: Base-Base interactions energy: -1526.315 where: short stacking energy: -665.707 Base-Backbone interact. energy: -3.743 local terms energy: -737.155940 where: bonds (distance) C4'-P energy: -136.112 bonds (distance) P-C4' energy: -158.849 flat angles C4'-P-C4' energy: -169.065 flat angles P-C4'-P energy: -98.303 tors. eta vs tors. theta energy: -174.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1980.149476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.149476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.149476 (E_RNA) where: Base-Base interactions energy: -1353.249 where: short stacking energy: -580.680 Base-Backbone interact. energy: 2.326 local terms energy: -629.226156 where: bonds (distance) C4'-P energy: -110.118 bonds (distance) P-C4' energy: -134.876 flat angles C4'-P-C4' energy: -160.608 flat angles P-C4'-P energy: -99.899 tors. eta vs tors. theta energy: -123.726 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: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1784.426895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.426895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.426895 (E_RNA) where: Base-Base interactions energy: -1112.193 where: short stacking energy: -527.976 Base-Backbone interact. energy: 4.573 local terms energy: -676.807603 where: bonds (distance) C4'-P energy: -150.132 bonds (distance) P-C4' energy: -138.188 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -103.436 tors. eta vs tors. theta energy: -133.751 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: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1332.680276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.680276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.680276 (E_RNA) where: Base-Base interactions energy: -838.365 where: short stacking energy: -410.514 Base-Backbone interact. energy: 8.932 local terms energy: -503.247751 where: bonds (distance) C4'-P energy: -113.799 bonds (distance) P-C4' energy: -132.363 flat angles C4'-P-C4' energy: -127.517 flat angles P-C4'-P energy: -79.526 tors. eta vs tors. theta energy: -50.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -959.861336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.861336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.861336 (E_RNA) where: Base-Base interactions energy: -479.181 where: short stacking energy: -286.861 Base-Backbone interact. energy: -0.953 local terms energy: -479.727120 where: bonds (distance) C4'-P energy: -134.129 bonds (distance) P-C4' energy: -147.985 flat angles C4'-P-C4' energy: -114.826 flat angles P-C4'-P energy: -73.979 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2954.128769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.128769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.128769 (E_RNA) where: Base-Base interactions energy: -2047.101 where: short stacking energy: -849.451 Base-Backbone interact. energy: -0.600 local terms energy: -906.427579 where: bonds (distance) C4'-P energy: -168.219 bonds (distance) P-C4' energy: -166.201 flat angles C4'-P-C4' energy: -190.459 flat angles P-C4'-P energy: -132.835 tors. eta vs tors. theta energy: -248.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2845.807762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.807762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.807762 (E_RNA) where: Base-Base interactions energy: -1947.526 where: short stacking energy: -885.600 Base-Backbone interact. energy: -3.790 local terms energy: -894.491741 where: bonds (distance) C4'-P energy: -158.879 bonds (distance) P-C4' energy: -163.260 flat angles C4'-P-C4' energy: -190.348 flat angles P-C4'-P energy: -127.839 tors. eta vs tors. theta energy: -254.165 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: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2660.258250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.258250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.258250 (E_RNA) where: Base-Base interactions energy: -1800.825 where: short stacking energy: -861.964 Base-Backbone interact. energy: -4.262 local terms energy: -855.171561 where: bonds (distance) C4'-P energy: -178.528 bonds (distance) P-C4' energy: -155.392 flat angles C4'-P-C4' energy: -171.628 flat angles P-C4'-P energy: -110.015 tors. eta vs tors. theta energy: -239.608 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: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2526.383296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.383296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.383296 (E_RNA) where: Base-Base interactions energy: -1765.638 where: short stacking energy: -754.544 Base-Backbone interact. energy: -2.482 local terms energy: -758.263891 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -154.238 flat angles C4'-P-C4' energy: -164.288 flat angles P-C4'-P energy: -104.426 tors. eta vs tors. theta energy: -197.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2422.962229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.962229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.962229 (E_RNA) where: Base-Base interactions energy: -1640.251 where: short stacking energy: -714.061 Base-Backbone interact. energy: -3.694 local terms energy: -779.016402 where: bonds (distance) C4'-P energy: -140.505 bonds (distance) P-C4' energy: -174.114 flat angles C4'-P-C4' energy: -179.688 flat angles P-C4'-P energy: -105.833 tors. eta vs tors. theta energy: -178.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2202.126234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.126234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.126234 (E_RNA) where: Base-Base interactions energy: -1485.419 where: short stacking energy: -640.085 Base-Backbone interact. energy: -2.160 local terms energy: -714.546324 where: bonds (distance) C4'-P energy: -145.201 bonds (distance) P-C4' energy: -148.453 flat angles C4'-P-C4' energy: -151.963 flat angles P-C4'-P energy: -112.345 tors. eta vs tors. theta energy: -156.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1966.527494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.527494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.527494 (E_RNA) where: Base-Base interactions energy: -1323.107 where: short stacking energy: -564.248 Base-Backbone interact. energy: -1.463 local terms energy: -641.957636 where: bonds (distance) C4'-P energy: -140.453 bonds (distance) P-C4' energy: -138.933 flat angles C4'-P-C4' energy: -144.169 flat angles P-C4'-P energy: -97.311 tors. eta vs tors. theta energy: -121.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1780.273415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.273415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.273415 (E_RNA) where: Base-Base interactions energy: -1179.812 where: short stacking energy: -558.453 Base-Backbone interact. energy: 4.854 local terms energy: -605.315371 where: bonds (distance) C4'-P energy: -116.711 bonds (distance) P-C4' energy: -139.522 flat angles C4'-P-C4' energy: -133.825 flat angles P-C4'-P energy: -98.351 tors. eta vs tors. theta energy: -116.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1306.662007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.662007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.662007 (E_RNA) where: Base-Base interactions energy: -789.375 where: short stacking energy: -370.848 Base-Backbone interact. energy: -0.970 local terms energy: -516.316665 where: bonds (distance) C4'-P energy: -138.922 bonds (distance) P-C4' energy: -142.110 flat angles C4'-P-C4' energy: -135.730 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: -36.039 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: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -973.444988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.444988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.444988 (E_RNA) where: Base-Base interactions energy: -516.528 where: short stacking energy: -274.851 Base-Backbone interact. energy: 0.442 local terms energy: -457.358876 where: bonds (distance) C4'-P energy: -113.512 bonds (distance) P-C4' energy: -123.078 flat angles C4'-P-C4' energy: -118.440 flat angles P-C4'-P energy: -94.729 tors. eta vs tors. theta energy: -7.601 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: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2927.488373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.488373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.488373 (E_RNA) where: Base-Base interactions energy: -2041.384 where: short stacking energy: -890.614 Base-Backbone interact. energy: -2.464 local terms energy: -883.640121 where: bonds (distance) C4'-P energy: -162.391 bonds (distance) P-C4' energy: -163.186 flat angles C4'-P-C4' energy: -196.303 flat angles P-C4'-P energy: -126.266 tors. eta vs tors. theta energy: -235.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2808.401523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.401523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.401523 (E_RNA) where: Base-Base interactions energy: -1962.005 where: short stacking energy: -873.816 Base-Backbone interact. energy: 3.074 local terms energy: -849.470296 where: bonds (distance) C4'-P energy: -161.022 bonds (distance) P-C4' energy: -167.935 flat angles C4'-P-C4' energy: -177.253 flat angles P-C4'-P energy: -107.544 tors. eta vs tors. theta energy: -235.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2691.759211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.759211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.759211 (E_RNA) where: Base-Base interactions energy: -1846.489 where: short stacking energy: -816.462 Base-Backbone interact. energy: -3.502 local terms energy: -841.767916 where: bonds (distance) C4'-P energy: -159.733 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -188.561 flat angles P-C4'-P energy: -128.101 tors. eta vs tors. theta energy: -219.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2545.042630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.042630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.042630 (E_RNA) where: Base-Base interactions energy: -1793.332 where: short stacking energy: -749.203 Base-Backbone interact. energy: -2.950 local terms energy: -748.760261 where: bonds (distance) C4'-P energy: -127.584 bonds (distance) P-C4' energy: -162.522 flat angles C4'-P-C4' energy: -169.612 flat angles P-C4'-P energy: -108.871 tors. eta vs tors. theta energy: -180.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2414.593797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.593797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.593797 (E_RNA) where: Base-Base interactions energy: -1672.012 where: short stacking energy: -712.885 Base-Backbone interact. energy: -2.428 local terms energy: -740.154059 where: bonds (distance) C4'-P energy: -142.919 bonds (distance) P-C4' energy: -137.933 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -105.403 tors. eta vs tors. theta energy: -182.015 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: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2228.346167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.346167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.346167 (E_RNA) where: Base-Base interactions energy: -1490.754 where: short stacking energy: -644.704 Base-Backbone interact. energy: -5.406 local terms energy: -732.186516 where: bonds (distance) C4'-P energy: -155.799 bonds (distance) P-C4' energy: -148.379 flat angles C4'-P-C4' energy: -156.362 flat angles P-C4'-P energy: -93.373 tors. eta vs tors. theta energy: -178.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2057.433695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.433695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.433695 (E_RNA) where: Base-Base interactions energy: -1393.122 where: short stacking energy: -593.035 Base-Backbone interact. energy: 4.953 local terms energy: -669.263897 where: bonds (distance) C4'-P energy: -138.853 bonds (distance) P-C4' energy: -149.188 flat angles C4'-P-C4' energy: -149.375 flat angles P-C4'-P energy: -83.847 tors. eta vs tors. theta energy: -148.002 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: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1726.464386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.464386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.464386 (E_RNA) where: Base-Base interactions energy: -1102.670 where: short stacking energy: -539.628 Base-Backbone interact. energy: -3.161 local terms energy: -620.633531 where: bonds (distance) C4'-P energy: -127.895 bonds (distance) P-C4' energy: -140.353 flat angles C4'-P-C4' energy: -141.212 flat angles P-C4'-P energy: -91.722 tors. eta vs tors. theta energy: -119.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1306.637199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.637199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.637199 (E_RNA) where: Base-Base interactions energy: -804.340 where: short stacking energy: -371.129 Base-Backbone interact. energy: 5.455 local terms energy: -507.752736 where: bonds (distance) C4'-P energy: -128.319 bonds (distance) P-C4' energy: -144.977 flat angles C4'-P-C4' energy: -131.678 flat angles P-C4'-P energy: -74.350 tors. eta vs tors. theta energy: -28.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -955.948087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.948087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.948087 (E_RNA) where: Base-Base interactions energy: -494.874 where: short stacking energy: -262.741 Base-Backbone interact. energy: 2.166 local terms energy: -463.240443 where: bonds (distance) C4'-P energy: -136.721 bonds (distance) P-C4' energy: -145.563 flat angles C4'-P-C4' energy: -119.767 flat angles P-C4'-P energy: -43.197 tors. eta vs tors. theta energy: -17.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2953.439417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.439417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.439417 (E_RNA) where: Base-Base interactions energy: -2094.695 where: short stacking energy: -884.274 Base-Backbone interact. energy: -2.464 local terms energy: -856.280202 where: bonds (distance) C4'-P energy: -163.825 bonds (distance) P-C4' energy: -140.086 flat angles C4'-P-C4' energy: -180.603 flat angles P-C4'-P energy: -124.542 tors. eta vs tors. theta energy: -247.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2825.906637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.906637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.906637 (E_RNA) where: Base-Base interactions energy: -1977.045 where: short stacking energy: -853.844 Base-Backbone interact. energy: 1.356 local terms energy: -850.217409 where: bonds (distance) C4'-P energy: -129.359 bonds (distance) P-C4' energy: -169.069 flat angles C4'-P-C4' energy: -190.885 flat angles P-C4'-P energy: -111.073 tors. eta vs tors. theta energy: -249.830 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: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2682.295299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.295299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.295299 (E_RNA) where: Base-Base interactions energy: -1845.916 where: short stacking energy: -801.759 Base-Backbone interact. energy: -3.618 local terms energy: -832.761149 where: bonds (distance) C4'-P energy: -148.429 bonds (distance) P-C4' energy: -151.057 flat angles C4'-P-C4' energy: -181.172 flat angles P-C4'-P energy: -125.832 tors. eta vs tors. theta energy: -226.272 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: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2586.205642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.205642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.205642 (E_RNA) where: Base-Base interactions energy: -1787.354 where: short stacking energy: -791.611 Base-Backbone interact. energy: -2.644 local terms energy: -796.207925 where: bonds (distance) C4'-P energy: -152.158 bonds (distance) P-C4' energy: -160.402 flat angles C4'-P-C4' energy: -170.786 flat angles P-C4'-P energy: -112.904 tors. eta vs tors. theta energy: -199.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2416.745075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.745075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.745075 (E_RNA) where: Base-Base interactions energy: -1654.092 where: short stacking energy: -703.283 Base-Backbone interact. energy: -0.788 local terms energy: -761.865139 where: bonds (distance) C4'-P energy: -134.685 bonds (distance) P-C4' energy: -165.778 flat angles C4'-P-C4' energy: -165.696 flat angles P-C4'-P energy: -112.843 tors. eta vs tors. theta energy: -182.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2240.737561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.737561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.737561 (E_RNA) where: Base-Base interactions energy: -1516.200 where: short stacking energy: -669.424 Base-Backbone interact. energy: -4.027 local terms energy: -720.510315 where: bonds (distance) C4'-P energy: -133.367 bonds (distance) P-C4' energy: -135.782 flat angles C4'-P-C4' energy: -171.811 flat angles P-C4'-P energy: -112.433 tors. eta vs tors. theta energy: -167.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2073.099686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.099686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.099686 (E_RNA) where: Base-Base interactions energy: -1385.531 where: short stacking energy: -610.750 Base-Backbone interact. energy: -2.048 local terms energy: -685.520064 where: bonds (distance) C4'-P energy: -132.368 bonds (distance) P-C4' energy: -160.865 flat angles C4'-P-C4' energy: -159.390 flat angles P-C4'-P energy: -90.454 tors. eta vs tors. theta energy: -142.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1699.139549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.139549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.139549 (E_RNA) where: Base-Base interactions energy: -1062.646 where: short stacking energy: -524.831 Base-Backbone interact. energy: 5.172 local terms energy: -641.665837 where: bonds (distance) C4'-P energy: -135.922 bonds (distance) P-C4' energy: -155.638 flat angles C4'-P-C4' energy: -143.143 flat angles P-C4'-P energy: -84.406 tors. eta vs tors. theta energy: -122.557 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: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1347.064597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.064597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.064597 (E_RNA) where: Base-Base interactions energy: -825.628 where: short stacking energy: -361.972 Base-Backbone interact. energy: -0.050 local terms energy: -521.386191 where: bonds (distance) C4'-P energy: -138.692 bonds (distance) P-C4' energy: -119.702 flat angles C4'-P-C4' energy: -139.578 flat angles P-C4'-P energy: -85.338 tors. eta vs tors. theta energy: -38.076 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: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -939.766574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.766574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.766574 (E_RNA) where: Base-Base interactions energy: -479.170 where: short stacking energy: -282.802 Base-Backbone interact. energy: 7.285 local terms energy: -467.881051 where: bonds (distance) C4'-P energy: -129.382 bonds (distance) P-C4' energy: -131.707 flat angles C4'-P-C4' energy: -127.971 flat angles P-C4'-P energy: -77.568 tors. eta vs tors. theta energy: -1.252 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: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2946.449650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.449650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.449650 (E_RNA) where: Base-Base interactions energy: -2028.829 where: short stacking energy: -866.616 Base-Backbone interact. energy: -1.649 local terms energy: -915.971076 where: bonds (distance) C4'-P energy: -171.858 bonds (distance) P-C4' energy: -172.226 flat angles C4'-P-C4' energy: -194.893 flat angles P-C4'-P energy: -131.082 tors. eta vs tors. theta energy: -245.913 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: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2837.253983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.253983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.253983 (E_RNA) where: Base-Base interactions energy: -1938.338 where: short stacking energy: -843.451 Base-Backbone interact. energy: -4.716 local terms energy: -894.199658 where: bonds (distance) C4'-P energy: -172.267 bonds (distance) P-C4' energy: -162.409 flat angles C4'-P-C4' energy: -185.791 flat angles P-C4'-P energy: -130.009 tors. eta vs tors. theta energy: -243.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2677.628600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.628600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.628600 (E_RNA) where: Base-Base interactions energy: -1869.386 where: short stacking energy: -807.693 Base-Backbone interact. energy: -5.446 local terms energy: -802.795790 where: bonds (distance) C4'-P energy: -158.541 bonds (distance) P-C4' energy: -149.572 flat angles C4'-P-C4' energy: -173.626 flat angles P-C4'-P energy: -103.668 tors. eta vs tors. theta energy: -217.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2595.641593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.641593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.641593 (E_RNA) where: Base-Base interactions energy: -1824.618 where: short stacking energy: -762.974 Base-Backbone interact. energy: -2.111 local terms energy: -768.912278 where: bonds (distance) C4'-P energy: -143.601 bonds (distance) P-C4' energy: -149.223 flat angles C4'-P-C4' energy: -171.700 flat angles P-C4'-P energy: -108.249 tors. eta vs tors. theta energy: -196.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2386.517515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.517515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.517515 (E_RNA) where: Base-Base interactions energy: -1627.671 where: short stacking energy: -670.848 Base-Backbone interact. energy: -2.127 local terms energy: -756.719217 where: bonds (distance) C4'-P energy: -158.826 bonds (distance) P-C4' energy: -146.801 flat angles C4'-P-C4' energy: -161.005 flat angles P-C4'-P energy: -112.296 tors. eta vs tors. theta energy: -177.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2203.776558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.776558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.776558 (E_RNA) where: Base-Base interactions energy: -1489.004 where: short stacking energy: -601.546 Base-Backbone interact. energy: -0.873 local terms energy: -713.900107 where: bonds (distance) C4'-P energy: -164.511 bonds (distance) P-C4' energy: -163.292 flat angles C4'-P-C4' energy: -151.282 flat angles P-C4'-P energy: -107.837 tors. eta vs tors. theta energy: -126.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1973.386982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.386982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.386982 (E_RNA) where: Base-Base interactions energy: -1332.127 where: short stacking energy: -564.203 Base-Backbone interact. energy: 1.412 local terms energy: -642.671889 where: bonds (distance) C4'-P energy: -138.718 bonds (distance) P-C4' energy: -153.298 flat angles C4'-P-C4' energy: -146.203 flat angles P-C4'-P energy: -87.081 tors. eta vs tors. theta energy: -117.372 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: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1790.935678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.935678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.935678 (E_RNA) where: Base-Base interactions energy: -1148.750 where: short stacking energy: -549.905 Base-Backbone interact. energy: 3.688 local terms energy: -645.874305 where: bonds (distance) C4'-P energy: -117.647 bonds (distance) P-C4' energy: -154.955 flat angles C4'-P-C4' energy: -142.549 flat angles P-C4'-P energy: -98.772 tors. eta vs tors. theta energy: -131.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1366.542466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.542466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.542466 (E_RNA) where: Base-Base interactions energy: -825.527 where: short stacking energy: -395.029 Base-Backbone interact. energy: -0.284 local terms energy: -540.731121 where: bonds (distance) C4'-P energy: -145.462 bonds (distance) P-C4' energy: -159.618 flat angles C4'-P-C4' energy: -121.232 flat angles P-C4'-P energy: -77.899 tors. eta vs tors. theta energy: -36.520 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: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -896.625458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.625458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.625458 (E_RNA) where: Base-Base interactions energy: -419.711 where: short stacking energy: -242.657 Base-Backbone interact. energy: -0.901 local terms energy: -476.013004 where: bonds (distance) C4'-P energy: -136.707 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -118.835 flat angles P-C4'-P energy: -86.356 tors. eta vs tors. theta energy: 5.442 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: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2952.962458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.962458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.962458 (E_RNA) where: Base-Base interactions energy: -2048.989 where: short stacking energy: -880.286 Base-Backbone interact. energy: -5.025 local terms energy: -898.948904 where: bonds (distance) C4'-P energy: -157.393 bonds (distance) P-C4' energy: -168.091 flat angles C4'-P-C4' energy: -192.977 flat angles P-C4'-P energy: -135.970 tors. eta vs tors. theta energy: -244.518 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: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2820.088352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.088352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.088352 (E_RNA) where: Base-Base interactions energy: -1939.532 where: short stacking energy: -860.749 Base-Backbone interact. energy: -1.398 local terms energy: -879.158587 where: bonds (distance) C4'-P energy: -167.806 bonds (distance) P-C4' energy: -165.127 flat angles C4'-P-C4' energy: -191.324 flat angles P-C4'-P energy: -112.864 tors. eta vs tors. theta energy: -242.038 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: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2713.287072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.287072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.287072 (E_RNA) where: Base-Base interactions energy: -1854.557 where: short stacking energy: -775.724 Base-Backbone interact. energy: -4.482 local terms energy: -854.247771 where: bonds (distance) C4'-P energy: -160.690 bonds (distance) P-C4' energy: -161.377 flat angles C4'-P-C4' energy: -193.009 flat angles P-C4'-P energy: -130.607 tors. eta vs tors. theta energy: -208.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2614.049095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.049095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.049095 (E_RNA) where: Base-Base interactions energy: -1792.816 where: short stacking energy: -794.586 Base-Backbone interact. energy: -1.802 local terms energy: -819.430565 where: bonds (distance) C4'-P energy: -144.411 bonds (distance) P-C4' energy: -165.463 flat angles C4'-P-C4' energy: -170.386 flat angles P-C4'-P energy: -129.196 tors. eta vs tors. theta energy: -209.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2382.602204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.602204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.602204 (E_RNA) where: Base-Base interactions energy: -1660.481 where: short stacking energy: -683.386 Base-Backbone interact. energy: 1.185 local terms energy: -723.306340 where: bonds (distance) C4'-P energy: -134.046 bonds (distance) P-C4' energy: -158.161 flat angles C4'-P-C4' energy: -158.110 flat angles P-C4'-P energy: -114.661 tors. eta vs tors. theta energy: -158.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2240.214242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.214242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.214242 (E_RNA) where: Base-Base interactions energy: -1526.218 where: short stacking energy: -682.426 Base-Backbone interact. energy: -1.983 local terms energy: -712.012753 where: bonds (distance) C4'-P energy: -148.523 bonds (distance) P-C4' energy: -147.059 flat angles C4'-P-C4' energy: -156.443 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -162.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1939.702328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.702328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.702328 (E_RNA) where: Base-Base interactions energy: -1287.531 where: short stacking energy: -535.565 Base-Backbone interact. energy: -0.420 local terms energy: -651.751206 where: bonds (distance) C4'-P energy: -128.588 bonds (distance) P-C4' energy: -165.565 flat angles C4'-P-C4' energy: -148.507 flat angles P-C4'-P energy: -88.961 tors. eta vs tors. theta energy: -120.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1783.148387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.148387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.148387 (E_RNA) where: Base-Base interactions energy: -1171.724 where: short stacking energy: -520.471 Base-Backbone interact. energy: -2.667 local terms energy: -608.757349 where: bonds (distance) C4'-P energy: -138.881 bonds (distance) P-C4' energy: -137.806 flat angles C4'-P-C4' energy: -129.905 flat angles P-C4'-P energy: -96.738 tors. eta vs tors. theta energy: -105.427 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: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1378.681043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.681043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.681043 (E_RNA) where: Base-Base interactions energy: -852.043 where: short stacking energy: -388.772 Base-Backbone interact. energy: 0.345 local terms energy: -526.982817 where: bonds (distance) C4'-P energy: -131.326 bonds (distance) P-C4' energy: -139.915 flat angles C4'-P-C4' energy: -141.177 flat angles P-C4'-P energy: -80.009 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: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -903.189325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.189325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.189325 (E_RNA) where: Base-Base interactions energy: -444.767 where: short stacking energy: -266.186 Base-Backbone interact. energy: -2.531 local terms energy: -455.891433 where: bonds (distance) C4'-P energy: -129.333 bonds (distance) P-C4' energy: -140.501 flat angles C4'-P-C4' energy: -116.038 flat angles P-C4'-P energy: -64.257 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2977.525297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.525297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.525297 (E_RNA) where: Base-Base interactions energy: -2087.293 where: short stacking energy: -891.753 Base-Backbone interact. energy: 2.926 local terms energy: -893.158707 where: bonds (distance) C4'-P energy: -182.164 bonds (distance) P-C4' energy: -177.045 flat angles C4'-P-C4' energy: -187.066 flat angles P-C4'-P energy: -121.992 tors. eta vs tors. theta energy: -224.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2848.319303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.319303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.319303 (E_RNA) where: Base-Base interactions energy: -1965.449 where: short stacking energy: -894.541 Base-Backbone interact. energy: -1.568 local terms energy: -881.302293 where: bonds (distance) C4'-P energy: -159.849 bonds (distance) P-C4' energy: -170.858 flat angles C4'-P-C4' energy: -187.285 flat angles P-C4'-P energy: -114.581 tors. eta vs tors. theta energy: -248.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2665.566819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.566819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.566819 (E_RNA) where: Base-Base interactions energy: -1835.279 where: short stacking energy: -823.021 Base-Backbone interact. energy: -3.500 local terms energy: -826.787683 where: bonds (distance) C4'-P energy: -152.037 bonds (distance) P-C4' energy: -154.384 flat angles C4'-P-C4' energy: -171.373 flat angles P-C4'-P energy: -121.828 tors. eta vs tors. theta energy: -227.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2614.535830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.535830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.535830 (E_RNA) where: Base-Base interactions energy: -1818.643 where: short stacking energy: -779.269 Base-Backbone interact. energy: -3.584 local terms energy: -792.308307 where: bonds (distance) C4'-P energy: -138.073 bonds (distance) P-C4' energy: -143.930 flat angles C4'-P-C4' energy: -187.516 flat angles P-C4'-P energy: -114.689 tors. eta vs tors. theta energy: -208.101 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: 195 Temperature: 1.100000 Total energy: -2385.447259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.447259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.447259 (E_RNA) where: Base-Base interactions energy: -1654.471 where: short stacking energy: -709.899 Base-Backbone interact. energy: -1.401 local terms energy: -729.574792 where: bonds (distance) C4'-P energy: -142.875 bonds (distance) P-C4' energy: -135.762 flat angles C4'-P-C4' energy: -167.887 flat angles P-C4'-P energy: -110.564 tors. eta vs tors. theta energy: -172.487 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: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2223.356009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.356009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.356009 (E_RNA) where: Base-Base interactions energy: -1527.444 where: short stacking energy: -680.169 Base-Backbone interact. energy: -4.089 local terms energy: -691.823302 where: bonds (distance) C4'-P energy: -118.405 bonds (distance) P-C4' energy: -138.043 flat angles C4'-P-C4' energy: -173.444 flat angles P-C4'-P energy: -92.694 tors. eta vs tors. theta energy: -169.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1947.680451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.680451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.680451 (E_RNA) where: Base-Base interactions energy: -1271.712 where: short stacking energy: -568.950 Base-Backbone interact. energy: -6.212 local terms energy: -669.757311 where: bonds (distance) C4'-P energy: -142.125 bonds (distance) P-C4' energy: -145.282 flat angles C4'-P-C4' energy: -149.904 flat angles P-C4'-P energy: -95.694 tors. eta vs tors. theta energy: -136.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1803.967781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.967781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.967781 (E_RNA) where: Base-Base interactions energy: -1184.707 where: short stacking energy: -547.614 Base-Backbone interact. energy: -0.531 local terms energy: -618.730277 where: bonds (distance) C4'-P energy: -138.027 bonds (distance) P-C4' energy: -144.867 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -89.409 tors. eta vs tors. theta energy: -125.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1392.417230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.417230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.417230 (E_RNA) where: Base-Base interactions energy: -868.673 where: short stacking energy: -416.403 Base-Backbone interact. energy: -2.629 local terms energy: -521.114981 where: bonds (distance) C4'-P energy: -137.232 bonds (distance) P-C4' energy: -131.621 flat angles C4'-P-C4' energy: -134.477 flat angles P-C4'-P energy: -61.627 tors. eta vs tors. theta energy: -56.158 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: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -904.509378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.509378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.509378 (E_RNA) where: Base-Base interactions energy: -470.837 where: short stacking energy: -280.877 Base-Backbone interact. energy: -2.467 local terms energy: -431.205191 where: bonds (distance) C4'-P energy: -132.419 bonds (distance) P-C4' energy: -133.183 flat angles C4'-P-C4' energy: -97.797 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -9.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2949.974439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.974439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.974439 (E_RNA) where: Base-Base interactions energy: -2068.198 where: short stacking energy: -877.447 Base-Backbone interact. energy: 3.854 local terms energy: -885.631168 where: bonds (distance) C4'-P energy: -157.897 bonds (distance) P-C4' energy: -173.482 flat angles C4'-P-C4' energy: -181.734 flat angles P-C4'-P energy: -123.767 tors. eta vs tors. theta energy: -248.750 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: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2839.957030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.957030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.957030 (E_RNA) where: Base-Base interactions energy: -1932.896 where: short stacking energy: -858.507 Base-Backbone interact. energy: -0.980 local terms energy: -906.081318 where: bonds (distance) C4'-P energy: -164.456 bonds (distance) P-C4' energy: -163.173 flat angles C4'-P-C4' energy: -189.493 flat angles P-C4'-P energy: -130.161 tors. eta vs tors. theta energy: -258.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2733.155224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.155224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.155224 (E_RNA) where: Base-Base interactions energy: -1924.223 where: short stacking energy: -830.664 Base-Backbone interact. energy: 0.160 local terms energy: -809.092769 where: bonds (distance) C4'-P energy: -143.647 bonds (distance) P-C4' energy: -149.490 flat angles C4'-P-C4' energy: -175.033 flat angles P-C4'-P energy: -124.294 tors. eta vs tors. theta energy: -216.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2609.568196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.568196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.568196 (E_RNA) where: Base-Base interactions energy: -1814.363 where: short stacking energy: -792.815 Base-Backbone interact. energy: -2.607 local terms energy: -792.598561 where: bonds (distance) C4'-P energy: -150.540 bonds (distance) P-C4' energy: -162.595 flat angles C4'-P-C4' energy: -169.198 flat angles P-C4'-P energy: -99.758 tors. eta vs tors. theta energy: -210.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2380.024371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.024371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.024371 (E_RNA) where: Base-Base interactions energy: -1596.113 where: short stacking energy: -682.402 Base-Backbone interact. energy: -3.548 local terms energy: -780.363224 where: bonds (distance) C4'-P energy: -154.623 bonds (distance) P-C4' energy: -157.423 flat angles C4'-P-C4' energy: -186.864 flat angles P-C4'-P energy: -109.029 tors. eta vs tors. theta energy: -172.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2243.221123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.221123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.221123 (E_RNA) where: Base-Base interactions energy: -1525.841 where: short stacking energy: -653.979 Base-Backbone interact. energy: -0.599 local terms energy: -716.781470 where: bonds (distance) C4'-P energy: -146.086 bonds (distance) P-C4' energy: -146.336 flat angles C4'-P-C4' energy: -158.517 flat angles P-C4'-P energy: -91.790 tors. eta vs tors. theta energy: -174.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1942.852080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.852080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.852080 (E_RNA) where: Base-Base interactions energy: -1307.578 where: short stacking energy: -577.711 Base-Backbone interact. energy: -0.996 local terms energy: -634.277991 where: bonds (distance) C4'-P energy: -127.392 bonds (distance) P-C4' energy: -148.587 flat angles C4'-P-C4' energy: -152.740 flat angles P-C4'-P energy: -97.924 tors. eta vs tors. theta energy: -107.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1819.785089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.785089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.785089 (E_RNA) where: Base-Base interactions energy: -1191.642 where: short stacking energy: -578.697 Base-Backbone interact. energy: 3.582 local terms energy: -631.725150 where: bonds (distance) C4'-P energy: -119.364 bonds (distance) P-C4' energy: -136.469 flat angles C4'-P-C4' energy: -139.758 flat angles P-C4'-P energy: -98.118 tors. eta vs tors. theta energy: -138.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1360.183077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.183077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.183077 (E_RNA) where: Base-Base interactions energy: -849.994 where: short stacking energy: -383.047 Base-Backbone interact. energy: -2.907 local terms energy: -507.281262 where: bonds (distance) C4'-P energy: -130.268 bonds (distance) P-C4' energy: -134.426 flat angles C4'-P-C4' energy: -138.128 flat angles P-C4'-P energy: -67.104 tors. eta vs tors. theta energy: -37.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -864.548015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.548015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.548015 (E_RNA) where: Base-Base interactions energy: -419.176 where: short stacking energy: -256.997 Base-Backbone interact. energy: -0.261 local terms energy: -445.111160 where: bonds (distance) C4'-P energy: -128.505 bonds (distance) P-C4' energy: -130.526 flat angles C4'-P-C4' energy: -132.850 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: 15.752 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: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2971.022563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.022563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.022563 (E_RNA) where: Base-Base interactions energy: -2068.853 where: short stacking energy: -866.646 Base-Backbone interact. energy: -4.934 local terms energy: -897.235186 where: bonds (distance) C4'-P energy: -172.105 bonds (distance) P-C4' energy: -161.438 flat angles C4'-P-C4' energy: -187.730 flat angles P-C4'-P energy: -126.519 tors. eta vs tors. theta energy: -249.443 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: 2, replica: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2843.057614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.057614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.057614 (E_RNA) where: Base-Base interactions energy: -1950.937 where: short stacking energy: -867.940 Base-Backbone interact. energy: -0.765 local terms energy: -891.355619 where: bonds (distance) C4'-P energy: -159.816 bonds (distance) P-C4' energy: -167.419 flat angles C4'-P-C4' energy: -181.530 flat angles P-C4'-P energy: -128.481 tors. eta vs tors. theta energy: -254.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2738.901955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.901955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.901955 (E_RNA) where: Base-Base interactions energy: -1879.340 where: short stacking energy: -806.965 Base-Backbone interact. energy: 10.195 local terms energy: -869.756950 where: bonds (distance) C4'-P energy: -153.109 bonds (distance) P-C4' energy: -157.111 flat angles C4'-P-C4' energy: -190.294 flat angles P-C4'-P energy: -140.969 tors. eta vs tors. theta energy: -228.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2668.489362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.489362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.489362 (E_RNA) where: Base-Base interactions energy: -1855.096 where: short stacking energy: -783.649 Base-Backbone interact. energy: -0.181 local terms energy: -813.213021 where: bonds (distance) C4'-P energy: -122.592 bonds (distance) P-C4' energy: -170.314 flat angles C4'-P-C4' energy: -178.862 flat angles P-C4'-P energy: -111.412 tors. eta vs tors. theta energy: -230.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2411.257911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.257911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.257911 (E_RNA) where: Base-Base interactions energy: -1648.742 where: short stacking energy: -721.622 Base-Backbone interact. energy: -1.577 local terms energy: -760.938243 where: bonds (distance) C4'-P energy: -155.348 bonds (distance) P-C4' energy: -150.454 flat angles C4'-P-C4' energy: -161.320 flat angles P-C4'-P energy: -101.939 tors. eta vs tors. theta energy: -191.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2159.875530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.875530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.875530 (E_RNA) where: Base-Base interactions energy: -1481.682 where: short stacking energy: -624.467 Base-Backbone interact. energy: 0.512 local terms energy: -678.705289 where: bonds (distance) C4'-P energy: -147.822 bonds (distance) P-C4' energy: -143.183 flat angles C4'-P-C4' energy: -150.736 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: -146.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1807.370237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.370237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.370237 (E_RNA) where: Base-Base interactions energy: -1158.622 where: short stacking energy: -512.785 Base-Backbone interact. energy: -5.498 local terms energy: -643.249774 where: bonds (distance) C4'-P energy: -123.352 bonds (distance) P-C4' energy: -141.907 flat angles C4'-P-C4' energy: -159.561 flat angles P-C4'-P energy: -108.126 tors. eta vs tors. theta energy: -110.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1865.193005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.193005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.193005 (E_RNA) where: Base-Base interactions energy: -1227.125 where: short stacking energy: -571.634 Base-Backbone interact. energy: -1.277 local terms energy: -636.790434 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -159.040 flat angles C4'-P-C4' energy: -148.716 flat angles P-C4'-P energy: -85.619 tors. eta vs tors. theta energy: -120.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1407.897024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.897024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.897024 (E_RNA) where: Base-Base interactions energy: -864.761 where: short stacking energy: -419.050 Base-Backbone interact. energy: 5.506 local terms energy: -548.642171 where: bonds (distance) C4'-P energy: -116.088 bonds (distance) P-C4' energy: -159.734 flat angles C4'-P-C4' energy: -134.814 flat angles P-C4'-P energy: -73.588 tors. eta vs tors. theta energy: -64.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -892.843960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.843960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.843960 (E_RNA) where: Base-Base interactions energy: -418.528 where: short stacking energy: -260.652 Base-Backbone interact. energy: 2.986 local terms energy: -477.301458 where: bonds (distance) C4'-P energy: -140.830 bonds (distance) P-C4' energy: -146.793 flat angles C4'-P-C4' energy: -125.199 flat angles P-C4'-P energy: -69.897 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: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2958.193698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.193698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.193698 (E_RNA) where: Base-Base interactions energy: -2054.636 where: short stacking energy: -873.327 Base-Backbone interact. energy: -5.855 local terms energy: -897.702428 where: bonds (distance) C4'-P energy: -168.286 bonds (distance) P-C4' energy: -169.935 flat angles C4'-P-C4' energy: -189.015 flat angles P-C4'-P energy: -129.301 tors. eta vs tors. theta energy: -241.165 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: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2836.668166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.668166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.668166 (E_RNA) where: Base-Base interactions energy: -1923.860 where: short stacking energy: -859.411 Base-Backbone interact. energy: -3.358 local terms energy: -909.449622 where: bonds (distance) C4'-P energy: -163.438 bonds (distance) P-C4' energy: -172.325 flat angles C4'-P-C4' energy: -200.361 flat angles P-C4'-P energy: -115.604 tors. eta vs tors. theta energy: -257.721 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: 6 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2661.887247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.887247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.887247 (E_RNA) where: Base-Base interactions energy: -1853.008 where: short stacking energy: -795.003 Base-Backbone interact. energy: 1.742 local terms energy: -810.620885 where: bonds (distance) C4'-P energy: -153.568 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -182.524 flat angles P-C4'-P energy: -107.521 tors. eta vs tors. theta energy: -214.395 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: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2649.290453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.290453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.290453 (E_RNA) where: Base-Base interactions energy: -1838.019 where: short stacking energy: -802.092 Base-Backbone interact. energy: -4.362 local terms energy: -806.908985 where: bonds (distance) C4'-P energy: -158.505 bonds (distance) P-C4' energy: -164.018 flat angles C4'-P-C4' energy: -173.356 flat angles P-C4'-P energy: -102.376 tors. eta vs tors. theta energy: -208.654 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: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2443.303840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.303840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.303840 (E_RNA) where: Base-Base interactions energy: -1700.171 where: short stacking energy: -709.328 Base-Backbone interact. energy: 0.188 local terms energy: -743.320820 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -147.410 flat angles C4'-P-C4' energy: -173.849 flat angles P-C4'-P energy: -109.584 tors. eta vs tors. theta energy: -182.964 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: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2188.546538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.546538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.546538 (E_RNA) where: Base-Base interactions energy: -1488.618 where: short stacking energy: -649.334 Base-Backbone interact. energy: -2.046 local terms energy: -697.882453 where: bonds (distance) C4'-P energy: -141.450 bonds (distance) P-C4' energy: -150.643 flat angles C4'-P-C4' energy: -146.591 flat angles P-C4'-P energy: -97.295 tors. eta vs tors. theta energy: -161.904 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: 7, replica: 7 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1874.410543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.410543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.410543 (E_RNA) where: Base-Base interactions energy: -1249.219 where: short stacking energy: -566.244 Base-Backbone interact. energy: -2.622 local terms energy: -622.569661 where: bonds (distance) C4'-P energy: -140.925 bonds (distance) P-C4' energy: -143.651 flat angles C4'-P-C4' energy: -130.245 flat angles P-C4'-P energy: -81.896 tors. eta vs tors. theta energy: -125.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1867.634571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.634571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.634571 (E_RNA) where: Base-Base interactions energy: -1240.555 where: short stacking energy: -575.677 Base-Backbone interact. energy: 0.121 local terms energy: -627.200604 where: bonds (distance) C4'-P energy: -118.978 bonds (distance) P-C4' energy: -148.407 flat angles C4'-P-C4' energy: -145.088 flat angles P-C4'-P energy: -87.228 tors. eta vs tors. theta energy: -127.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1336.848235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.848235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.848235 (E_RNA) where: Base-Base interactions energy: -798.351 where: short stacking energy: -389.186 Base-Backbone interact. energy: -2.311 local terms energy: -536.186471 where: bonds (distance) C4'-P energy: -136.035 bonds (distance) P-C4' energy: -147.373 flat angles C4'-P-C4' energy: -130.714 flat angles P-C4'-P energy: -81.992 tors. eta vs tors. theta energy: -40.073 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: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -871.238206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.238206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.238206 (E_RNA) where: Base-Base interactions energy: -425.030 where: short stacking energy: -255.983 Base-Backbone interact. energy: -3.102 local terms energy: -443.106466 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -147.512 flat angles C4'-P-C4' energy: -99.385 flat angles P-C4'-P energy: -78.227 tors. eta vs tors. theta energy: 1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2943.996334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.996334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.996334 (E_RNA) where: Base-Base interactions energy: -2059.350 where: short stacking energy: -851.837 Base-Backbone interact. energy: -2.235 local terms energy: -882.411699 where: bonds (distance) C4'-P energy: -163.050 bonds (distance) P-C4' energy: -175.577 flat angles C4'-P-C4' energy: -182.343 flat angles P-C4'-P energy: -123.051 tors. eta vs tors. theta energy: -238.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2882.212697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.212697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.212697 (E_RNA) where: Base-Base interactions energy: -1987.971 where: short stacking energy: -891.318 Base-Backbone interact. energy: -3.329 local terms energy: -890.912246 where: bonds (distance) C4'-P energy: -153.479 bonds (distance) P-C4' energy: -171.006 flat angles C4'-P-C4' energy: -194.598 flat angles P-C4'-P energy: -120.989 tors. eta vs tors. theta energy: -250.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2747.905351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.905351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.905351 (E_RNA) where: Base-Base interactions energy: -1905.247 where: short stacking energy: -838.135 Base-Backbone interact. energy: -3.077 local terms energy: -839.581697 where: bonds (distance) C4'-P energy: -149.946 bonds (distance) P-C4' energy: -149.226 flat angles C4'-P-C4' energy: -194.987 flat angles P-C4'-P energy: -112.668 tors. eta vs tors. theta energy: -232.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2624.114166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.114166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.114166 (E_RNA) where: Base-Base interactions energy: -1839.359 where: short stacking energy: -818.292 Base-Backbone interact. energy: -0.181 local terms energy: -784.574052 where: bonds (distance) C4'-P energy: -138.138 bonds (distance) P-C4' energy: -145.383 flat angles C4'-P-C4' energy: -181.732 flat angles P-C4'-P energy: -97.407 tors. eta vs tors. theta energy: -221.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2502.871863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.871863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.871863 (E_RNA) where: Base-Base interactions energy: -1732.776 where: short stacking energy: -751.117 Base-Backbone interact. energy: -3.368 local terms energy: -766.727138 where: bonds (distance) C4'-P energy: -152.353 bonds (distance) P-C4' energy: -138.952 flat angles C4'-P-C4' energy: -163.356 flat angles P-C4'-P energy: -102.477 tors. eta vs tors. theta energy: -209.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2237.736946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.736946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.736946 (E_RNA) where: Base-Base interactions energy: -1508.873 where: short stacking energy: -694.651 Base-Backbone interact. energy: -3.124 local terms energy: -725.739539 where: bonds (distance) C4'-P energy: -125.270 bonds (distance) P-C4' energy: -154.335 flat angles C4'-P-C4' energy: -153.328 flat angles P-C4'-P energy: -109.081 tors. eta vs tors. theta energy: -183.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1892.603321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.603321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.603321 (E_RNA) where: Base-Base interactions energy: -1248.764 where: short stacking energy: -586.214 Base-Backbone interact. energy: 2.025 local terms energy: -645.864067 where: bonds (distance) C4'-P energy: -148.501 bonds (distance) P-C4' energy: -137.767 flat angles C4'-P-C4' energy: -144.259 flat angles P-C4'-P energy: -82.524 tors. eta vs tors. theta energy: -132.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1816.198952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.198952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.198952 (E_RNA) where: Base-Base interactions energy: -1168.200 where: short stacking energy: -559.765 Base-Backbone interact. energy: -2.508 local terms energy: -645.490858 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -145.165 flat angles C4'-P-C4' energy: -138.660 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -156.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1413.503414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.503414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.503414 (E_RNA) where: Base-Base interactions energy: -890.905 where: short stacking energy: -396.877 Base-Backbone interact. energy: 8.495 local terms energy: -531.093334 where: bonds (distance) C4'-P energy: -125.549 bonds (distance) P-C4' energy: -138.262 flat angles C4'-P-C4' energy: -124.889 flat angles P-C4'-P energy: -89.642 tors. eta vs tors. theta energy: -52.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -801.595511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.595511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.595511 (E_RNA) where: Base-Base interactions energy: -381.824 where: short stacking energy: -267.661 Base-Backbone interact. energy: -1.682 local terms energy: -418.089659 where: bonds (distance) C4'-P energy: -123.997 bonds (distance) P-C4' energy: -135.196 flat angles C4'-P-C4' energy: -90.768 flat angles P-C4'-P energy: -61.204 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2972.299889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.299889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.299889 (E_RNA) where: Base-Base interactions energy: -2067.232 where: short stacking energy: -845.647 Base-Backbone interact. energy: -5.394 local terms energy: -899.674620 where: bonds (distance) C4'-P energy: -168.834 bonds (distance) P-C4' energy: -177.170 flat angles C4'-P-C4' energy: -187.009 flat angles P-C4'-P energy: -123.173 tors. eta vs tors. theta energy: -243.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2862.702206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.702206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.702206 (E_RNA) where: Base-Base interactions energy: -1978.701 where: short stacking energy: -877.121 Base-Backbone interact. energy: -0.528 local terms energy: -883.473704 where: bonds (distance) C4'-P energy: -152.182 bonds (distance) P-C4' energy: -166.505 flat angles C4'-P-C4' energy: -187.353 flat angles P-C4'-P energy: -125.263 tors. eta vs tors. theta energy: -252.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2697.465956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.465956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.465956 (E_RNA) where: Base-Base interactions energy: -1843.774 where: short stacking energy: -790.222 Base-Backbone interact. energy: -2.259 local terms energy: -851.433229 where: bonds (distance) C4'-P energy: -161.216 bonds (distance) P-C4' energy: -152.564 flat angles C4'-P-C4' energy: -184.874 flat angles P-C4'-P energy: -133.521 tors. eta vs tors. theta energy: -219.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2558.262857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.262857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.262857 (E_RNA) where: Base-Base interactions energy: -1716.082 where: short stacking energy: -750.036 Base-Backbone interact. energy: -5.127 local terms energy: -837.053933 where: bonds (distance) C4'-P energy: -159.665 bonds (distance) P-C4' energy: -170.685 flat angles C4'-P-C4' energy: -175.330 flat angles P-C4'-P energy: -116.219 tors. eta vs tors. theta energy: -215.155 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: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2494.427915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.427915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.427915 (E_RNA) where: Base-Base interactions energy: -1715.435 where: short stacking energy: -741.978 Base-Backbone interact. energy: -0.139 local terms energy: -778.853793 where: bonds (distance) C4'-P energy: -159.307 bonds (distance) P-C4' energy: -171.212 flat angles C4'-P-C4' energy: -143.505 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -204.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2231.136414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.136414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.136414 (E_RNA) where: Base-Base interactions energy: -1506.119 where: short stacking energy: -691.601 Base-Backbone interact. energy: -2.869 local terms energy: -722.148829 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -161.053 flat angles C4'-P-C4' energy: -160.845 flat angles P-C4'-P energy: -81.040 tors. eta vs tors. theta energy: -172.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1870.118178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.118178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.118178 (E_RNA) where: Base-Base interactions energy: -1252.886 where: short stacking energy: -556.441 Base-Backbone interact. energy: 0.210 local terms energy: -617.442153 where: bonds (distance) C4'-P energy: -130.769 bonds (distance) P-C4' energy: -126.654 flat angles C4'-P-C4' energy: -147.338 flat angles P-C4'-P energy: -95.310 tors. eta vs tors. theta energy: -117.371 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: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1788.524229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.524229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.524229 (E_RNA) where: Base-Base interactions energy: -1132.504 where: short stacking energy: -525.875 Base-Backbone interact. energy: -1.571 local terms energy: -654.448632 where: bonds (distance) C4'-P energy: -133.788 bonds (distance) P-C4' energy: -153.147 flat angles C4'-P-C4' energy: -155.208 flat angles P-C4'-P energy: -105.186 tors. eta vs tors. theta energy: -107.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1410.802286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.802286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.802286 (E_RNA) where: Base-Base interactions energy: -820.335 where: short stacking energy: -412.497 Base-Backbone interact. energy: -1.800 local terms energy: -588.666836 where: bonds (distance) C4'-P energy: -143.323 bonds (distance) P-C4' energy: -153.992 flat angles C4'-P-C4' energy: -137.511 flat angles P-C4'-P energy: -102.935 tors. eta vs tors. theta energy: -50.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -853.527466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.527466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.527466 (E_RNA) where: Base-Base interactions energy: -415.003 where: short stacking energy: -280.456 Base-Backbone interact. energy: 2.746 local terms energy: -441.270546 where: bonds (distance) C4'-P energy: -118.645 bonds (distance) P-C4' energy: -141.338 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: 3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2927.684374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.684374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.684374 (E_RNA) where: Base-Base interactions energy: -2057.998 where: short stacking energy: -863.479 Base-Backbone interact. energy: -5.247 local terms energy: -864.438867 where: bonds (distance) C4'-P energy: -147.346 bonds (distance) P-C4' energy: -159.483 flat angles C4'-P-C4' energy: -185.563 flat angles P-C4'-P energy: -124.676 tors. eta vs tors. theta energy: -247.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2832.064193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.064193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.064193 (E_RNA) where: Base-Base interactions energy: -1957.941 where: short stacking energy: -851.343 Base-Backbone interact. energy: -0.349 local terms energy: -873.774410 where: bonds (distance) C4'-P energy: -152.711 bonds (distance) P-C4' energy: -156.279 flat angles C4'-P-C4' energy: -195.261 flat angles P-C4'-P energy: -127.316 tors. eta vs tors. theta energy: -242.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2667.869564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.869564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.869564 (E_RNA) where: Base-Base interactions energy: -1840.888 where: short stacking energy: -810.510 Base-Backbone interact. energy: 0.679 local terms energy: -827.659774 where: bonds (distance) C4'-P energy: -161.488 bonds (distance) P-C4' energy: -147.045 flat angles C4'-P-C4' energy: -172.049 flat angles P-C4'-P energy: -118.516 tors. eta vs tors. theta energy: -228.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2557.364606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.364606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.364606 (E_RNA) where: Base-Base interactions energy: -1748.743 where: short stacking energy: -772.231 Base-Backbone interact. energy: -3.274 local terms energy: -805.347555 where: bonds (distance) C4'-P energy: -140.980 bonds (distance) P-C4' energy: -167.558 flat angles C4'-P-C4' energy: -176.212 flat angles P-C4'-P energy: -106.250 tors. eta vs tors. theta energy: -214.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2485.837150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.837150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.837150 (E_RNA) where: Base-Base interactions energy: -1722.990 where: short stacking energy: -728.031 Base-Backbone interact. energy: -3.847 local terms energy: -758.999712 where: bonds (distance) C4'-P energy: -146.088 bonds (distance) P-C4' energy: -161.621 flat angles C4'-P-C4' energy: -151.857 flat angles P-C4'-P energy: -94.465 tors. eta vs tors. theta energy: -204.970 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: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2229.847633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.847633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.847633 (E_RNA) where: Base-Base interactions energy: -1508.797 where: short stacking energy: -686.438 Base-Backbone interact. energy: -4.160 local terms energy: -716.891134 where: bonds (distance) C4'-P energy: -149.921 bonds (distance) P-C4' energy: -134.196 flat angles C4'-P-C4' energy: -165.574 flat angles P-C4'-P energy: -99.159 tors. eta vs tors. theta energy: -168.042 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: 7 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1919.054664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.054664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.054664 (E_RNA) where: Base-Base interactions energy: -1259.892 where: short stacking energy: -569.968 Base-Backbone interact. energy: -2.406 local terms energy: -656.756883 where: bonds (distance) C4'-P energy: -139.195 bonds (distance) P-C4' energy: -123.423 flat angles C4'-P-C4' energy: -161.710 flat angles P-C4'-P energy: -113.071 tors. eta vs tors. theta energy: -119.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1805.458326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.458326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.458326 (E_RNA) where: Base-Base interactions energy: -1173.058 where: short stacking energy: -513.066 Base-Backbone interact. energy: -2.651 local terms energy: -629.749555 where: bonds (distance) C4'-P energy: -112.316 bonds (distance) P-C4' energy: -146.660 flat angles C4'-P-C4' energy: -164.325 flat angles P-C4'-P energy: -91.277 tors. eta vs tors. theta energy: -115.172 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: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1435.666517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.666517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.666517 (E_RNA) where: Base-Base interactions energy: -859.999 where: short stacking energy: -417.533 Base-Backbone interact. energy: -3.079 local terms energy: -572.588670 where: bonds (distance) C4'-P energy: -148.895 bonds (distance) P-C4' energy: -147.422 flat angles C4'-P-C4' energy: -134.673 flat angles P-C4'-P energy: -68.625 tors. eta vs tors. theta energy: -72.973 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: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -855.895757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.895757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.895757 (E_RNA) where: Base-Base interactions energy: -394.325 where: short stacking energy: -223.727 Base-Backbone interact. energy: 4.555 local terms energy: -466.126422 where: bonds (distance) C4'-P energy: -132.914 bonds (distance) P-C4' energy: -127.379 flat angles C4'-P-C4' energy: -132.320 flat angles P-C4'-P energy: -73.563 tors. eta vs tors. theta energy: 0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2943.713491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.713491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.713491 (E_RNA) where: Base-Base interactions energy: -2073.754 where: short stacking energy: -875.837 Base-Backbone interact. energy: 1.221 local terms energy: -871.180456 where: bonds (distance) C4'-P energy: -178.000 bonds (distance) P-C4' energy: -173.460 flat angles C4'-P-C4' energy: -182.778 flat angles P-C4'-P energy: -108.207 tors. eta vs tors. theta energy: -228.736 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: 202 Temperature: 0.950000 Total energy: -2829.332198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.332198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.332198 (E_RNA) where: Base-Base interactions energy: -1935.451 where: short stacking energy: -854.133 Base-Backbone interact. energy: -0.874 local terms energy: -893.007436 where: bonds (distance) C4'-P energy: -164.180 bonds (distance) P-C4' energy: -168.496 flat angles C4'-P-C4' energy: -190.983 flat angles P-C4'-P energy: -115.978 tors. eta vs tors. theta energy: -253.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2673.462253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.462253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.462253 (E_RNA) where: Base-Base interactions energy: -1873.960 where: short stacking energy: -813.476 Base-Backbone interact. energy: -0.195 local terms energy: -799.306553 where: bonds (distance) C4'-P energy: -151.779 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -184.053 flat angles P-C4'-P energy: -107.195 tors. eta vs tors. theta energy: -208.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2561.267016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.267016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.267016 (E_RNA) where: Base-Base interactions energy: -1763.011 where: short stacking energy: -776.241 Base-Backbone interact. energy: -0.399 local terms energy: -797.857626 where: bonds (distance) C4'-P energy: -145.538 bonds (distance) P-C4' energy: -162.568 flat angles C4'-P-C4' energy: -180.161 flat angles P-C4'-P energy: -113.102 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: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2471.932749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.932749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.932749 (E_RNA) where: Base-Base interactions energy: -1704.969 where: short stacking energy: -739.372 Base-Backbone interact. energy: -1.314 local terms energy: -765.648926 where: bonds (distance) C4'-P energy: -121.450 bonds (distance) P-C4' energy: -165.824 flat angles C4'-P-C4' energy: -172.070 flat angles P-C4'-P energy: -107.218 tors. eta vs tors. theta energy: -199.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2226.160553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.160553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.160553 (E_RNA) where: Base-Base interactions energy: -1480.385 where: short stacking energy: -627.093 Base-Backbone interact. energy: -1.891 local terms energy: -743.885116 where: bonds (distance) C4'-P energy: -148.542 bonds (distance) P-C4' energy: -151.671 flat angles C4'-P-C4' energy: -158.821 flat angles P-C4'-P energy: -109.178 tors. eta vs tors. theta energy: -175.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1880.331560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.331560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.331560 (E_RNA) where: Base-Base interactions energy: -1234.046 where: short stacking energy: -589.241 Base-Backbone interact. energy: 0.872 local terms energy: -647.158384 where: bonds (distance) C4'-P energy: -120.097 bonds (distance) P-C4' energy: -154.630 flat angles C4'-P-C4' energy: -148.597 flat angles P-C4'-P energy: -100.453 tors. eta vs tors. theta energy: -123.381 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: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1790.291534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.291534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.291534 (E_RNA) where: Base-Base interactions energy: -1153.175 where: short stacking energy: -520.205 Base-Backbone interact. energy: 0.005 local terms energy: -637.121846 where: bonds (distance) C4'-P energy: -143.158 bonds (distance) P-C4' energy: -164.953 flat angles C4'-P-C4' energy: -150.303 flat angles P-C4'-P energy: -88.384 tors. eta vs tors. theta energy: -90.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1388.439391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.439391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.439391 (E_RNA) where: Base-Base interactions energy: -854.618 where: short stacking energy: -395.162 Base-Backbone interact. energy: 4.308 local terms energy: -538.129412 where: bonds (distance) C4'-P energy: -141.575 bonds (distance) P-C4' energy: -158.335 flat angles C4'-P-C4' energy: -115.371 flat angles P-C4'-P energy: -72.102 tors. eta vs tors. theta energy: -50.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -886.910155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.910155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.910155 (E_RNA) where: Base-Base interactions energy: -453.978 where: short stacking energy: -263.998 Base-Backbone interact. energy: 7.920 local terms energy: -440.851739 where: bonds (distance) C4'-P energy: -129.450 bonds (distance) P-C4' energy: -128.174 flat angles C4'-P-C4' energy: -106.434 flat angles P-C4'-P energy: -73.170 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2974.731958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.731958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.731958 (E_RNA) where: Base-Base interactions energy: -2108.595 where: short stacking energy: -898.239 Base-Backbone interact. energy: 0.910 local terms energy: -867.047254 where: bonds (distance) C4'-P energy: -161.560 bonds (distance) P-C4' energy: -165.548 flat angles C4'-P-C4' energy: -185.247 flat angles P-C4'-P energy: -116.563 tors. eta vs tors. theta energy: -238.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2858.312603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.312603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.312603 (E_RNA) where: Base-Base interactions energy: -1947.719 where: short stacking energy: -848.368 Base-Backbone interact. energy: -2.906 local terms energy: -907.687535 where: bonds (distance) C4'-P energy: -157.922 bonds (distance) P-C4' energy: -179.492 flat angles C4'-P-C4' energy: -195.132 flat angles P-C4'-P energy: -117.795 tors. eta vs tors. theta energy: -257.347 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: 6 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2725.229007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.229007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.229007 (E_RNA) where: Base-Base interactions energy: -1886.464 where: short stacking energy: -851.799 Base-Backbone interact. energy: 1.236 local terms energy: -840.001261 where: bonds (distance) C4'-P energy: -163.312 bonds (distance) P-C4' energy: -141.424 flat angles C4'-P-C4' energy: -183.644 flat angles P-C4'-P energy: -113.472 tors. eta vs tors. theta energy: -238.149 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: 203 Temperature: 1.050000 Total energy: -2631.901964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.901964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.901964 (E_RNA) where: Base-Base interactions energy: -1798.567 where: short stacking energy: -802.918 Base-Backbone interact. energy: -2.051 local terms energy: -831.284048 where: bonds (distance) C4'-P energy: -156.023 bonds (distance) P-C4' energy: -144.303 flat angles C4'-P-C4' energy: -185.493 flat angles P-C4'-P energy: -124.054 tors. eta vs tors. theta energy: -221.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2498.439169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.439169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.439169 (E_RNA) where: Base-Base interactions energy: -1676.635 where: short stacking energy: -735.524 Base-Backbone interact. energy: -4.502 local terms energy: -817.302673 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -161.648 flat angles C4'-P-C4' energy: -181.493 flat angles P-C4'-P energy: -107.748 tors. eta vs tors. theta energy: -210.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2241.612748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.612748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.612748 (E_RNA) where: Base-Base interactions energy: -1520.216 where: short stacking energy: -646.639 Base-Backbone interact. energy: -3.547 local terms energy: -717.849887 where: bonds (distance) C4'-P energy: -143.691 bonds (distance) P-C4' energy: -152.523 flat angles C4'-P-C4' energy: -165.039 flat angles P-C4'-P energy: -94.197 tors. eta vs tors. theta energy: -162.399 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: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1845.728605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.728605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.728605 (E_RNA) where: Base-Base interactions energy: -1179.395 where: short stacking energy: -553.137 Base-Backbone interact. energy: -2.127 local terms energy: -664.206870 where: bonds (distance) C4'-P energy: -138.458 bonds (distance) P-C4' energy: -132.971 flat angles C4'-P-C4' energy: -156.284 flat angles P-C4'-P energy: -96.954 tors. eta vs tors. theta energy: -139.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1792.762982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.762982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.762982 (E_RNA) where: Base-Base interactions energy: -1175.851 where: short stacking energy: -544.098 Base-Backbone interact. energy: 4.260 local terms energy: -621.171734 where: bonds (distance) C4'-P energy: -115.400 bonds (distance) P-C4' energy: -142.373 flat angles C4'-P-C4' energy: -151.457 flat angles P-C4'-P energy: -96.927 tors. eta vs tors. theta energy: -115.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1430.982103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.982103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.982103 (E_RNA) where: Base-Base interactions energy: -862.296 where: short stacking energy: -391.295 Base-Backbone interact. energy: 2.237 local terms energy: -570.922523 where: bonds (distance) C4'-P energy: -114.857 bonds (distance) P-C4' energy: -133.345 flat angles C4'-P-C4' energy: -156.823 flat angles P-C4'-P energy: -94.370 tors. eta vs tors. theta energy: -71.527 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: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -932.497469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.497469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.497469 (E_RNA) where: Base-Base interactions energy: -476.371 where: short stacking energy: -263.211 Base-Backbone interact. energy: 4.974 local terms energy: -461.100838 where: bonds (distance) C4'-P energy: -127.171 bonds (distance) P-C4' energy: -140.255 flat angles C4'-P-C4' energy: -114.356 flat angles P-C4'-P energy: -83.354 tors. eta vs tors. theta energy: 4.036 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: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2995.974639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.974639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.974639 (E_RNA) where: Base-Base interactions energy: -2080.221 where: short stacking energy: -870.483 Base-Backbone interact. energy: -2.163 local terms energy: -913.590462 where: bonds (distance) C4'-P energy: -177.918 bonds (distance) P-C4' energy: -178.142 flat angles C4'-P-C4' energy: -190.868 flat angles P-C4'-P energy: -120.007 tors. eta vs tors. theta energy: -246.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2846.977010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.977010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.977010 (E_RNA) where: Base-Base interactions energy: -1956.667 where: short stacking energy: -854.074 Base-Backbone interact. energy: -4.464 local terms energy: -885.845693 where: bonds (distance) C4'-P energy: -162.320 bonds (distance) P-C4' energy: -159.445 flat angles C4'-P-C4' energy: -195.547 flat angles P-C4'-P energy: -128.677 tors. eta vs tors. theta energy: -239.856 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: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2703.109461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.109461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.109461 (E_RNA) where: Base-Base interactions energy: -1857.996 where: short stacking energy: -804.013 Base-Backbone interact. energy: -4.190 local terms energy: -840.922981 where: bonds (distance) C4'-P energy: -152.611 bonds (distance) P-C4' energy: -173.530 flat angles C4'-P-C4' energy: -167.539 flat angles P-C4'-P energy: -117.574 tors. eta vs tors. theta energy: -229.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2628.035626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.035626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.035626 (E_RNA) where: Base-Base interactions energy: -1836.199 where: short stacking energy: -790.005 Base-Backbone interact. energy: -4.906 local terms energy: -786.930564 where: bonds (distance) C4'-P energy: -154.285 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -176.295 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -212.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2460.849992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.849992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.849992 (E_RNA) where: Base-Base interactions energy: -1674.141 where: short stacking energy: -692.641 Base-Backbone interact. energy: -2.163 local terms energy: -784.545350 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -150.514 flat angles C4'-P-C4' energy: -167.223 flat angles P-C4'-P energy: -118.404 tors. eta vs tors. theta energy: -193.980 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: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2223.725209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.725209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.725209 (E_RNA) where: Base-Base interactions energy: -1500.393 where: short stacking energy: -670.709 Base-Backbone interact. energy: -1.471 local terms energy: -721.860894 where: bonds (distance) C4'-P energy: -147.097 bonds (distance) P-C4' energy: -139.036 flat angles C4'-P-C4' energy: -156.745 flat angles P-C4'-P energy: -113.860 tors. eta vs tors. theta energy: -165.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1894.319510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.319510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.319510 (E_RNA) where: Base-Base interactions energy: -1226.827 where: short stacking energy: -566.386 Base-Backbone interact. energy: 5.593 local terms energy: -673.085630 where: bonds (distance) C4'-P energy: -143.966 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -162.904 flat angles P-C4'-P energy: -97.164 tors. eta vs tors. theta energy: -128.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1783.161172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.161172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.161172 (E_RNA) where: Base-Base interactions energy: -1175.004 where: short stacking energy: -527.373 Base-Backbone interact. energy: -0.744 local terms energy: -607.412975 where: bonds (distance) C4'-P energy: -150.944 bonds (distance) P-C4' energy: -136.267 flat angles C4'-P-C4' energy: -137.845 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -99.059 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: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1443.040281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.040281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.040281 (E_RNA) where: Base-Base interactions energy: -888.226 where: short stacking energy: -401.576 Base-Backbone interact. energy: -4.458 local terms energy: -550.355776 where: bonds (distance) C4'-P energy: -132.445 bonds (distance) P-C4' energy: -146.897 flat angles C4'-P-C4' energy: -123.835 flat angles P-C4'-P energy: -94.173 tors. eta vs tors. theta energy: -53.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -953.863082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.863082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.863082 (E_RNA) where: Base-Base interactions energy: -484.269 where: short stacking energy: -262.477 Base-Backbone interact. energy: 14.150 local terms energy: -483.744860 where: bonds (distance) C4'-P energy: -124.557 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -136.966 flat angles P-C4'-P energy: -79.306 tors. eta vs tors. theta energy: 8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2993.890697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.890697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.890697 (E_RNA) where: Base-Base interactions energy: -2109.248 where: short stacking energy: -878.205 Base-Backbone interact. energy: 1.544 local terms energy: -886.187163 where: bonds (distance) C4'-P energy: -156.051 bonds (distance) P-C4' energy: -170.257 flat angles C4'-P-C4' energy: -197.999 flat angles P-C4'-P energy: -129.065 tors. eta vs tors. theta energy: -232.815 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: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2879.194762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.194762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.194762 (E_RNA) where: Base-Base interactions energy: -1989.461 where: short stacking energy: -892.976 Base-Backbone interact. energy: -2.072 local terms energy: -887.662133 where: bonds (distance) C4'-P energy: -157.767 bonds (distance) P-C4' energy: -153.937 flat angles C4'-P-C4' energy: -202.416 flat angles P-C4'-P energy: -108.479 tors. eta vs tors. theta energy: -265.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2658.446182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.446182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.446182 (E_RNA) where: Base-Base interactions energy: -1815.826 where: short stacking energy: -798.239 Base-Backbone interact. energy: -4.169 local terms energy: -838.451739 where: bonds (distance) C4'-P energy: -158.108 bonds (distance) P-C4' energy: -171.955 flat angles C4'-P-C4' energy: -190.719 flat angles P-C4'-P energy: -100.057 tors. eta vs tors. theta energy: -217.613 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: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2656.929220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.929220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.929220 (E_RNA) where: Base-Base interactions energy: -1846.110 where: short stacking energy: -784.059 Base-Backbone interact. energy: -3.406 local terms energy: -807.413271 where: bonds (distance) C4'-P energy: -148.308 bonds (distance) P-C4' energy: -148.898 flat angles C4'-P-C4' energy: -174.622 flat angles P-C4'-P energy: -114.676 tors. eta vs tors. theta energy: -220.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2478.228573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.228573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.228573 (E_RNA) where: Base-Base interactions energy: -1717.250 where: short stacking energy: -721.750 Base-Backbone interact. energy: 1.215 local terms energy: -762.193413 where: bonds (distance) C4'-P energy: -147.485 bonds (distance) P-C4' energy: -161.380 flat angles C4'-P-C4' energy: -160.563 flat angles P-C4'-P energy: -107.340 tors. eta vs tors. theta energy: -185.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2189.518310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.518310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.518310 (E_RNA) where: Base-Base interactions energy: -1490.330 where: short stacking energy: -641.086 Base-Backbone interact. energy: -2.955 local terms energy: -696.233740 where: bonds (distance) C4'-P energy: -128.018 bonds (distance) P-C4' energy: -149.431 flat angles C4'-P-C4' energy: -157.390 flat angles P-C4'-P energy: -93.855 tors. eta vs tors. theta energy: -167.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1899.818003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.818003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.818003 (E_RNA) where: Base-Base interactions energy: -1226.663 where: short stacking energy: -569.354 Base-Backbone interact. energy: -1.301 local terms energy: -671.854251 where: bonds (distance) C4'-P energy: -149.409 bonds (distance) P-C4' energy: -136.324 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -98.990 tors. eta vs tors. theta energy: -127.804 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: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1742.151343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.151343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.151343 (E_RNA) where: Base-Base interactions energy: -1130.850 where: short stacking energy: -514.721 Base-Backbone interact. energy: 3.156 local terms energy: -614.456726 where: bonds (distance) C4'-P energy: -140.156 bonds (distance) P-C4' energy: -131.696 flat angles C4'-P-C4' energy: -139.951 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -114.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1432.301687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.301687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.301687 (E_RNA) where: Base-Base interactions energy: -911.043 where: short stacking energy: -429.691 Base-Backbone interact. energy: -3.800 local terms energy: -517.458440 where: bonds (distance) C4'-P energy: -112.634 bonds (distance) P-C4' energy: -131.257 flat angles C4'-P-C4' energy: -136.160 flat angles P-C4'-P energy: -67.987 tors. eta vs tors. theta energy: -69.419 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: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -959.186873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.186873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.186873 (E_RNA) where: Base-Base interactions energy: -479.337 where: short stacking energy: -269.184 Base-Backbone interact. energy: 0.473 local terms energy: -480.323420 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -145.365 flat angles C4'-P-C4' energy: -122.826 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3020.803651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.803651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.803651 (E_RNA) where: Base-Base interactions energy: -2100.411 where: short stacking energy: -856.646 Base-Backbone interact. energy: -2.673 local terms energy: -917.719355 where: bonds (distance) C4'-P energy: -176.534 bonds (distance) P-C4' energy: -183.561 flat angles C4'-P-C4' energy: -184.132 flat angles P-C4'-P energy: -130.861 tors. eta vs tors. theta energy: -242.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2863.029815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.029815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.029815 (E_RNA) where: Base-Base interactions energy: -1956.729 where: short stacking energy: -871.135 Base-Backbone interact. energy: -2.118 local terms energy: -904.182643 where: bonds (distance) C4'-P energy: -168.034 bonds (distance) P-C4' energy: -167.493 flat angles C4'-P-C4' energy: -190.157 flat angles P-C4'-P energy: -127.923 tors. eta vs tors. theta energy: -250.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2664.456956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.456956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.456956 (E_RNA) where: Base-Base interactions energy: -1816.128 where: short stacking energy: -818.941 Base-Backbone interact. energy: -4.937 local terms energy: -843.391450 where: bonds (distance) C4'-P energy: -134.433 bonds (distance) P-C4' energy: -156.708 flat angles C4'-P-C4' energy: -193.634 flat angles P-C4'-P energy: -133.149 tors. eta vs tors. theta energy: -225.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2648.465640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.465640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.465640 (E_RNA) where: Base-Base interactions energy: -1846.898 where: short stacking energy: -811.026 Base-Backbone interact. energy: 1.258 local terms energy: -802.825509 where: bonds (distance) C4'-P energy: -150.349 bonds (distance) P-C4' energy: -163.807 flat angles C4'-P-C4' energy: -168.177 flat angles P-C4'-P energy: -107.214 tors. eta vs tors. theta energy: -213.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2549.047729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.047729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.047729 (E_RNA) where: Base-Base interactions energy: -1782.937 where: short stacking energy: -754.233 Base-Backbone interact. energy: 1.302 local terms energy: -767.412973 where: bonds (distance) C4'-P energy: -132.620 bonds (distance) P-C4' energy: -154.706 flat angles C4'-P-C4' energy: -183.623 flat angles P-C4'-P energy: -94.250 tors. eta vs tors. theta energy: -202.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2222.712654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.712654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.712654 (E_RNA) where: Base-Base interactions energy: -1526.874 where: short stacking energy: -675.205 Base-Backbone interact. energy: -4.853 local terms energy: -690.986020 where: bonds (distance) C4'-P energy: -142.787 bonds (distance) P-C4' energy: -142.075 flat angles C4'-P-C4' energy: -131.833 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -185.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1878.813695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.813695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.813695 (E_RNA) where: Base-Base interactions energy: -1261.882 where: short stacking energy: -605.607 Base-Backbone interact. energy: -1.241 local terms energy: -615.689919 where: bonds (distance) C4'-P energy: -108.393 bonds (distance) P-C4' energy: -128.900 flat angles C4'-P-C4' energy: -159.637 flat angles P-C4'-P energy: -83.069 tors. eta vs tors. theta energy: -135.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1659.272991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.272991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.272991 (E_RNA) where: Base-Base interactions energy: -1077.944 where: short stacking energy: -464.575 Base-Backbone interact. energy: -4.313 local terms energy: -577.016371 where: bonds (distance) C4'-P energy: -126.043 bonds (distance) P-C4' energy: -147.651 flat angles C4'-P-C4' energy: -139.798 flat angles P-C4'-P energy: -88.504 tors. eta vs tors. theta energy: -75.020 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: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1356.884816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.884816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.884816 (E_RNA) where: Base-Base interactions energy: -813.806 where: short stacking energy: -392.173 Base-Backbone interact. energy: 0.749 local terms energy: -543.827554 where: bonds (distance) C4'-P energy: -146.117 bonds (distance) P-C4' energy: -161.261 flat angles C4'-P-C4' energy: -122.195 flat angles P-C4'-P energy: -55.055 tors. eta vs tors. theta energy: -59.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -989.618582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.618582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.618582 (E_RNA) where: Base-Base interactions energy: -523.571 where: short stacking energy: -260.437 Base-Backbone interact. energy: -2.423 local terms energy: -463.624969 where: bonds (distance) C4'-P energy: -143.926 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -105.861 flat angles P-C4'-P energy: -68.783 tors. eta vs tors. theta energy: -1.598 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: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3004.417764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.417764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.417764 (E_RNA) where: Base-Base interactions energy: -2079.071 where: short stacking energy: -909.637 Base-Backbone interact. energy: -4.478 local terms energy: -920.868988 where: bonds (distance) C4'-P energy: -177.200 bonds (distance) P-C4' energy: -170.816 flat angles C4'-P-C4' energy: -188.286 flat angles P-C4'-P energy: -125.588 tors. eta vs tors. theta energy: -258.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2856.245820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.245820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.245820 (E_RNA) where: Base-Base interactions energy: -1968.439 where: short stacking energy: -856.516 Base-Backbone interact. energy: 0.221 local terms energy: -888.027707 where: bonds (distance) C4'-P energy: -170.454 bonds (distance) P-C4' energy: -165.347 flat angles C4'-P-C4' energy: -184.873 flat angles P-C4'-P energy: -116.512 tors. eta vs tors. theta energy: -250.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2682.968065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.968065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.968065 (E_RNA) where: Base-Base interactions energy: -1842.543 where: short stacking energy: -800.215 Base-Backbone interact. energy: -6.555 local terms energy: -833.869309 where: bonds (distance) C4'-P energy: -161.578 bonds (distance) P-C4' energy: -151.554 flat angles C4'-P-C4' energy: -180.896 flat angles P-C4'-P energy: -124.254 tors. eta vs tors. theta energy: -215.586 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: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2618.948958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.948958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.948958 (E_RNA) where: Base-Base interactions energy: -1783.538 where: short stacking energy: -752.952 Base-Backbone interact. energy: -3.452 local terms energy: -831.959015 where: bonds (distance) C4'-P energy: -154.715 bonds (distance) P-C4' energy: -166.330 flat angles C4'-P-C4' energy: -179.893 flat angles P-C4'-P energy: -124.962 tors. eta vs tors. theta energy: -206.059 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: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2509.504958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.504958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.504958 (E_RNA) where: Base-Base interactions energy: -1726.044 where: short stacking energy: -731.666 Base-Backbone interact. energy: 2.753 local terms energy: -786.214058 where: bonds (distance) C4'-P energy: -149.870 bonds (distance) P-C4' energy: -160.102 flat angles C4'-P-C4' energy: -161.510 flat angles P-C4'-P energy: -117.518 tors. eta vs tors. theta energy: -197.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2236.136552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.136552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.136552 (E_RNA) where: Base-Base interactions energy: -1526.042 where: short stacking energy: -683.509 Base-Backbone interact. energy: 0.791 local terms energy: -710.885648 where: bonds (distance) C4'-P energy: -129.335 bonds (distance) P-C4' energy: -141.623 flat angles C4'-P-C4' energy: -159.440 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -180.412 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: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1959.577166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.577166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.577166 (E_RNA) where: Base-Base interactions energy: -1276.369 where: short stacking energy: -592.666 Base-Backbone interact. energy: -2.161 local terms energy: -681.046911 where: bonds (distance) C4'-P energy: -131.015 bonds (distance) P-C4' energy: -141.928 flat angles C4'-P-C4' energy: -151.200 flat angles P-C4'-P energy: -108.592 tors. eta vs tors. theta energy: -148.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1613.298816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.298816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.298816 (E_RNA) where: Base-Base interactions energy: -1040.968 where: short stacking energy: -474.909 Base-Backbone interact. energy: -7.764 local terms energy: -564.567206 where: bonds (distance) C4'-P energy: -133.970 bonds (distance) P-C4' energy: -124.292 flat angles C4'-P-C4' energy: -145.492 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -78.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1402.911162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.911162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.911162 (E_RNA) where: Base-Base interactions energy: -865.336 where: short stacking energy: -426.639 Base-Backbone interact. energy: -0.784 local terms energy: -536.790917 where: bonds (distance) C4'-P energy: -121.014 bonds (distance) P-C4' energy: -130.450 flat angles C4'-P-C4' energy: -136.426 flat angles P-C4'-P energy: -79.825 tors. eta vs tors. theta energy: -69.076 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: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -997.242300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.242300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.242300 (E_RNA) where: Base-Base interactions energy: -506.865 where: short stacking energy: -259.125 Base-Backbone interact. energy: -0.544 local terms energy: -489.833579 where: bonds (distance) C4'-P energy: -113.693 bonds (distance) P-C4' energy: -157.198 flat angles C4'-P-C4' energy: -140.042 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2975.532927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.532927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.532927 (E_RNA) where: Base-Base interactions energy: -2106.841 where: short stacking energy: -882.593 Base-Backbone interact. energy: -3.907 local terms energy: -864.785312 where: bonds (distance) C4'-P energy: -164.780 bonds (distance) P-C4' energy: -144.239 flat angles C4'-P-C4' energy: -192.415 flat angles P-C4'-P energy: -130.393 tors. eta vs tors. theta energy: -232.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2863.644438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.644438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.644438 (E_RNA) where: Base-Base interactions energy: -1973.734 where: short stacking energy: -882.212 Base-Backbone interact. energy: -5.503 local terms energy: -884.407018 where: bonds (distance) C4'-P energy: -168.325 bonds (distance) P-C4' energy: -162.720 flat angles C4'-P-C4' energy: -192.020 flat angles P-C4'-P energy: -103.736 tors. eta vs tors. theta energy: -257.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2654.041665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.041665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.041665 (E_RNA) where: Base-Base interactions energy: -1807.776 where: short stacking energy: -792.994 Base-Backbone interact. energy: 1.941 local terms energy: -848.206654 where: bonds (distance) C4'-P energy: -174.349 bonds (distance) P-C4' energy: -142.631 flat angles C4'-P-C4' energy: -189.099 flat angles P-C4'-P energy: -120.782 tors. eta vs tors. theta energy: -221.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2588.195533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.195533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.195533 (E_RNA) where: Base-Base interactions energy: -1783.085 where: short stacking energy: -761.223 Base-Backbone interact. energy: -2.902 local terms energy: -802.208237 where: bonds (distance) C4'-P energy: -154.352 bonds (distance) P-C4' energy: -155.315 flat angles C4'-P-C4' energy: -185.248 flat angles P-C4'-P energy: -113.747 tors. eta vs tors. theta energy: -193.546 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: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2545.406124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.406124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.406124 (E_RNA) where: Base-Base interactions energy: -1769.390 where: short stacking energy: -741.539 Base-Backbone interact. energy: -3.816 local terms energy: -772.199476 where: bonds (distance) C4'-P energy: -138.999 bonds (distance) P-C4' energy: -139.159 flat angles C4'-P-C4' energy: -166.093 flat angles P-C4'-P energy: -113.359 tors. eta vs tors. theta energy: -214.590 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: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2279.779516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.779516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.779516 (E_RNA) where: Base-Base interactions energy: -1539.506 where: short stacking energy: -664.918 Base-Backbone interact. energy: -4.808 local terms energy: -735.465456 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -157.157 flat angles C4'-P-C4' energy: -170.451 flat angles P-C4'-P energy: -103.897 tors. eta vs tors. theta energy: -176.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1939.023324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.023324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.023324 (E_RNA) where: Base-Base interactions energy: -1254.890 where: short stacking energy: -590.492 Base-Backbone interact. energy: -0.873 local terms energy: -683.259606 where: bonds (distance) C4'-P energy: -133.197 bonds (distance) P-C4' energy: -156.156 flat angles C4'-P-C4' energy: -138.434 flat angles P-C4'-P energy: -108.937 tors. eta vs tors. theta energy: -146.535 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: 208 Temperature: 1.250000 Total energy: -1628.426506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.426506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.426506 (E_RNA) where: Base-Base interactions energy: -1015.286 where: short stacking energy: -461.115 Base-Backbone interact. energy: -2.545 local terms energy: -610.595642 where: bonds (distance) C4'-P energy: -133.654 bonds (distance) P-C4' energy: -143.968 flat angles C4'-P-C4' energy: -146.715 flat angles P-C4'-P energy: -97.313 tors. eta vs tors. theta energy: -88.945 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: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1416.995141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.995141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.995141 (E_RNA) where: Base-Base interactions energy: -865.889 where: short stacking energy: -383.275 Base-Backbone interact. energy: -4.453 local terms energy: -546.652943 where: bonds (distance) C4'-P energy: -125.862 bonds (distance) P-C4' energy: -145.919 flat angles C4'-P-C4' energy: -140.612 flat angles P-C4'-P energy: -63.875 tors. eta vs tors. theta energy: -70.384 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: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -997.252842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.252842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.252842 (E_RNA) where: Base-Base interactions energy: -533.102 where: short stacking energy: -304.835 Base-Backbone interact. energy: 1.573 local terms energy: -465.722904 where: bonds (distance) C4'-P energy: -142.413 bonds (distance) P-C4' energy: -135.906 flat angles C4'-P-C4' energy: -115.082 flat angles P-C4'-P energy: -53.664 tors. eta vs tors. theta energy: -18.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2970.727434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.727434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.727434 (E_RNA) where: Base-Base interactions energy: -2101.129 where: short stacking energy: -869.894 Base-Backbone interact. energy: -6.524 local terms energy: -863.073976 where: bonds (distance) C4'-P energy: -156.709 bonds (distance) P-C4' energy: -175.937 flat angles C4'-P-C4' energy: -191.902 flat angles P-C4'-P energy: -109.522 tors. eta vs tors. theta energy: -229.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2885.746081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.746081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.746081 (E_RNA) where: Base-Base interactions energy: -2008.273 where: short stacking energy: -892.824 Base-Backbone interact. energy: -1.801 local terms energy: -875.672575 where: bonds (distance) C4'-P energy: -171.117 bonds (distance) P-C4' energy: -160.521 flat angles C4'-P-C4' energy: -176.434 flat angles P-C4'-P energy: -113.091 tors. eta vs tors. theta energy: -254.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2641.228570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.228570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.228570 (E_RNA) where: Base-Base interactions energy: -1820.632 where: short stacking energy: -816.516 Base-Backbone interact. energy: 10.498 local terms energy: -831.094899 where: bonds (distance) C4'-P energy: -152.265 bonds (distance) P-C4' energy: -167.353 flat angles C4'-P-C4' energy: -178.787 flat angles P-C4'-P energy: -127.063 tors. eta vs tors. theta energy: -205.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2724.323408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.323408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.323408 (E_RNA) where: Base-Base interactions energy: -1889.908 where: short stacking energy: -804.096 Base-Backbone interact. energy: -1.339 local terms energy: -833.076095 where: bonds (distance) C4'-P energy: -167.506 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -194.101 flat angles P-C4'-P energy: -111.653 tors. eta vs tors. theta energy: -221.210 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: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2560.085354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.085354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.085354 (E_RNA) where: Base-Base interactions energy: -1760.106 where: short stacking energy: -743.615 Base-Backbone interact. energy: -3.160 local terms energy: -796.819903 where: bonds (distance) C4'-P energy: -164.251 bonds (distance) P-C4' energy: -148.161 flat angles C4'-P-C4' energy: -162.262 flat angles P-C4'-P energy: -113.811 tors. eta vs tors. theta energy: -208.335 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: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2242.507583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.507583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.507583 (E_RNA) where: Base-Base interactions energy: -1487.110 where: short stacking energy: -664.429 Base-Backbone interact. energy: -1.110 local terms energy: -754.287197 where: bonds (distance) C4'-P energy: -158.951 bonds (distance) P-C4' energy: -143.337 flat angles C4'-P-C4' energy: -165.511 flat angles P-C4'-P energy: -114.230 tors. eta vs tors. theta energy: -172.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1928.809519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.809519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.809519 (E_RNA) where: Base-Base interactions energy: -1297.109 where: short stacking energy: -604.976 Base-Backbone interact. energy: 1.151 local terms energy: -632.851508 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -131.703 flat angles C4'-P-C4' energy: -150.081 flat angles P-C4'-P energy: -103.226 tors. eta vs tors. theta energy: -130.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1581.137807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.137807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.137807 (E_RNA) where: Base-Base interactions energy: -1003.640 where: short stacking energy: -465.469 Base-Backbone interact. energy: 8.761 local terms energy: -586.259288 where: bonds (distance) C4'-P energy: -156.400 bonds (distance) P-C4' energy: -139.366 flat angles C4'-P-C4' energy: -128.622 flat angles P-C4'-P energy: -82.318 tors. eta vs tors. theta energy: -79.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1388.650595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.650595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.650595 (E_RNA) where: Base-Base interactions energy: -829.639 where: short stacking energy: -405.925 Base-Backbone interact. energy: -1.816 local terms energy: -557.194634 where: bonds (distance) C4'-P energy: -142.560 bonds (distance) P-C4' energy: -143.472 flat angles C4'-P-C4' energy: -141.769 flat angles P-C4'-P energy: -72.488 tors. eta vs tors. theta energy: -56.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -902.420829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.420829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.420829 (E_RNA) where: Base-Base interactions energy: -473.617 where: short stacking energy: -277.527 Base-Backbone interact. energy: 6.293 local terms energy: -435.096634 where: bonds (distance) C4'-P energy: -137.899 bonds (distance) P-C4' energy: -119.316 flat angles C4'-P-C4' energy: -107.168 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: 6.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2967.526167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.526167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.526167 (E_RNA) where: Base-Base interactions energy: -2097.233 where: short stacking energy: -871.188 Base-Backbone interact. energy: 0.568 local terms energy: -870.861112 where: bonds (distance) C4'-P energy: -177.524 bonds (distance) P-C4' energy: -151.420 flat angles C4'-P-C4' energy: -194.284 flat angles P-C4'-P energy: -114.948 tors. eta vs tors. theta energy: -232.685 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: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2870.314476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.314476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.314476 (E_RNA) where: Base-Base interactions energy: -1977.458 where: short stacking energy: -888.686 Base-Backbone interact. energy: -2.820 local terms energy: -890.036727 where: bonds (distance) C4'-P energy: -163.313 bonds (distance) P-C4' energy: -180.185 flat angles C4'-P-C4' energy: -178.641 flat angles P-C4'-P energy: -120.394 tors. eta vs tors. theta energy: -247.503 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: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2742.769657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.769657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.769657 (E_RNA) where: Base-Base interactions energy: -1929.570 where: short stacking energy: -803.291 Base-Backbone interact. energy: -0.773 local terms energy: -812.427051 where: bonds (distance) C4'-P energy: -140.767 bonds (distance) P-C4' energy: -150.122 flat angles C4'-P-C4' energy: -174.111 flat angles P-C4'-P energy: -122.227 tors. eta vs tors. theta energy: -225.199 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: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2584.165549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.165549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.165549 (E_RNA) where: Base-Base interactions energy: -1778.526 where: short stacking energy: -768.528 Base-Backbone interact. energy: -2.701 local terms energy: -802.937814 where: bonds (distance) C4'-P energy: -153.169 bonds (distance) P-C4' energy: -160.499 flat angles C4'-P-C4' energy: -166.614 flat angles P-C4'-P energy: -112.978 tors. eta vs tors. theta energy: -209.678 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: 5, replica: 5 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2546.041001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.041001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.041001 (E_RNA) where: Base-Base interactions energy: -1742.869 where: short stacking energy: -777.715 Base-Backbone interact. energy: 0.238 local terms energy: -803.409658 where: bonds (distance) C4'-P energy: -139.643 bonds (distance) P-C4' energy: -145.392 flat angles C4'-P-C4' energy: -184.217 flat angles P-C4'-P energy: -117.186 tors. eta vs tors. theta energy: -216.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2189.404302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.404302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.404302 (E_RNA) where: Base-Base interactions energy: -1477.410 where: short stacking energy: -659.531 Base-Backbone interact. energy: -6.113 local terms energy: -705.881095 where: bonds (distance) C4'-P energy: -131.774 bonds (distance) P-C4' energy: -156.350 flat angles C4'-P-C4' energy: -158.495 flat angles P-C4'-P energy: -94.175 tors. eta vs tors. theta energy: -165.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1857.931973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.931973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.931973 (E_RNA) where: Base-Base interactions energy: -1192.873 where: short stacking energy: -573.146 Base-Backbone interact. energy: 0.175 local terms energy: -665.234419 where: bonds (distance) C4'-P energy: -139.733 bonds (distance) P-C4' energy: -151.779 flat angles C4'-P-C4' energy: -143.157 flat angles P-C4'-P energy: -99.709 tors. eta vs tors. theta energy: -130.857 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: 210 Temperature: 1.250000 Total energy: -1569.550744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.550744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.550744 (E_RNA) where: Base-Base interactions energy: -1000.233 where: short stacking energy: -480.100 Base-Backbone interact. energy: -4.322 local terms energy: -564.995359 where: bonds (distance) C4'-P energy: -125.471 bonds (distance) P-C4' energy: -120.427 flat angles C4'-P-C4' energy: -133.871 flat angles P-C4'-P energy: -102.769 tors. eta vs tors. theta energy: -82.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1443.851911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.851911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.851911 (E_RNA) where: Base-Base interactions energy: -901.650 where: short stacking energy: -410.070 Base-Backbone interact. energy: -3.277 local terms energy: -538.925164 where: bonds (distance) C4'-P energy: -100.264 bonds (distance) P-C4' energy: -144.568 flat angles C4'-P-C4' energy: -146.932 flat angles P-C4'-P energy: -79.082 tors. eta vs tors. theta energy: -68.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -908.819450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.819450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.819450 (E_RNA) where: Base-Base interactions energy: -457.718 where: short stacking energy: -250.810 Base-Backbone interact. energy: -2.684 local terms energy: -448.417246 where: bonds (distance) C4'-P energy: -135.368 bonds (distance) P-C4' energy: -124.351 flat angles C4'-P-C4' energy: -101.024 flat angles P-C4'-P energy: -91.428 tors. eta vs tors. theta energy: 3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2965.261133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.261133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.261133 (E_RNA) where: Base-Base interactions energy: -2090.250 where: short stacking energy: -861.075 Base-Backbone interact. energy: -2.116 local terms energy: -872.894353 where: bonds (distance) C4'-P energy: -153.172 bonds (distance) P-C4' energy: -174.236 flat angles C4'-P-C4' energy: -179.680 flat angles P-C4'-P energy: -131.456 tors. eta vs tors. theta energy: -234.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2878.263041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.263041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.263041 (E_RNA) where: Base-Base interactions energy: -2016.061 where: short stacking energy: -895.159 Base-Backbone interact. energy: -5.351 local terms energy: -856.851896 where: bonds (distance) C4'-P energy: -137.609 bonds (distance) P-C4' energy: -168.290 flat angles C4'-P-C4' energy: -186.941 flat angles P-C4'-P energy: -112.498 tors. eta vs tors. theta energy: -251.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2712.478552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.478552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.478552 (E_RNA) where: Base-Base interactions energy: -1921.341 where: short stacking energy: -806.824 Base-Backbone interact. energy: 0.564 local terms energy: -791.701466 where: bonds (distance) C4'-P energy: -141.241 bonds (distance) P-C4' energy: -151.666 flat angles C4'-P-C4' energy: -167.339 flat angles P-C4'-P energy: -110.583 tors. eta vs tors. theta energy: -220.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2620.050019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.050019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.050019 (E_RNA) where: Base-Base interactions energy: -1787.073 where: short stacking energy: -797.980 Base-Backbone interact. energy: -6.545 local terms energy: -826.432228 where: bonds (distance) C4'-P energy: -156.812 bonds (distance) P-C4' energy: -168.192 flat angles C4'-P-C4' energy: -183.587 flat angles P-C4'-P energy: -106.622 tors. eta vs tors. theta energy: -211.219 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: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2443.799652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.799652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.799652 (E_RNA) where: Base-Base interactions energy: -1686.059 where: short stacking energy: -733.502 Base-Backbone interact. energy: -1.927 local terms energy: -755.813008 where: bonds (distance) C4'-P energy: -141.240 bonds (distance) P-C4' energy: -149.318 flat angles C4'-P-C4' energy: -174.962 flat angles P-C4'-P energy: -103.724 tors. eta vs tors. theta energy: -186.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2203.103398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.103398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.103398 (E_RNA) where: Base-Base interactions energy: -1471.236 where: short stacking energy: -644.346 Base-Backbone interact. energy: 0.378 local terms energy: -732.245806 where: bonds (distance) C4'-P energy: -143.990 bonds (distance) P-C4' energy: -161.463 flat angles C4'-P-C4' energy: -161.624 flat angles P-C4'-P energy: -98.568 tors. eta vs tors. theta energy: -166.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1840.301425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.301425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.301425 (E_RNA) where: Base-Base interactions energy: -1188.909 where: short stacking energy: -574.240 Base-Backbone interact. energy: -0.103 local terms energy: -651.290297 where: bonds (distance) C4'-P energy: -115.022 bonds (distance) P-C4' energy: -146.833 flat angles C4'-P-C4' energy: -163.551 flat angles P-C4'-P energy: -93.590 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: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1491.526026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.526026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.526026 (E_RNA) where: Base-Base interactions energy: -949.429 where: short stacking energy: -445.697 Base-Backbone interact. energy: -0.656 local terms energy: -541.440129 where: bonds (distance) C4'-P energy: -123.572 bonds (distance) P-C4' energy: -142.369 flat angles C4'-P-C4' energy: -129.457 flat angles P-C4'-P energy: -73.054 tors. eta vs tors. theta energy: -72.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1473.654662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.654662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.654662 (E_RNA) where: Base-Base interactions energy: -981.038 where: short stacking energy: -454.574 Base-Backbone interact. energy: 9.017 local terms energy: -501.633636 where: bonds (distance) C4'-P energy: -130.352 bonds (distance) P-C4' energy: -120.589 flat angles C4'-P-C4' energy: -103.959 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -71.198 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: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -861.266081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.266081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.266081 (E_RNA) where: Base-Base interactions energy: -441.453 where: short stacking energy: -250.504 Base-Backbone interact. energy: 1.192 local terms energy: -421.005652 where: bonds (distance) C4'-P energy: -153.096 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -98.554 flat angles P-C4'-P energy: -61.522 tors. eta vs tors. theta energy: 8.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2952.536649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.536649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.536649 (E_RNA) where: Base-Base interactions energy: -2082.369 where: short stacking energy: -868.518 Base-Backbone interact. energy: -0.191 local terms energy: -869.976319 where: bonds (distance) C4'-P energy: -151.521 bonds (distance) P-C4' energy: -166.140 flat angles C4'-P-C4' energy: -181.369 flat angles P-C4'-P energy: -138.053 tors. eta vs tors. theta energy: -232.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2891.287682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.287682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.287682 (E_RNA) where: Base-Base interactions energy: -2042.390 where: short stacking energy: -877.951 Base-Backbone interact. energy: -5.170 local terms energy: -843.727725 where: bonds (distance) C4'-P energy: -139.000 bonds (distance) P-C4' energy: -163.083 flat angles C4'-P-C4' energy: -177.489 flat angles P-C4'-P energy: -114.572 tors. eta vs tors. theta energy: -249.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2701.696751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.696751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.696751 (E_RNA) where: Base-Base interactions energy: -1884.510 where: short stacking energy: -814.541 Base-Backbone interact. energy: -1.734 local terms energy: -815.452858 where: bonds (distance) C4'-P energy: -159.571 bonds (distance) P-C4' energy: -165.225 flat angles C4'-P-C4' energy: -179.622 flat angles P-C4'-P energy: -99.752 tors. eta vs tors. theta energy: -211.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2585.650481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.650481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.650481 (E_RNA) where: Base-Base interactions energy: -1786.397 where: short stacking energy: -795.910 Base-Backbone interact. energy: 0.331 local terms energy: -799.584337 where: bonds (distance) C4'-P energy: -153.375 bonds (distance) P-C4' energy: -158.647 flat angles C4'-P-C4' energy: -172.682 flat angles P-C4'-P energy: -111.857 tors. eta vs tors. theta energy: -203.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2459.160483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.160483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.160483 (E_RNA) where: Base-Base interactions energy: -1700.775 where: short stacking energy: -726.156 Base-Backbone interact. energy: 0.405 local terms energy: -758.790979 where: bonds (distance) C4'-P energy: -140.519 bonds (distance) P-C4' energy: -153.710 flat angles C4'-P-C4' energy: -164.377 flat angles P-C4'-P energy: -98.801 tors. eta vs tors. theta energy: -201.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2201.791028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.791028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.791028 (E_RNA) where: Base-Base interactions energy: -1480.371 where: short stacking energy: -652.628 Base-Backbone interact. energy: -3.782 local terms energy: -717.638661 where: bonds (distance) C4'-P energy: -145.902 bonds (distance) P-C4' energy: -156.296 flat angles C4'-P-C4' energy: -172.183 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: -171.635 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: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1873.143380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.143380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.143380 (E_RNA) where: Base-Base interactions energy: -1246.479 where: short stacking energy: -582.563 Base-Backbone interact. energy: -2.018 local terms energy: -624.646551 where: bonds (distance) C4'-P energy: -112.047 bonds (distance) P-C4' energy: -132.330 flat angles C4'-P-C4' energy: -165.449 flat angles P-C4'-P energy: -90.900 tors. eta vs tors. theta energy: -123.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1482.547477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.547477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.547477 (E_RNA) where: Base-Base interactions energy: -945.517 where: short stacking energy: -418.240 Base-Backbone interact. energy: -3.837 local terms energy: -533.194190 where: bonds (distance) C4'-P energy: -144.545 bonds (distance) P-C4' energy: -156.539 flat angles C4'-P-C4' energy: -119.084 flat angles P-C4'-P energy: -71.100 tors. eta vs tors. theta energy: -41.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1433.414300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.414300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.414300 (E_RNA) where: Base-Base interactions energy: -928.521 where: short stacking energy: -448.058 Base-Backbone interact. energy: 5.885 local terms energy: -510.777513 where: bonds (distance) C4'-P energy: -102.018 bonds (distance) P-C4' energy: -137.277 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -82.254 tors. eta vs tors. theta energy: -57.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -983.733996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.733996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.733996 (E_RNA) where: Base-Base interactions energy: -534.686 where: short stacking energy: -312.338 Base-Backbone interact. energy: -1.332 local terms energy: -447.716131 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -134.374 flat angles C4'-P-C4' energy: -121.448 flat angles P-C4'-P energy: -66.631 tors. eta vs tors. theta energy: -10.655 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: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2978.991110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.991110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.991110 (E_RNA) where: Base-Base interactions energy: -2100.242 where: short stacking energy: -858.992 Base-Backbone interact. energy: -5.337 local terms energy: -873.412069 where: bonds (distance) C4'-P energy: -154.863 bonds (distance) P-C4' energy: -173.587 flat angles C4'-P-C4' energy: -181.133 flat angles P-C4'-P energy: -125.898 tors. eta vs tors. theta energy: -237.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2890.266033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.266033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.266033 (E_RNA) where: Base-Base interactions energy: -1999.018 where: short stacking energy: -858.795 Base-Backbone interact. energy: -2.541 local terms energy: -888.706808 where: bonds (distance) C4'-P energy: -160.210 bonds (distance) P-C4' energy: -159.623 flat angles C4'-P-C4' energy: -197.172 flat angles P-C4'-P energy: -134.471 tors. eta vs tors. theta energy: -237.231 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: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2722.347545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.347545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.347545 (E_RNA) where: Base-Base interactions energy: -1874.954 where: short stacking energy: -788.093 Base-Backbone interact. energy: -5.154 local terms energy: -842.238866 where: bonds (distance) C4'-P energy: -174.222 bonds (distance) P-C4' energy: -154.254 flat angles C4'-P-C4' energy: -176.203 flat angles P-C4'-P energy: -127.575 tors. eta vs tors. theta energy: -209.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2535.903117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.903117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.903117 (E_RNA) where: Base-Base interactions energy: -1739.928 where: short stacking energy: -766.082 Base-Backbone interact. energy: -0.621 local terms energy: -795.353643 where: bonds (distance) C4'-P energy: -169.926 bonds (distance) P-C4' energy: -144.807 flat angles C4'-P-C4' energy: -171.396 flat angles P-C4'-P energy: -118.910 tors. eta vs tors. theta energy: -190.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2461.343159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.343159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.343159 (E_RNA) where: Base-Base interactions energy: -1728.047 where: short stacking energy: -725.097 Base-Backbone interact. energy: -0.322 local terms energy: -732.974612 where: bonds (distance) C4'-P energy: -125.752 bonds (distance) P-C4' energy: -150.105 flat angles C4'-P-C4' energy: -162.513 flat angles P-C4'-P energy: -102.018 tors. eta vs tors. theta energy: -192.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2220.947986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.947986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.947986 (E_RNA) where: Base-Base interactions energy: -1520.538 where: short stacking energy: -667.212 Base-Backbone interact. energy: -4.444 local terms energy: -695.966195 where: bonds (distance) C4'-P energy: -137.331 bonds (distance) P-C4' energy: -146.198 flat angles C4'-P-C4' energy: -150.089 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -175.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1825.124369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.124369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.124369 (E_RNA) where: Base-Base interactions energy: -1228.719 where: short stacking energy: -581.163 Base-Backbone interact. energy: 8.234 local terms energy: -604.639773 where: bonds (distance) C4'-P energy: -124.078 bonds (distance) P-C4' energy: -116.346 flat angles C4'-P-C4' energy: -149.633 flat angles P-C4'-P energy: -82.563 tors. eta vs tors. theta energy: -132.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1513.357142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.357142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.357142 (E_RNA) where: Base-Base interactions energy: -951.843 where: short stacking energy: -448.775 Base-Backbone interact. energy: -3.051 local terms energy: -558.463729 where: bonds (distance) C4'-P energy: -119.128 bonds (distance) P-C4' energy: -151.730 flat angles C4'-P-C4' energy: -125.691 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -66.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1414.962558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.962558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.962558 (E_RNA) where: Base-Base interactions energy: -895.703 where: short stacking energy: -376.742 Base-Backbone interact. energy: 3.036 local terms energy: -522.295188 where: bonds (distance) C4'-P energy: -132.132 bonds (distance) P-C4' energy: -132.432 flat angles C4'-P-C4' energy: -111.186 flat angles P-C4'-P energy: -90.842 tors. eta vs tors. theta energy: -55.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -956.252983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.252983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.252983 (E_RNA) where: Base-Base interactions energy: -470.405 where: short stacking energy: -254.313 Base-Backbone interact. energy: 0.773 local terms energy: -486.620943 where: bonds (distance) C4'-P energy: -125.514 bonds (distance) P-C4' energy: -146.304 flat angles C4'-P-C4' energy: -142.289 flat angles P-C4'-P energy: -59.194 tors. eta vs tors. theta energy: -13.320 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: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2998.851428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.851428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.851428 (E_RNA) where: Base-Base interactions energy: -2104.311 where: short stacking energy: -882.804 Base-Backbone interact. energy: -1.653 local terms energy: -892.887684 where: bonds (distance) C4'-P energy: -170.028 bonds (distance) P-C4' energy: -171.602 flat angles C4'-P-C4' energy: -179.991 flat angles P-C4'-P energy: -133.554 tors. eta vs tors. theta energy: -237.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2841.073391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.073391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.073391 (E_RNA) where: Base-Base interactions energy: -1957.631 where: short stacking energy: -852.102 Base-Backbone interact. energy: -2.267 local terms energy: -881.176112 where: bonds (distance) C4'-P energy: -161.961 bonds (distance) P-C4' energy: -170.678 flat angles C4'-P-C4' energy: -200.788 flat angles P-C4'-P energy: -113.767 tors. eta vs tors. theta energy: -233.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2715.694620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.694620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.694620 (E_RNA) where: Base-Base interactions energy: -1869.790 where: short stacking energy: -802.844 Base-Backbone interact. energy: -1.543 local terms energy: -844.362407 where: bonds (distance) C4'-P energy: -162.211 bonds (distance) P-C4' energy: -153.581 flat angles C4'-P-C4' energy: -183.571 flat angles P-C4'-P energy: -128.745 tors. eta vs tors. theta energy: -216.254 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: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2563.383240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.383240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.383240 (E_RNA) where: Base-Base interactions energy: -1746.863 where: short stacking energy: -782.081 Base-Backbone interact. energy: -0.081 local terms energy: -816.439370 where: bonds (distance) C4'-P energy: -145.931 bonds (distance) P-C4' energy: -159.483 flat angles C4'-P-C4' energy: -173.790 flat angles P-C4'-P energy: -126.056 tors. eta vs tors. theta energy: -211.180 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: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2448.570662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.570662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.570662 (E_RNA) where: Base-Base interactions energy: -1659.748 where: short stacking energy: -700.294 Base-Backbone interact. energy: -2.835 local terms energy: -785.988045 where: bonds (distance) C4'-P energy: -148.707 bonds (distance) P-C4' energy: -144.109 flat angles C4'-P-C4' energy: -172.557 flat angles P-C4'-P energy: -124.157 tors. eta vs tors. theta energy: -196.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2223.907374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.907374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.907374 (E_RNA) where: Base-Base interactions energy: -1495.974 where: short stacking energy: -666.129 Base-Backbone interact. energy: -2.156 local terms energy: -725.777879 where: bonds (distance) C4'-P energy: -138.173 bonds (distance) P-C4' energy: -143.922 flat angles C4'-P-C4' energy: -172.465 flat angles P-C4'-P energy: -92.736 tors. eta vs tors. theta energy: -178.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1867.957604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.957604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.957604 (E_RNA) where: Base-Base interactions energy: -1190.678 where: short stacking energy: -556.356 Base-Backbone interact. energy: -2.466 local terms energy: -674.814340 where: bonds (distance) C4'-P energy: -148.988 bonds (distance) P-C4' energy: -158.214 flat angles C4'-P-C4' energy: -144.202 flat angles P-C4'-P energy: -81.800 tors. eta vs tors. theta energy: -141.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1534.167884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.167884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.167884 (E_RNA) where: Base-Base interactions energy: -943.363 where: short stacking energy: -432.630 Base-Backbone interact. energy: -3.515 local terms energy: -587.290332 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -163.259 flat angles C4'-P-C4' energy: -150.664 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -59.472 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: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1390.619580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.619580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.619580 (E_RNA) where: Base-Base interactions energy: -864.053 where: short stacking energy: -393.944 Base-Backbone interact. energy: 1.670 local terms energy: -528.236418 where: bonds (distance) C4'-P energy: -122.193 bonds (distance) P-C4' energy: -145.393 flat angles C4'-P-C4' energy: -149.005 flat angles P-C4'-P energy: -53.255 tors. eta vs tors. theta energy: -58.390 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: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -980.765817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.765817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.765817 (E_RNA) where: Base-Base interactions energy: -522.581 where: short stacking energy: -280.951 Base-Backbone interact. energy: 5.154 local terms energy: -463.338746 where: bonds (distance) C4'-P energy: -126.243 bonds (distance) P-C4' energy: -142.964 flat angles C4'-P-C4' energy: -106.038 flat angles P-C4'-P energy: -74.481 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3010.646155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.646155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.646155 (E_RNA) where: Base-Base interactions energy: -2078.829 where: short stacking energy: -891.869 Base-Backbone interact. energy: -3.153 local terms energy: -928.663447 where: bonds (distance) C4'-P energy: -166.491 bonds (distance) P-C4' energy: -174.214 flat angles C4'-P-C4' energy: -202.485 flat angles P-C4'-P energy: -134.489 tors. eta vs tors. theta energy: -250.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2827.217309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.217309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.217309 (E_RNA) where: Base-Base interactions energy: -1969.071 where: short stacking energy: -864.935 Base-Backbone interact. energy: 0.456 local terms energy: -858.601828 where: bonds (distance) C4'-P energy: -163.355 bonds (distance) P-C4' energy: -170.115 flat angles C4'-P-C4' energy: -170.483 flat angles P-C4'-P energy: -113.389 tors. eta vs tors. theta energy: -241.260 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: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2736.619552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.619552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.619552 (E_RNA) where: Base-Base interactions energy: -1900.810 where: short stacking energy: -807.545 Base-Backbone interact. energy: -1.189 local terms energy: -834.620652 where: bonds (distance) C4'-P energy: -154.690 bonds (distance) P-C4' energy: -156.625 flat angles C4'-P-C4' energy: -178.782 flat angles P-C4'-P energy: -130.988 tors. eta vs tors. theta energy: -213.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2619.073483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.073483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.073483 (E_RNA) where: Base-Base interactions energy: -1801.868 where: short stacking energy: -796.902 Base-Backbone interact. energy: -4.060 local terms energy: -813.145492 where: bonds (distance) C4'-P energy: -150.598 bonds (distance) P-C4' energy: -155.901 flat angles C4'-P-C4' energy: -173.767 flat angles P-C4'-P energy: -121.898 tors. eta vs tors. theta energy: -210.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2469.558699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.558699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.558699 (E_RNA) where: Base-Base interactions energy: -1671.881 where: short stacking energy: -735.156 Base-Backbone interact. energy: -1.789 local terms energy: -795.888732 where: bonds (distance) C4'-P energy: -141.961 bonds (distance) P-C4' energy: -164.905 flat angles C4'-P-C4' energy: -188.840 flat angles P-C4'-P energy: -108.765 tors. eta vs tors. theta energy: -191.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2240.916784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.916784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.916784 (E_RNA) where: Base-Base interactions energy: -1521.133 where: short stacking energy: -672.882 Base-Backbone interact. energy: -2.097 local terms energy: -717.686898 where: bonds (distance) C4'-P energy: -132.863 bonds (distance) P-C4' energy: -143.386 flat angles C4'-P-C4' energy: -170.693 flat angles P-C4'-P energy: -90.697 tors. eta vs tors. theta energy: -180.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1905.918648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.918648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.918648 (E_RNA) where: Base-Base interactions energy: -1211.509 where: short stacking energy: -550.654 Base-Backbone interact. energy: 2.830 local terms energy: -697.239121 where: bonds (distance) C4'-P energy: -145.164 bonds (distance) P-C4' energy: -169.500 flat angles C4'-P-C4' energy: -149.784 flat angles P-C4'-P energy: -104.860 tors. eta vs tors. theta energy: -127.931 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: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1517.310944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.310944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.310944 (E_RNA) where: Base-Base interactions energy: -943.359 where: short stacking energy: -434.837 Base-Backbone interact. energy: -4.637 local terms energy: -569.314861 where: bonds (distance) C4'-P energy: -146.425 bonds (distance) P-C4' energy: -137.999 flat angles C4'-P-C4' energy: -137.571 flat angles P-C4'-P energy: -74.277 tors. eta vs tors. theta energy: -73.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1478.515732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.515732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.515732 (E_RNA) where: Base-Base interactions energy: -944.542 where: short stacking energy: -412.164 Base-Backbone interact. energy: 8.244 local terms energy: -542.217136 where: bonds (distance) C4'-P energy: -128.836 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -133.773 flat angles P-C4'-P energy: -75.896 tors. eta vs tors. theta energy: -66.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1043.993674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.993674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.993674 (E_RNA) where: Base-Base interactions energy: -596.591 where: short stacking energy: -313.171 Base-Backbone interact. energy: 5.840 local terms energy: -453.242594 where: bonds (distance) C4'-P energy: -129.779 bonds (distance) P-C4' energy: -125.393 flat angles C4'-P-C4' energy: -124.525 flat angles P-C4'-P energy: -72.511 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3003.818450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.818450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.818450 (E_RNA) where: Base-Base interactions energy: -2092.965 where: short stacking energy: -890.453 Base-Backbone interact. energy: -5.036 local terms energy: -905.817451 where: bonds (distance) C4'-P energy: -177.792 bonds (distance) P-C4' energy: -170.782 flat angles C4'-P-C4' energy: -189.438 flat angles P-C4'-P energy: -124.626 tors. eta vs tors. theta energy: -243.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2845.506822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.506822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.506822 (E_RNA) where: Base-Base interactions energy: -1960.086 where: short stacking energy: -834.150 Base-Backbone interact. energy: -4.713 local terms energy: -880.707481 where: bonds (distance) C4'-P energy: -177.896 bonds (distance) P-C4' energy: -168.982 flat angles C4'-P-C4' energy: -174.490 flat angles P-C4'-P energy: -120.274 tors. eta vs tors. theta energy: -239.065 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: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2773.669351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.669351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.669351 (E_RNA) where: Base-Base interactions energy: -1942.605 where: short stacking energy: -815.360 Base-Backbone interact. energy: -1.308 local terms energy: -829.757097 where: bonds (distance) C4'-P energy: -157.741 bonds (distance) P-C4' energy: -155.249 flat angles C4'-P-C4' energy: -173.491 flat angles P-C4'-P energy: -126.295 tors. eta vs tors. theta energy: -216.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2550.309924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.309924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.309924 (E_RNA) where: Base-Base interactions energy: -1743.745 where: short stacking energy: -755.653 Base-Backbone interact. energy: -3.442 local terms energy: -803.123115 where: bonds (distance) C4'-P energy: -153.625 bonds (distance) P-C4' energy: -166.465 flat angles C4'-P-C4' energy: -171.480 flat angles P-C4'-P energy: -111.270 tors. eta vs tors. theta energy: -200.283 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: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2418.259840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.259840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.259840 (E_RNA) where: Base-Base interactions energy: -1664.280 where: short stacking energy: -708.782 Base-Backbone interact. energy: 0.535 local terms energy: -754.514666 where: bonds (distance) C4'-P energy: -158.794 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -165.925 flat angles P-C4'-P energy: -110.943 tors. eta vs tors. theta energy: -186.468 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: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2187.859917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.859917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.859917 (E_RNA) where: Base-Base interactions energy: -1454.837 where: short stacking energy: -653.371 Base-Backbone interact. energy: 4.774 local terms energy: -737.797728 where: bonds (distance) C4'-P energy: -144.928 bonds (distance) P-C4' energy: -161.931 flat angles C4'-P-C4' energy: -169.039 flat angles P-C4'-P energy: -98.159 tors. eta vs tors. theta energy: -163.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1924.158799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.158799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.158799 (E_RNA) where: Base-Base interactions energy: -1259.944 where: short stacking energy: -560.913 Base-Backbone interact. energy: 3.129 local terms energy: -667.342905 where: bonds (distance) C4'-P energy: -155.637 bonds (distance) P-C4' energy: -133.997 flat angles C4'-P-C4' energy: -141.938 flat angles P-C4'-P energy: -103.155 tors. eta vs tors. theta energy: -132.615 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: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1519.357528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.357528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.357528 (E_RNA) where: Base-Base interactions energy: -930.829 where: short stacking energy: -439.260 Base-Backbone interact. energy: -2.613 local terms energy: -585.916339 where: bonds (distance) C4'-P energy: -150.500 bonds (distance) P-C4' energy: -156.686 flat angles C4'-P-C4' energy: -131.178 flat angles P-C4'-P energy: -85.620 tors. eta vs tors. theta energy: -61.932 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: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1473.398764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.398764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.398764 (E_RNA) where: Base-Base interactions energy: -933.077 where: short stacking energy: -426.861 Base-Backbone interact. energy: 7.225 local terms energy: -547.546706 where: bonds (distance) C4'-P energy: -134.706 bonds (distance) P-C4' energy: -138.747 flat angles C4'-P-C4' energy: -125.191 flat angles P-C4'-P energy: -74.243 tors. eta vs tors. theta energy: -74.659 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: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1089.068251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.068251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.068251 (E_RNA) where: Base-Base interactions energy: -591.186 where: short stacking energy: -298.798 Base-Backbone interact. energy: 12.390 local terms energy: -510.272343 where: bonds (distance) C4'-P energy: -142.493 bonds (distance) P-C4' energy: -138.955 flat angles C4'-P-C4' energy: -121.682 flat angles P-C4'-P energy: -69.649 tors. eta vs tors. theta energy: -37.494 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: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2995.475596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.475596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.475596 (E_RNA) where: Base-Base interactions energy: -2101.292 where: short stacking energy: -884.327 Base-Backbone interact. energy: -0.823 local terms energy: -893.360977 where: bonds (distance) C4'-P energy: -163.213 bonds (distance) P-C4' energy: -175.252 flat angles C4'-P-C4' energy: -193.474 flat angles P-C4'-P energy: -127.644 tors. eta vs tors. theta energy: -233.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2858.437034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.437034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.437034 (E_RNA) where: Base-Base interactions energy: -1970.602 where: short stacking energy: -819.585 Base-Backbone interact. energy: -2.763 local terms energy: -885.071929 where: bonds (distance) C4'-P energy: -165.106 bonds (distance) P-C4' energy: -167.009 flat angles C4'-P-C4' energy: -191.381 flat angles P-C4'-P energy: -124.459 tors. eta vs tors. theta energy: -237.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2726.670910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.670910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.670910 (E_RNA) where: Base-Base interactions energy: -1865.966 where: short stacking energy: -804.516 Base-Backbone interact. energy: -5.781 local terms energy: -854.923669 where: bonds (distance) C4'-P energy: -169.253 bonds (distance) P-C4' energy: -177.072 flat angles C4'-P-C4' energy: -177.654 flat angles P-C4'-P energy: -102.777 tors. eta vs tors. theta energy: -228.168 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: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2572.388356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.388356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.388356 (E_RNA) where: Base-Base interactions energy: -1792.685 where: short stacking energy: -791.310 Base-Backbone interact. energy: -1.242 local terms energy: -778.462026 where: bonds (distance) C4'-P energy: -160.040 bonds (distance) P-C4' energy: -149.788 flat angles C4'-P-C4' energy: -170.728 flat angles P-C4'-P energy: -97.490 tors. eta vs tors. theta energy: -200.416 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: 217 Temperature: 1.100000 Total energy: -2448.627270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.627270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.627270 (E_RNA) where: Base-Base interactions energy: -1666.734 where: short stacking energy: -710.227 Base-Backbone interact. energy: -1.460 local terms energy: -780.433279 where: bonds (distance) C4'-P energy: -137.859 bonds (distance) P-C4' energy: -147.772 flat angles C4'-P-C4' energy: -178.750 flat angles P-C4'-P energy: -117.266 tors. eta vs tors. theta energy: -198.786 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: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2241.443962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.443962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.443962 (E_RNA) where: Base-Base interactions energy: -1491.081 where: short stacking energy: -667.253 Base-Backbone interact. energy: -3.596 local terms energy: -746.766884 where: bonds (distance) C4'-P energy: -154.120 bonds (distance) P-C4' energy: -158.126 flat angles C4'-P-C4' energy: -165.467 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -169.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1946.377968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.377968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.377968 (E_RNA) where: Base-Base interactions energy: -1273.426 where: short stacking energy: -594.175 Base-Backbone interact. energy: -1.851 local terms energy: -671.101280 where: bonds (distance) C4'-P energy: -134.381 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -161.239 flat angles P-C4'-P energy: -103.283 tors. eta vs tors. theta energy: -144.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1631.446915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.446915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.446915 (E_RNA) where: Base-Base interactions energy: -1013.867 where: short stacking energy: -484.637 Base-Backbone interact. energy: -3.416 local terms energy: -614.163626 where: bonds (distance) C4'-P energy: -139.524 bonds (distance) P-C4' energy: -130.496 flat angles C4'-P-C4' energy: -158.513 flat angles P-C4'-P energy: -77.777 tors. eta vs tors. theta energy: -107.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1370.871084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.871084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.871084 (E_RNA) where: Base-Base interactions energy: -842.208 where: short stacking energy: -351.257 Base-Backbone interact. energy: -1.001 local terms energy: -527.662233 where: bonds (distance) C4'-P energy: -122.505 bonds (distance) P-C4' energy: -139.863 flat angles C4'-P-C4' energy: -138.551 flat angles P-C4'-P energy: -80.272 tors. eta vs tors. theta energy: -46.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1099.461434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.461434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.461434 (E_RNA) where: Base-Base interactions energy: -623.406 where: short stacking energy: -302.994 Base-Backbone interact. energy: -0.180 local terms energy: -475.875777 where: bonds (distance) C4'-P energy: -129.616 bonds (distance) P-C4' energy: -133.061 flat angles C4'-P-C4' energy: -109.849 flat angles P-C4'-P energy: -86.544 tors. eta vs tors. theta energy: -16.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2955.516997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.516997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.516997 (E_RNA) where: Base-Base interactions energy: -2089.785 where: short stacking energy: -883.311 Base-Backbone interact. energy: -0.680 local terms energy: -865.051797 where: bonds (distance) C4'-P energy: -151.473 bonds (distance) P-C4' energy: -159.734 flat angles C4'-P-C4' energy: -187.617 flat angles P-C4'-P energy: -121.825 tors. eta vs tors. theta energy: -244.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2861.097378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.097378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.097378 (E_RNA) where: Base-Base interactions energy: -1957.301 where: short stacking energy: -876.685 Base-Backbone interact. energy: -0.470 local terms energy: -903.326381 where: bonds (distance) C4'-P energy: -172.493 bonds (distance) P-C4' energy: -167.151 flat angles C4'-P-C4' energy: -198.390 flat angles P-C4'-P energy: -116.221 tors. eta vs tors. theta energy: -249.072 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: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2733.299858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.299858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.299858 (E_RNA) where: Base-Base interactions energy: -1894.410 where: short stacking energy: -813.144 Base-Backbone interact. energy: -4.435 local terms energy: -834.454921 where: bonds (distance) C4'-P energy: -160.891 bonds (distance) P-C4' energy: -155.859 flat angles C4'-P-C4' energy: -172.055 flat angles P-C4'-P energy: -135.287 tors. eta vs tors. theta energy: -210.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2604.505967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.505967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.505967 (E_RNA) where: Base-Base interactions energy: -1782.445 where: short stacking energy: -781.536 Base-Backbone interact. energy: 3.839 local terms energy: -825.900240 where: bonds (distance) C4'-P energy: -160.755 bonds (distance) P-C4' energy: -154.950 flat angles C4'-P-C4' energy: -185.789 flat angles P-C4'-P energy: -113.807 tors. eta vs tors. theta energy: -210.598 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: 218 Temperature: 1.100000 Total energy: -2511.763165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.763165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.763165 (E_RNA) where: Base-Base interactions energy: -1745.846 where: short stacking energy: -745.776 Base-Backbone interact. energy: -2.193 local terms energy: -763.723979 where: bonds (distance) C4'-P energy: -152.913 bonds (distance) P-C4' energy: -148.074 flat angles C4'-P-C4' energy: -172.058 flat angles P-C4'-P energy: -103.772 tors. eta vs tors. theta energy: -186.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2276.741519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.741519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.741519 (E_RNA) where: Base-Base interactions energy: -1538.735 where: short stacking energy: -692.803 Base-Backbone interact. energy: -1.701 local terms energy: -736.305604 where: bonds (distance) C4'-P energy: -130.751 bonds (distance) P-C4' energy: -140.745 flat angles C4'-P-C4' energy: -166.362 flat angles P-C4'-P energy: -102.399 tors. eta vs tors. theta energy: -196.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1985.211397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.211397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.211397 (E_RNA) where: Base-Base interactions energy: -1292.599 where: short stacking energy: -593.372 Base-Backbone interact. energy: -1.155 local terms energy: -691.457565 where: bonds (distance) C4'-P energy: -143.791 bonds (distance) P-C4' energy: -133.717 flat angles C4'-P-C4' energy: -168.779 flat angles P-C4'-P energy: -102.088 tors. eta vs tors. theta energy: -143.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1676.439139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.439139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.439139 (E_RNA) where: Base-Base interactions energy: -1071.195 where: short stacking energy: -512.213 Base-Backbone interact. energy: 0.739 local terms energy: -605.982436 where: bonds (distance) C4'-P energy: -129.677 bonds (distance) P-C4' energy: -150.516 flat angles C4'-P-C4' energy: -128.420 flat angles P-C4'-P energy: -95.260 tors. eta vs tors. theta energy: -102.109 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: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1419.995261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.995261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.995261 (E_RNA) where: Base-Base interactions energy: -865.454 where: short stacking energy: -400.595 Base-Backbone interact. energy: 3.552 local terms energy: -558.093135 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -132.052 flat angles P-C4'-P energy: -78.062 tors. eta vs tors. theta energy: -71.954 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: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -995.409693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.409693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.409693 (E_RNA) where: Base-Base interactions energy: -561.125 where: short stacking energy: -292.872 Base-Backbone interact. energy: 6.378 local terms energy: -440.663042 where: bonds (distance) C4'-P energy: -140.883 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -93.876 flat angles P-C4'-P energy: -70.324 tors. eta vs tors. theta energy: 0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2979.228138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.228138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.228138 (E_RNA) where: Base-Base interactions energy: -2073.340 where: short stacking energy: -865.067 Base-Backbone interact. energy: -6.978 local terms energy: -898.909430 where: bonds (distance) C4'-P energy: -177.477 bonds (distance) P-C4' energy: -156.688 flat angles C4'-P-C4' energy: -199.442 flat angles P-C4'-P energy: -117.102 tors. eta vs tors. theta energy: -248.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2888.312779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.312779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.312779 (E_RNA) where: Base-Base interactions energy: -2014.687 where: short stacking energy: -877.011 Base-Backbone interact. energy: 2.910 local terms energy: -876.535739 where: bonds (distance) C4'-P energy: -162.838 bonds (distance) P-C4' energy: -171.062 flat angles C4'-P-C4' energy: -176.146 flat angles P-C4'-P energy: -119.830 tors. eta vs tors. theta energy: -246.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2729.698220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.698220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.698220 (E_RNA) where: Base-Base interactions energy: -1899.664 where: short stacking energy: -791.018 Base-Backbone interact. energy: -4.362 local terms energy: -825.672040 where: bonds (distance) C4'-P energy: -154.121 bonds (distance) P-C4' energy: -160.981 flat angles C4'-P-C4' energy: -186.325 flat angles P-C4'-P energy: -112.874 tors. eta vs tors. theta energy: -211.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2547.065287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.065287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.065287 (E_RNA) where: Base-Base interactions energy: -1766.151 where: short stacking energy: -777.210 Base-Backbone interact. energy: -0.547 local terms energy: -780.367112 where: bonds (distance) C4'-P energy: -146.532 bonds (distance) P-C4' energy: -156.114 flat angles C4'-P-C4' energy: -170.429 flat angles P-C4'-P energy: -105.114 tors. eta vs tors. theta energy: -202.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2477.798984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.798984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.798984 (E_RNA) where: Base-Base interactions energy: -1706.668 where: short stacking energy: -738.259 Base-Backbone interact. energy: 0.059 local terms energy: -771.189523 where: bonds (distance) C4'-P energy: -156.172 bonds (distance) P-C4' energy: -152.706 flat angles C4'-P-C4' energy: -168.066 flat angles P-C4'-P energy: -116.174 tors. eta vs tors. theta energy: -178.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2244.429969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.429969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.429969 (E_RNA) where: Base-Base interactions energy: -1496.823 where: short stacking energy: -657.074 Base-Backbone interact. energy: 2.282 local terms energy: -749.889303 where: bonds (distance) C4'-P energy: -155.106 bonds (distance) P-C4' energy: -152.440 flat angles C4'-P-C4' energy: -159.598 flat angles P-C4'-P energy: -110.265 tors. eta vs tors. theta energy: -172.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1915.929100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.929100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.929100 (E_RNA) where: Base-Base interactions energy: -1259.867 where: short stacking energy: -597.812 Base-Backbone interact. energy: 3.683 local terms energy: -659.745170 where: bonds (distance) C4'-P energy: -152.539 bonds (distance) P-C4' energy: -157.450 flat angles C4'-P-C4' energy: -136.136 flat angles P-C4'-P energy: -93.050 tors. eta vs tors. theta energy: -120.570 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: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1695.597930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.597930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.597930 (E_RNA) where: Base-Base interactions energy: -1061.601 where: short stacking energy: -509.937 Base-Backbone interact. energy: 4.971 local terms energy: -638.968461 where: bonds (distance) C4'-P energy: -134.400 bonds (distance) P-C4' energy: -159.790 flat angles C4'-P-C4' energy: -157.743 flat angles P-C4'-P energy: -84.954 tors. eta vs tors. theta energy: -102.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1379.481921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.481921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.481921 (E_RNA) where: Base-Base interactions energy: -855.521 where: short stacking energy: -407.171 Base-Backbone interact. energy: 3.527 local terms energy: -527.487594 where: bonds (distance) C4'-P energy: -130.840 bonds (distance) P-C4' energy: -161.411 flat angles C4'-P-C4' energy: -119.569 flat angles P-C4'-P energy: -63.184 tors. eta vs tors. theta energy: -52.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1023.830397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.830397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.830397 (E_RNA) where: Base-Base interactions energy: -548.884 where: short stacking energy: -308.692 Base-Backbone interact. energy: 8.654 local terms energy: -483.600112 where: bonds (distance) C4'-P energy: -122.905 bonds (distance) P-C4' energy: -139.101 flat angles C4'-P-C4' energy: -119.968 flat angles P-C4'-P energy: -76.930 tors. eta vs tors. theta energy: -24.696 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: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2982.371481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.371481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.371481 (E_RNA) where: Base-Base interactions energy: -2083.780 where: short stacking energy: -868.551 Base-Backbone interact. energy: -6.846 local terms energy: -891.745407 where: bonds (distance) C4'-P energy: -168.245 bonds (distance) P-C4' energy: -164.730 flat angles C4'-P-C4' energy: -185.145 flat angles P-C4'-P energy: -134.605 tors. eta vs tors. theta energy: -239.020 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: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2867.316061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.316061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.316061 (E_RNA) where: Base-Base interactions energy: -1984.157 where: short stacking energy: -877.837 Base-Backbone interact. energy: -3.809 local terms energy: -879.350784 where: bonds (distance) C4'-P energy: -162.659 bonds (distance) P-C4' energy: -164.020 flat angles C4'-P-C4' energy: -181.066 flat angles P-C4'-P energy: -118.252 tors. eta vs tors. theta energy: -253.355 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: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2699.950133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.950133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.950133 (E_RNA) where: Base-Base interactions energy: -1883.755 where: short stacking energy: -796.681 Base-Backbone interact. energy: -5.687 local terms energy: -810.508020 where: bonds (distance) C4'-P energy: -135.382 bonds (distance) P-C4' energy: -155.315 flat angles C4'-P-C4' energy: -186.547 flat angles P-C4'-P energy: -117.368 tors. eta vs tors. theta energy: -215.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2559.783297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.783297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.783297 (E_RNA) where: Base-Base interactions energy: -1761.767 where: short stacking energy: -761.218 Base-Backbone interact. energy: -3.406 local terms energy: -794.610151 where: bonds (distance) C4'-P energy: -154.269 bonds (distance) P-C4' energy: -153.707 flat angles C4'-P-C4' energy: -176.203 flat angles P-C4'-P energy: -115.668 tors. eta vs tors. theta energy: -194.763 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: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2462.669011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.669011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.669011 (E_RNA) where: Base-Base interactions energy: -1677.138 where: short stacking energy: -735.789 Base-Backbone interact. energy: 0.524 local terms energy: -786.055579 where: bonds (distance) C4'-P energy: -169.905 bonds (distance) P-C4' energy: -141.942 flat angles C4'-P-C4' energy: -172.462 flat angles P-C4'-P energy: -105.306 tors. eta vs tors. theta energy: -196.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2283.243944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.243944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.243944 (E_RNA) where: Base-Base interactions energy: -1553.748 where: short stacking energy: -686.836 Base-Backbone interact. energy: -4.727 local terms energy: -724.769308 where: bonds (distance) C4'-P energy: -137.712 bonds (distance) P-C4' energy: -146.329 flat angles C4'-P-C4' energy: -159.422 flat angles P-C4'-P energy: -110.331 tors. eta vs tors. theta energy: -170.975 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: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1961.416661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.416661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.416661 (E_RNA) where: Base-Base interactions energy: -1285.335 where: short stacking energy: -572.393 Base-Backbone interact. energy: -0.034 local terms energy: -676.047980 where: bonds (distance) C4'-P energy: -134.210 bonds (distance) P-C4' energy: -149.214 flat angles C4'-P-C4' energy: -154.457 flat angles P-C4'-P energy: -111.735 tors. eta vs tors. theta energy: -126.432 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: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1704.878473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.878473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.878473 (E_RNA) where: Base-Base interactions energy: -1089.414 where: short stacking energy: -512.346 Base-Backbone interact. energy: 0.897 local terms energy: -616.361113 where: bonds (distance) C4'-P energy: -147.445 bonds (distance) P-C4' energy: -144.258 flat angles C4'-P-C4' energy: -118.286 flat angles P-C4'-P energy: -100.074 tors. eta vs tors. theta energy: -106.298 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: 220 Temperature: 1.300000 Total energy: -1222.615622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.615622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.615622 (E_RNA) where: Base-Base interactions energy: -752.926 where: short stacking energy: -385.954 Base-Backbone interact. energy: 0.176 local terms energy: -469.865752 where: bonds (distance) C4'-P energy: -124.332 bonds (distance) P-C4' energy: -130.158 flat angles C4'-P-C4' energy: -115.549 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: -31.457 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: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1024.166160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.166160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.166160 (E_RNA) where: Base-Base interactions energy: -589.659 where: short stacking energy: -330.776 Base-Backbone interact. energy: -0.867 local terms energy: -433.640208 where: bonds (distance) C4'-P energy: -111.966 bonds (distance) P-C4' energy: -130.268 flat angles C4'-P-C4' energy: -119.736 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: -4.296 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: 221 Temperature: 0.900000 Total energy: -2980.931731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.931731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.931731 (E_RNA) where: Base-Base interactions energy: -2104.428 where: short stacking energy: -871.906 Base-Backbone interact. energy: -4.162 local terms energy: -872.342084 where: bonds (distance) C4'-P energy: -167.317 bonds (distance) P-C4' energy: -153.372 flat angles C4'-P-C4' energy: -183.411 flat angles P-C4'-P energy: -131.201 tors. eta vs tors. theta energy: -237.041 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: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2823.577600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.577600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.577600 (E_RNA) where: Base-Base interactions energy: -1959.104 where: short stacking energy: -878.995 Base-Backbone interact. energy: -2.646 local terms energy: -861.827770 where: bonds (distance) C4'-P energy: -163.597 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -191.642 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -231.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2694.952847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.952847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.952847 (E_RNA) where: Base-Base interactions energy: -1853.893 where: short stacking energy: -800.988 Base-Backbone interact. energy: 2.307 local terms energy: -843.366603 where: bonds (distance) C4'-P energy: -165.761 bonds (distance) P-C4' energy: -161.846 flat angles C4'-P-C4' energy: -183.626 flat angles P-C4'-P energy: -129.329 tors. eta vs tors. theta energy: -202.804 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: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2580.406268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.406268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.406268 (E_RNA) where: Base-Base interactions energy: -1768.553 where: short stacking energy: -775.539 Base-Backbone interact. energy: -1.205 local terms energy: -810.648450 where: bonds (distance) C4'-P energy: -151.789 bonds (distance) P-C4' energy: -146.393 flat angles C4'-P-C4' energy: -181.948 flat angles P-C4'-P energy: -124.582 tors. eta vs tors. theta energy: -205.936 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: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2504.730099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.730099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.730099 (E_RNA) where: Base-Base interactions energy: -1729.565 where: short stacking energy: -713.577 Base-Backbone interact. energy: -3.351 local terms energy: -771.814122 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -168.574 flat angles C4'-P-C4' energy: -170.799 flat angles P-C4'-P energy: -103.907 tors. eta vs tors. theta energy: -186.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2236.736869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.736869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.736869 (E_RNA) where: Base-Base interactions energy: -1528.683 where: short stacking energy: -668.027 Base-Backbone interact. energy: -1.356 local terms energy: -706.698191 where: bonds (distance) C4'-P energy: -146.074 bonds (distance) P-C4' energy: -142.285 flat angles C4'-P-C4' energy: -157.059 flat angles P-C4'-P energy: -88.389 tors. eta vs tors. theta energy: -172.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1964.092928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.092928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.092928 (E_RNA) where: Base-Base interactions energy: -1270.976 where: short stacking energy: -589.672 Base-Backbone interact. energy: -3.675 local terms energy: -689.441773 where: bonds (distance) C4'-P energy: -137.208 bonds (distance) P-C4' energy: -133.234 flat angles C4'-P-C4' energy: -160.146 flat angles P-C4'-P energy: -104.017 tors. eta vs tors. theta energy: -154.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1687.243539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.243539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.243539 (E_RNA) where: Base-Base interactions energy: -1089.108 where: short stacking energy: -494.721 Base-Backbone interact. energy: 0.868 local terms energy: -599.003580 where: bonds (distance) C4'-P energy: -125.896 bonds (distance) P-C4' energy: -144.712 flat angles C4'-P-C4' energy: -135.809 flat angles P-C4'-P energy: -96.008 tors. eta vs tors. theta energy: -96.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1157.869033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.869033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.869033 (E_RNA) where: Base-Base interactions energy: -656.357 where: short stacking energy: -317.074 Base-Backbone interact. energy: 5.382 local terms energy: -506.894612 where: bonds (distance) C4'-P energy: -122.848 bonds (distance) P-C4' energy: -153.003 flat angles C4'-P-C4' energy: -135.040 flat angles P-C4'-P energy: -76.356 tors. eta vs tors. theta energy: -19.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1034.346735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.346735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.346735 (E_RNA) where: Base-Base interactions energy: -581.578 where: short stacking energy: -305.555 Base-Backbone interact. energy: -1.861 local terms energy: -450.907882 where: bonds (distance) C4'-P energy: -123.836 bonds (distance) P-C4' energy: -141.377 flat angles C4'-P-C4' energy: -111.844 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2930.736588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.736588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.736588 (E_RNA) where: Base-Base interactions energy: -2038.636 where: short stacking energy: -868.920 Base-Backbone interact. energy: -5.768 local terms energy: -886.332865 where: bonds (distance) C4'-P energy: -150.178 bonds (distance) P-C4' energy: -178.038 flat angles C4'-P-C4' energy: -184.018 flat angles P-C4'-P energy: -139.015 tors. eta vs tors. theta energy: -235.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2841.103488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.103488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.103488 (E_RNA) where: Base-Base interactions energy: -1963.434 where: short stacking energy: -888.761 Base-Backbone interact. energy: -3.045 local terms energy: -874.624577 where: bonds (distance) C4'-P energy: -160.463 bonds (distance) P-C4' energy: -160.584 flat angles C4'-P-C4' energy: -183.281 flat angles P-C4'-P energy: -124.750 tors. eta vs tors. theta energy: -245.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2742.381353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.381353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.381353 (E_RNA) where: Base-Base interactions energy: -1904.005 where: short stacking energy: -814.544 Base-Backbone interact. energy: -1.893 local terms energy: -836.483113 where: bonds (distance) C4'-P energy: -152.186 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -191.522 flat angles P-C4'-P energy: -132.554 tors. eta vs tors. theta energy: -213.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2554.822291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.822291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.822291 (E_RNA) where: Base-Base interactions energy: -1743.178 where: short stacking energy: -784.039 Base-Backbone interact. energy: -5.838 local terms energy: -805.806645 where: bonds (distance) C4'-P energy: -146.835 bonds (distance) P-C4' energy: -171.142 flat angles C4'-P-C4' energy: -178.988 flat angles P-C4'-P energy: -108.780 tors. eta vs tors. theta energy: -200.062 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: 222 Temperature: 1.100000 Total energy: -2517.505625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.505625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.505625 (E_RNA) where: Base-Base interactions energy: -1736.638 where: short stacking energy: -741.226 Base-Backbone interact. energy: 0.642 local terms energy: -781.509690 where: bonds (distance) C4'-P energy: -160.316 bonds (distance) P-C4' energy: -144.548 flat angles C4'-P-C4' energy: -178.183 flat angles P-C4'-P energy: -103.146 tors. eta vs tors. theta energy: -195.317 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: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2216.895635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.895635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.895635 (E_RNA) where: Base-Base interactions energy: -1503.232 where: short stacking energy: -672.501 Base-Backbone interact. energy: 8.211 local terms energy: -721.874098 where: bonds (distance) C4'-P energy: -148.199 bonds (distance) P-C4' energy: -147.745 flat angles C4'-P-C4' energy: -160.820 flat angles P-C4'-P energy: -98.125 tors. eta vs tors. theta energy: -166.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1996.313007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.313007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.313007 (E_RNA) where: Base-Base interactions energy: -1319.916 where: short stacking energy: -612.094 Base-Backbone interact. energy: 0.730 local terms energy: -677.127510 where: bonds (distance) C4'-P energy: -143.605 bonds (distance) P-C4' energy: -132.259 flat angles C4'-P-C4' energy: -149.212 flat angles P-C4'-P energy: -101.238 tors. eta vs tors. theta energy: -150.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1719.682514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.682514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.682514 (E_RNA) where: Base-Base interactions energy: -1104.978 where: short stacking energy: -510.646 Base-Backbone interact. energy: -0.606 local terms energy: -614.098835 where: bonds (distance) C4'-P energy: -101.689 bonds (distance) P-C4' energy: -152.070 flat angles C4'-P-C4' energy: -154.862 flat angles P-C4'-P energy: -89.312 tors. eta vs tors. theta energy: -116.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1223.106808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.106808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.106808 (E_RNA) where: Base-Base interactions energy: -712.282 where: short stacking energy: -376.083 Base-Backbone interact. energy: -3.041 local terms energy: -507.783569 where: bonds (distance) C4'-P energy: -122.172 bonds (distance) P-C4' energy: -146.282 flat angles C4'-P-C4' energy: -129.926 flat angles P-C4'-P energy: -63.153 tors. eta vs tors. theta energy: -46.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -963.953781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.953781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.953781 (E_RNA) where: Base-Base interactions energy: -459.596 where: short stacking energy: -278.296 Base-Backbone interact. energy: 1.844 local terms energy: -506.202057 where: bonds (distance) C4'-P energy: -113.504 bonds (distance) P-C4' energy: -158.655 flat angles C4'-P-C4' energy: -133.159 flat angles P-C4'-P energy: -81.703 tors. eta vs tors. theta energy: -19.181 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: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2987.101542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.101542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.101542 (E_RNA) where: Base-Base interactions energy: -2101.473 where: short stacking energy: -873.211 Base-Backbone interact. energy: -5.837 local terms energy: -879.792268 where: bonds (distance) C4'-P energy: -176.528 bonds (distance) P-C4' energy: -164.436 flat angles C4'-P-C4' energy: -188.649 flat angles P-C4'-P energy: -127.627 tors. eta vs tors. theta energy: -222.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2818.630480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.630480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.630480 (E_RNA) where: Base-Base interactions energy: -1946.521 where: short stacking energy: -840.854 Base-Backbone interact. energy: -3.697 local terms energy: -868.412125 where: bonds (distance) C4'-P energy: -159.168 bonds (distance) P-C4' energy: -181.579 flat angles C4'-P-C4' energy: -180.765 flat angles P-C4'-P energy: -123.445 tors. eta vs tors. theta energy: -223.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2746.435451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.435451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.435451 (E_RNA) where: Base-Base interactions energy: -1909.239 where: short stacking energy: -801.212 Base-Backbone interact. energy: -5.317 local terms energy: -831.880106 where: bonds (distance) C4'-P energy: -146.255 bonds (distance) P-C4' energy: -164.160 flat angles C4'-P-C4' energy: -179.170 flat angles P-C4'-P energy: -125.944 tors. eta vs tors. theta energy: -216.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2574.478464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.478464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.478464 (E_RNA) where: Base-Base interactions energy: -1764.256 where: short stacking energy: -794.882 Base-Backbone interact. energy: -0.752 local terms energy: -809.470104 where: bonds (distance) C4'-P energy: -164.168 bonds (distance) P-C4' energy: -153.994 flat angles C4'-P-C4' energy: -161.011 flat angles P-C4'-P energy: -115.754 tors. eta vs tors. theta energy: -214.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2509.344987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.344987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.344987 (E_RNA) where: Base-Base interactions energy: -1760.328 where: short stacking energy: -757.273 Base-Backbone interact. energy: -2.136 local terms energy: -746.880330 where: bonds (distance) C4'-P energy: -129.153 bonds (distance) P-C4' energy: -154.050 flat angles C4'-P-C4' energy: -181.802 flat angles P-C4'-P energy: -88.153 tors. eta vs tors. theta energy: -193.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2231.867677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.867677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.867677 (E_RNA) where: Base-Base interactions energy: -1525.790 where: short stacking energy: -647.953 Base-Backbone interact. energy: -1.537 local terms energy: -704.540542 where: bonds (distance) C4'-P energy: -136.696 bonds (distance) P-C4' energy: -145.754 flat angles C4'-P-C4' energy: -162.499 flat angles P-C4'-P energy: -102.555 tors. eta vs tors. theta energy: -157.037 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: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1999.515017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.515017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.515017 (E_RNA) where: Base-Base interactions energy: -1344.829 where: short stacking energy: -614.101 Base-Backbone interact. energy: 1.355 local terms energy: -656.041399 where: bonds (distance) C4'-P energy: -122.430 bonds (distance) P-C4' energy: -145.475 flat angles C4'-P-C4' energy: -139.547 flat angles P-C4'-P energy: -107.143 tors. eta vs tors. theta energy: -141.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1801.657397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.657397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.657397 (E_RNA) where: Base-Base interactions energy: -1142.837 where: short stacking energy: -506.873 Base-Backbone interact. energy: -0.888 local terms energy: -657.932739 where: bonds (distance) C4'-P energy: -139.559 bonds (distance) P-C4' energy: -145.319 flat angles C4'-P-C4' energy: -144.925 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -129.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1261.436080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.436080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.436080 (E_RNA) where: Base-Base interactions energy: -736.730 where: short stacking energy: -378.083 Base-Backbone interact. energy: -0.106 local terms energy: -524.599605 where: bonds (distance) C4'-P energy: -139.725 bonds (distance) P-C4' energy: -144.210 flat angles C4'-P-C4' energy: -131.509 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -40.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -995.608894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.608894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.608894 (E_RNA) where: Base-Base interactions energy: -544.935 where: short stacking energy: -283.443 Base-Backbone interact. energy: 0.961 local terms energy: -451.635141 where: bonds (distance) C4'-P energy: -130.600 bonds (distance) P-C4' energy: -135.723 flat angles C4'-P-C4' energy: -115.317 flat angles P-C4'-P energy: -72.678 tors. eta vs tors. theta energy: 2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2982.896060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.896060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.896060 (E_RNA) where: Base-Base interactions energy: -2109.822 where: short stacking energy: -849.101 Base-Backbone interact. energy: -5.080 local terms energy: -867.993736 where: bonds (distance) C4'-P energy: -158.163 bonds (distance) P-C4' energy: -180.078 flat angles C4'-P-C4' energy: -184.915 flat angles P-C4'-P energy: -125.951 tors. eta vs tors. theta energy: -218.887 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: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2812.933597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.933597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.933597 (E_RNA) where: Base-Base interactions energy: -1927.544 where: short stacking energy: -862.979 Base-Backbone interact. energy: -3.846 local terms energy: -881.542930 where: bonds (distance) C4'-P energy: -154.015 bonds (distance) P-C4' energy: -164.961 flat angles C4'-P-C4' energy: -198.333 flat angles P-C4'-P energy: -121.636 tors. eta vs tors. theta energy: -242.597 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: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2778.050754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.050754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.050754 (E_RNA) where: Base-Base interactions energy: -1947.778 where: short stacking energy: -825.069 Base-Backbone interact. energy: -4.463 local terms energy: -825.809575 where: bonds (distance) C4'-P energy: -145.242 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -178.289 flat angles P-C4'-P energy: -128.515 tors. eta vs tors. theta energy: -220.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2545.914348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.914348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.914348 (E_RNA) where: Base-Base interactions energy: -1741.803 where: short stacking energy: -755.928 Base-Backbone interact. energy: -2.515 local terms energy: -801.596561 where: bonds (distance) C4'-P energy: -142.797 bonds (distance) P-C4' energy: -169.706 flat angles C4'-P-C4' energy: -169.132 flat angles P-C4'-P energy: -113.159 tors. eta vs tors. theta energy: -206.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2474.875083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.875083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.875083 (E_RNA) where: Base-Base interactions energy: -1720.208 where: short stacking energy: -735.465 Base-Backbone interact. energy: -3.308 local terms energy: -751.359156 where: bonds (distance) C4'-P energy: -139.587 bonds (distance) P-C4' energy: -173.845 flat angles C4'-P-C4' energy: -160.709 flat angles P-C4'-P energy: -96.288 tors. eta vs tors. theta energy: -180.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2249.381060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.381060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.381060 (E_RNA) where: Base-Base interactions energy: -1527.415 where: short stacking energy: -641.574 Base-Backbone interact. energy: -2.558 local terms energy: -719.407637 where: bonds (distance) C4'-P energy: -131.565 bonds (distance) P-C4' energy: -164.092 flat angles C4'-P-C4' energy: -173.149 flat angles P-C4'-P energy: -96.107 tors. eta vs tors. theta energy: -154.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1981.115552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.115552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.115552 (E_RNA) where: Base-Base interactions energy: -1323.817 where: short stacking energy: -581.717 Base-Backbone interact. energy: -0.367 local terms energy: -656.931736 where: bonds (distance) C4'-P energy: -134.785 bonds (distance) P-C4' energy: -140.712 flat angles C4'-P-C4' energy: -150.529 flat angles P-C4'-P energy: -92.847 tors. eta vs tors. theta energy: -138.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1738.525294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.525294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.525294 (E_RNA) where: Base-Base interactions energy: -1097.217 where: short stacking energy: -504.738 Base-Backbone interact. energy: 2.961 local terms energy: -644.269143 where: bonds (distance) C4'-P energy: -152.171 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -143.422 flat angles P-C4'-P energy: -78.934 tors. eta vs tors. theta energy: -110.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1203.245948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.245948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.245948 (E_RNA) where: Base-Base interactions energy: -697.992 where: short stacking energy: -360.375 Base-Backbone interact. energy: 6.726 local terms energy: -511.979763 where: bonds (distance) C4'-P energy: -112.990 bonds (distance) P-C4' energy: -137.221 flat angles C4'-P-C4' energy: -131.042 flat angles P-C4'-P energy: -81.062 tors. eta vs tors. theta energy: -49.664 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: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1023.937382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.937382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.937382 (E_RNA) where: Base-Base interactions energy: -595.235 where: short stacking energy: -316.080 Base-Backbone interact. energy: 0.506 local terms energy: -429.208598 where: bonds (distance) C4'-P energy: -120.448 bonds (distance) P-C4' energy: -145.616 flat angles C4'-P-C4' energy: -111.512 flat angles P-C4'-P energy: -48.316 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: 225 Temperature: 0.900000 Total energy: -2973.575743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.575743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.575743 (E_RNA) where: Base-Base interactions energy: -2068.042 where: short stacking energy: -895.300 Base-Backbone interact. energy: -4.819 local terms energy: -900.713957 where: bonds (distance) C4'-P energy: -160.422 bonds (distance) P-C4' energy: -182.398 flat angles C4'-P-C4' energy: -189.302 flat angles P-C4'-P energy: -128.707 tors. eta vs tors. theta energy: -239.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2807.530498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.530498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.530498 (E_RNA) where: Base-Base interactions energy: -1903.976 where: short stacking energy: -860.969 Base-Backbone interact. energy: -2.415 local terms energy: -901.139549 where: bonds (distance) C4'-P energy: -160.075 bonds (distance) P-C4' energy: -176.258 flat angles C4'-P-C4' energy: -189.393 flat angles P-C4'-P energy: -129.103 tors. eta vs tors. theta energy: -246.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2750.932751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.932751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.932751 (E_RNA) where: Base-Base interactions energy: -1923.194 where: short stacking energy: -811.776 Base-Backbone interact. energy: -1.858 local terms energy: -825.880443 where: bonds (distance) C4'-P energy: -149.002 bonds (distance) P-C4' energy: -154.820 flat angles C4'-P-C4' energy: -188.184 flat angles P-C4'-P energy: -118.286 tors. eta vs tors. theta energy: -215.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2622.326572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.326572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.326572 (E_RNA) where: Base-Base interactions energy: -1783.548 where: short stacking energy: -777.200 Base-Backbone interact. energy: -1.564 local terms energy: -837.215229 where: bonds (distance) C4'-P energy: -154.277 bonds (distance) P-C4' energy: -158.874 flat angles C4'-P-C4' energy: -187.486 flat angles P-C4'-P energy: -118.049 tors. eta vs tors. theta energy: -218.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2516.583378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.583378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.583378 (E_RNA) where: Base-Base interactions energy: -1759.704 where: short stacking energy: -755.515 Base-Backbone interact. energy: 1.357 local terms energy: -758.236409 where: bonds (distance) C4'-P energy: -154.623 bonds (distance) P-C4' energy: -149.687 flat angles C4'-P-C4' energy: -152.579 flat angles P-C4'-P energy: -98.218 tors. eta vs tors. theta energy: -203.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2260.878550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.878550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.878550 (E_RNA) where: Base-Base interactions energy: -1575.167 where: short stacking energy: -699.050 Base-Backbone interact. energy: -3.583 local terms energy: -682.128503 where: bonds (distance) C4'-P energy: -138.060 bonds (distance) P-C4' energy: -132.143 flat angles C4'-P-C4' energy: -138.226 flat angles P-C4'-P energy: -99.610 tors. eta vs tors. theta energy: -174.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2052.938626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.938626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.938626 (E_RNA) where: Base-Base interactions energy: -1372.902 where: short stacking energy: -599.530 Base-Backbone interact. energy: -2.455 local terms energy: -677.581497 where: bonds (distance) C4'-P energy: -156.254 bonds (distance) P-C4' energy: -135.433 flat angles C4'-P-C4' energy: -157.055 flat angles P-C4'-P energy: -88.921 tors. eta vs tors. theta energy: -139.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1643.800727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.800727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.800727 (E_RNA) where: Base-Base interactions energy: -1069.105 where: short stacking energy: -491.707 Base-Backbone interact. energy: -0.789 local terms energy: -573.906720 where: bonds (distance) C4'-P energy: -113.263 bonds (distance) P-C4' energy: -144.800 flat angles C4'-P-C4' energy: -134.220 flat angles P-C4'-P energy: -96.207 tors. eta vs tors. theta energy: -85.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1086.631246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.631246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.631246 (E_RNA) where: Base-Base interactions energy: -588.984 where: short stacking energy: -330.172 Base-Backbone interact. energy: -0.380 local terms energy: -497.267134 where: bonds (distance) C4'-P energy: -130.319 bonds (distance) P-C4' energy: -169.914 flat angles C4'-P-C4' energy: -102.277 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -28.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1095.272555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.272555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.272555 (E_RNA) where: Base-Base interactions energy: -643.687 where: short stacking energy: -328.029 Base-Backbone interact. energy: -1.736 local terms energy: -449.849856 where: bonds (distance) C4'-P energy: -127.766 bonds (distance) P-C4' energy: -130.139 flat angles C4'-P-C4' energy: -123.089 flat angles P-C4'-P energy: -60.373 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2996.431849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.431849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.431849 (E_RNA) where: Base-Base interactions energy: -2107.353 where: short stacking energy: -880.438 Base-Backbone interact. energy: -0.969 local terms energy: -888.110038 where: bonds (distance) C4'-P energy: -154.829 bonds (distance) P-C4' energy: -169.385 flat angles C4'-P-C4' energy: -187.350 flat angles P-C4'-P energy: -134.555 tors. eta vs tors. theta energy: -241.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2832.539942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.539942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.539942 (E_RNA) where: Base-Base interactions energy: -1959.021 where: short stacking energy: -874.416 Base-Backbone interact. energy: -0.599 local terms energy: -872.920081 where: bonds (distance) C4'-P energy: -149.825 bonds (distance) P-C4' energy: -175.237 flat angles C4'-P-C4' energy: -181.475 flat angles P-C4'-P energy: -115.827 tors. eta vs tors. theta energy: -250.556 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: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2765.761978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.761978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.761978 (E_RNA) where: Base-Base interactions energy: -1896.212 where: short stacking energy: -794.785 Base-Backbone interact. energy: -2.780 local terms energy: -866.770188 where: bonds (distance) C4'-P energy: -170.770 bonds (distance) P-C4' energy: -165.735 flat angles C4'-P-C4' energy: -184.268 flat angles P-C4'-P energy: -120.800 tors. eta vs tors. theta energy: -225.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2592.967203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.967203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.967203 (E_RNA) where: Base-Base interactions energy: -1782.652 where: short stacking energy: -766.532 Base-Backbone interact. energy: -3.068 local terms energy: -807.246358 where: bonds (distance) C4'-P energy: -136.161 bonds (distance) P-C4' energy: -153.299 flat angles C4'-P-C4' energy: -189.458 flat angles P-C4'-P energy: -124.306 tors. eta vs tors. theta energy: -204.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2476.295530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.295530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.295530 (E_RNA) where: Base-Base interactions energy: -1729.618 where: short stacking energy: -738.346 Base-Backbone interact. energy: -2.408 local terms energy: -744.269310 where: bonds (distance) C4'-P energy: -120.067 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -169.698 flat angles P-C4'-P energy: -109.123 tors. eta vs tors. theta energy: -196.776 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: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2272.075283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.075283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.075283 (E_RNA) where: Base-Base interactions energy: -1519.388 where: short stacking energy: -695.244 Base-Backbone interact. energy: -4.210 local terms energy: -748.477664 where: bonds (distance) C4'-P energy: -149.228 bonds (distance) P-C4' energy: -162.363 flat angles C4'-P-C4' energy: -157.367 flat angles P-C4'-P energy: -94.431 tors. eta vs tors. theta energy: -185.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2088.797605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.797605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.797605 (E_RNA) where: Base-Base interactions energy: -1405.742 where: short stacking energy: -604.835 Base-Backbone interact. energy: 0.626 local terms energy: -683.680828 where: bonds (distance) C4'-P energy: -141.288 bonds (distance) P-C4' energy: -152.412 flat angles C4'-P-C4' energy: -150.816 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: -157.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1667.130954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.130954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.130954 (E_RNA) where: Base-Base interactions energy: -1077.037 where: short stacking energy: -488.043 Base-Backbone interact. energy: -3.828 local terms energy: -586.266194 where: bonds (distance) C4'-P energy: -141.421 bonds (distance) P-C4' energy: -150.532 flat angles C4'-P-C4' energy: -149.829 flat angles P-C4'-P energy: -68.919 tors. eta vs tors. theta energy: -75.565 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: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1161.867096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.867096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.867096 (E_RNA) where: Base-Base interactions energy: -652.585 where: short stacking energy: -328.765 Base-Backbone interact. energy: 0.159 local terms energy: -509.441419 where: bonds (distance) C4'-P energy: -127.671 bonds (distance) P-C4' energy: -153.090 flat angles C4'-P-C4' energy: -127.195 flat angles P-C4'-P energy: -77.072 tors. eta vs tors. theta energy: -24.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1187.956944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.956944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.956944 (E_RNA) where: Base-Base interactions energy: -692.776 where: short stacking energy: -355.646 Base-Backbone interact. energy: 3.350 local terms energy: -498.530754 where: bonds (distance) C4'-P energy: -137.423 bonds (distance) P-C4' energy: -146.102 flat angles C4'-P-C4' energy: -117.554 flat angles P-C4'-P energy: -47.736 tors. eta vs tors. theta energy: -49.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2952.432295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.432295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.432295 (E_RNA) where: Base-Base interactions energy: -2039.328 where: short stacking energy: -846.608 Base-Backbone interact. energy: -4.599 local terms energy: -908.505252 where: bonds (distance) C4'-P energy: -168.046 bonds (distance) P-C4' energy: -158.438 flat angles C4'-P-C4' energy: -203.201 flat angles P-C4'-P energy: -144.768 tors. eta vs tors. theta energy: -234.053 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: 2 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2760.438037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.438037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.438037 (E_RNA) where: Base-Base interactions energy: -1889.173 where: short stacking energy: -878.743 Base-Backbone interact. energy: 0.584 local terms energy: -871.848724 where: bonds (distance) C4'-P energy: -158.983 bonds (distance) P-C4' energy: -171.432 flat angles C4'-P-C4' energy: -187.335 flat angles P-C4'-P energy: -117.824 tors. eta vs tors. theta energy: -236.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2802.974585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.974585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.974585 (E_RNA) where: Base-Base interactions energy: -1943.409 where: short stacking energy: -826.512 Base-Backbone interact. energy: -3.897 local terms energy: -855.669013 where: bonds (distance) C4'-P energy: -165.050 bonds (distance) P-C4' energy: -159.192 flat angles C4'-P-C4' energy: -195.116 flat angles P-C4'-P energy: -118.654 tors. eta vs tors. theta energy: -217.656 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: 4, replica: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2621.634860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.634860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.634860 (E_RNA) where: Base-Base interactions energy: -1789.065 where: short stacking energy: -760.975 Base-Backbone interact. energy: 1.951 local terms energy: -834.520687 where: bonds (distance) C4'-P energy: -157.190 bonds (distance) P-C4' energy: -170.227 flat angles C4'-P-C4' energy: -185.750 flat angles P-C4'-P energy: -115.275 tors. eta vs tors. theta energy: -206.079 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: 227 Temperature: 1.100000 Total energy: -2530.571574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.571574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.571574 (E_RNA) where: Base-Base interactions energy: -1736.274 where: short stacking energy: -722.086 Base-Backbone interact. energy: -4.485 local terms energy: -789.812701 where: bonds (distance) C4'-P energy: -143.593 bonds (distance) P-C4' energy: -153.533 flat angles C4'-P-C4' energy: -179.668 flat angles P-C4'-P energy: -104.901 tors. eta vs tors. theta energy: -208.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2288.653140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.653140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.653140 (E_RNA) where: Base-Base interactions energy: -1571.206 where: short stacking energy: -684.517 Base-Backbone interact. energy: -2.977 local terms energy: -714.469970 where: bonds (distance) C4'-P energy: -131.296 bonds (distance) P-C4' energy: -159.068 flat angles C4'-P-C4' energy: -159.912 flat angles P-C4'-P energy: -96.966 tors. eta vs tors. theta energy: -167.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2059.918354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.918354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.918354 (E_RNA) where: Base-Base interactions energy: -1359.121 where: short stacking energy: -605.720 Base-Backbone interact. energy: -5.899 local terms energy: -694.898199 where: bonds (distance) C4'-P energy: -141.437 bonds (distance) P-C4' energy: -132.958 flat angles C4'-P-C4' energy: -157.226 flat angles P-C4'-P energy: -110.121 tors. eta vs tors. theta energy: -153.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1761.354760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.354760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.354760 (E_RNA) where: Base-Base interactions energy: -1132.299 where: short stacking energy: -522.432 Base-Backbone interact. energy: -0.831 local terms energy: -628.225075 where: bonds (distance) C4'-P energy: -130.921 bonds (distance) P-C4' energy: -143.660 flat angles C4'-P-C4' energy: -144.640 flat angles P-C4'-P energy: -96.908 tors. eta vs tors. theta energy: -112.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1120.439009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.439009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.439009 (E_RNA) where: Base-Base interactions energy: -608.928 where: short stacking energy: -318.671 Base-Backbone interact. energy: -2.647 local terms energy: -508.864377 where: bonds (distance) C4'-P energy: -142.826 bonds (distance) P-C4' energy: -146.349 flat angles C4'-P-C4' energy: -130.286 flat angles P-C4'-P energy: -78.240 tors. eta vs tors. theta energy: -11.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1124.978156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.978156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.978156 (E_RNA) where: Base-Base interactions energy: -660.816 where: short stacking energy: -339.839 Base-Backbone interact. energy: 3.277 local terms energy: -467.439253 where: bonds (distance) C4'-P energy: -113.043 bonds (distance) P-C4' energy: -125.717 flat angles C4'-P-C4' energy: -123.092 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -33.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2967.154322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.154322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.154322 (E_RNA) where: Base-Base interactions energy: -2061.188 where: short stacking energy: -853.130 Base-Backbone interact. energy: -7.499 local terms energy: -898.467887 where: bonds (distance) C4'-P energy: -166.986 bonds (distance) P-C4' energy: -166.335 flat angles C4'-P-C4' energy: -186.428 flat angles P-C4'-P energy: -130.839 tors. eta vs tors. theta energy: -247.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2792.687094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.687094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.687094 (E_RNA) where: Base-Base interactions energy: -1907.686 where: short stacking energy: -828.547 Base-Backbone interact. energy: -4.869 local terms energy: -880.132827 where: bonds (distance) C4'-P energy: -170.374 bonds (distance) P-C4' energy: -154.326 flat angles C4'-P-C4' energy: -193.886 flat angles P-C4'-P energy: -112.625 tors. eta vs tors. theta energy: -248.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2786.761360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.761360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.761360 (E_RNA) where: Base-Base interactions energy: -1983.036 where: short stacking energy: -826.801 Base-Backbone interact. energy: -1.474 local terms energy: -802.251436 where: bonds (distance) C4'-P energy: -150.000 bonds (distance) P-C4' energy: -172.496 flat angles C4'-P-C4' energy: -161.395 flat angles P-C4'-P energy: -106.641 tors. eta vs tors. theta energy: -211.720 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: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2626.000658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.000658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.000658 (E_RNA) where: Base-Base interactions energy: -1811.718 where: short stacking energy: -775.901 Base-Backbone interact. energy: -3.235 local terms energy: -811.047420 where: bonds (distance) C4'-P energy: -147.506 bonds (distance) P-C4' energy: -150.830 flat angles C4'-P-C4' energy: -177.027 flat angles P-C4'-P energy: -124.254 tors. eta vs tors. theta energy: -211.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2470.130529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.130529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.130529 (E_RNA) where: Base-Base interactions energy: -1691.908 where: short stacking energy: -720.604 Base-Backbone interact. energy: -1.682 local terms energy: -776.539938 where: bonds (distance) C4'-P energy: -163.194 bonds (distance) P-C4' energy: -157.617 flat angles C4'-P-C4' energy: -162.333 flat angles P-C4'-P energy: -101.212 tors. eta vs tors. theta energy: -192.185 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: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2306.981509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.981509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.981509 (E_RNA) where: Base-Base interactions energy: -1570.820 where: short stacking energy: -670.636 Base-Backbone interact. energy: 0.057 local terms energy: -736.219289 where: bonds (distance) C4'-P energy: -144.020 bonds (distance) P-C4' energy: -141.810 flat angles C4'-P-C4' energy: -148.230 flat angles P-C4'-P energy: -106.229 tors. eta vs tors. theta energy: -195.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2012.394071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.394071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.394071 (E_RNA) where: Base-Base interactions energy: -1317.535 where: short stacking energy: -589.991 Base-Backbone interact. energy: 0.078 local terms energy: -694.937682 where: bonds (distance) C4'-P energy: -137.073 bonds (distance) P-C4' energy: -168.405 flat angles C4'-P-C4' energy: -153.612 flat angles P-C4'-P energy: -106.487 tors. eta vs tors. theta energy: -129.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1765.745178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.745178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.745178 (E_RNA) where: Base-Base interactions energy: -1155.841 where: short stacking energy: -533.249 Base-Backbone interact. energy: -1.879 local terms energy: -608.025142 where: bonds (distance) C4'-P energy: -114.892 bonds (distance) P-C4' energy: -139.870 flat angles C4'-P-C4' energy: -132.314 flat angles P-C4'-P energy: -103.120 tors. eta vs tors. theta energy: -117.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1140.895185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.895185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.895185 (E_RNA) where: Base-Base interactions energy: -634.137 where: short stacking energy: -366.428 Base-Backbone interact. energy: -0.670 local terms energy: -506.088483 where: bonds (distance) C4'-P energy: -145.000 bonds (distance) P-C4' energy: -132.525 flat angles C4'-P-C4' energy: -127.718 flat angles P-C4'-P energy: -55.172 tors. eta vs tors. theta energy: -45.674 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: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1055.443240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.443240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.443240 (E_RNA) where: Base-Base interactions energy: -583.383 where: short stacking energy: -309.609 Base-Backbone interact. energy: -0.871 local terms energy: -471.188513 where: bonds (distance) C4'-P energy: -128.846 bonds (distance) P-C4' energy: -137.289 flat angles C4'-P-C4' energy: -138.656 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: -8.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2959.269260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.269260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.269260 (E_RNA) where: Base-Base interactions energy: -2057.793 where: short stacking energy: -808.647 Base-Backbone interact. energy: -5.889 local terms energy: -895.587148 where: bonds (distance) C4'-P energy: -169.858 bonds (distance) P-C4' energy: -172.806 flat angles C4'-P-C4' energy: -197.461 flat angles P-C4'-P energy: -121.600 tors. eta vs tors. theta energy: -233.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2874.417625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.417625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.417625 (E_RNA) where: Base-Base interactions energy: -2021.160 where: short stacking energy: -857.292 Base-Backbone interact. energy: -1.021 local terms energy: -852.236421 where: bonds (distance) C4'-P energy: -155.043 bonds (distance) P-C4' energy: -164.019 flat angles C4'-P-C4' energy: -182.621 flat angles P-C4'-P energy: -121.909 tors. eta vs tors. theta energy: -228.645 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: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2751.019950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.019950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.019950 (E_RNA) where: Base-Base interactions energy: -1902.279 where: short stacking energy: -821.126 Base-Backbone interact. energy: -3.587 local terms energy: -845.153890 where: bonds (distance) C4'-P energy: -149.668 bonds (distance) P-C4' energy: -162.987 flat angles C4'-P-C4' energy: -187.455 flat angles P-C4'-P energy: -108.925 tors. eta vs tors. theta energy: -236.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2617.213856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.213856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.213856 (E_RNA) where: Base-Base interactions energy: -1794.121 where: short stacking energy: -783.764 Base-Backbone interact. energy: -0.595 local terms energy: -822.497590 where: bonds (distance) C4'-P energy: -177.468 bonds (distance) P-C4' energy: -151.031 flat angles C4'-P-C4' energy: -176.140 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -213.689 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: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2488.966964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.966964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.966964 (E_RNA) where: Base-Base interactions energy: -1743.148 where: short stacking energy: -757.248 Base-Backbone interact. energy: 2.061 local terms energy: -747.880736 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -140.182 flat angles C4'-P-C4' energy: -181.908 flat angles P-C4'-P energy: -114.636 tors. eta vs tors. theta energy: -183.664 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2377.513151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.513151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.513151 (E_RNA) where: Base-Base interactions energy: -1628.588 where: short stacking energy: -704.387 Base-Backbone interact. energy: -1.295 local terms energy: -747.630346 where: bonds (distance) C4'-P energy: -160.172 bonds (distance) P-C4' energy: -124.915 flat angles C4'-P-C4' energy: -161.991 flat angles P-C4'-P energy: -108.867 tors. eta vs tors. theta energy: -191.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2052.029632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.029632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.029632 (E_RNA) where: Base-Base interactions energy: -1383.624 where: short stacking energy: -591.205 Base-Backbone interact. energy: 1.842 local terms energy: -670.247558 where: bonds (distance) C4'-P energy: -130.479 bonds (distance) P-C4' energy: -138.407 flat angles C4'-P-C4' energy: -150.252 flat angles P-C4'-P energy: -107.360 tors. eta vs tors. theta energy: -143.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1757.121065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.121065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.121065 (E_RNA) where: Base-Base interactions energy: -1138.083 where: short stacking energy: -553.242 Base-Backbone interact. energy: 0.226 local terms energy: -619.263843 where: bonds (distance) C4'-P energy: -134.554 bonds (distance) P-C4' energy: -144.691 flat angles C4'-P-C4' energy: -135.658 flat angles P-C4'-P energy: -92.478 tors. eta vs tors. theta energy: -111.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1219.820640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.820640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.820640 (E_RNA) where: Base-Base interactions energy: -713.427 where: short stacking energy: -354.181 Base-Backbone interact. energy: -0.808 local terms energy: -505.586067 where: bonds (distance) C4'-P energy: -140.945 bonds (distance) P-C4' energy: -143.837 flat angles C4'-P-C4' energy: -113.385 flat angles P-C4'-P energy: -75.273 tors. eta vs tors. theta energy: -32.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1057.644277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.644277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.644277 (E_RNA) where: Base-Base interactions energy: -606.396 where: short stacking energy: -292.955 Base-Backbone interact. energy: 5.152 local terms energy: -456.400576 where: bonds (distance) C4'-P energy: -138.139 bonds (distance) P-C4' energy: -132.182 flat angles C4'-P-C4' energy: -109.337 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2968.932465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.932465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.932465 (E_RNA) where: Base-Base interactions energy: -2100.794 where: short stacking energy: -854.014 Base-Backbone interact. energy: -0.407 local terms energy: -867.731410 where: bonds (distance) C4'-P energy: -166.903 bonds (distance) P-C4' energy: -149.255 flat angles C4'-P-C4' energy: -190.657 flat angles P-C4'-P energy: -116.547 tors. eta vs tors. theta energy: -244.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2860.764822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.764822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.764822 (E_RNA) where: Base-Base interactions energy: -1981.732 where: short stacking energy: -828.606 Base-Backbone interact. energy: -4.928 local terms energy: -874.104553 where: bonds (distance) C4'-P energy: -169.585 bonds (distance) P-C4' energy: -172.684 flat angles C4'-P-C4' energy: -186.630 flat angles P-C4'-P energy: -131.927 tors. eta vs tors. theta energy: -213.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2706.560106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.560106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.560106 (E_RNA) where: Base-Base interactions energy: -1868.668 where: short stacking energy: -833.486 Base-Backbone interact. energy: -0.703 local terms energy: -837.188440 where: bonds (distance) C4'-P energy: -159.158 bonds (distance) P-C4' energy: -148.129 flat angles C4'-P-C4' energy: -190.357 flat angles P-C4'-P energy: -110.063 tors. eta vs tors. theta energy: -229.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2637.357844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.357844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.357844 (E_RNA) where: Base-Base interactions energy: -1810.801 where: short stacking energy: -797.307 Base-Backbone interact. energy: -5.061 local terms energy: -821.495342 where: bonds (distance) C4'-P energy: -155.431 bonds (distance) P-C4' energy: -156.937 flat angles C4'-P-C4' energy: -178.010 flat angles P-C4'-P energy: -110.641 tors. eta vs tors. theta energy: -220.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2463.826654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.826654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.826654 (E_RNA) where: Base-Base interactions energy: -1682.857 where: short stacking energy: -721.750 Base-Backbone interact. energy: -0.859 local terms energy: -780.111304 where: bonds (distance) C4'-P energy: -151.044 bonds (distance) P-C4' energy: -141.670 flat angles C4'-P-C4' energy: -177.779 flat angles P-C4'-P energy: -108.125 tors. eta vs tors. theta energy: -201.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2298.259273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.259273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.259273 (E_RNA) where: Base-Base interactions energy: -1570.740 where: short stacking energy: -681.656 Base-Backbone interact. energy: -1.648 local terms energy: -725.871086 where: bonds (distance) C4'-P energy: -136.766 bonds (distance) P-C4' energy: -144.810 flat angles C4'-P-C4' energy: -164.371 flat angles P-C4'-P energy: -86.256 tors. eta vs tors. theta energy: -193.668 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: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2144.476797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.476797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.476797 (E_RNA) where: Base-Base interactions energy: -1455.637 where: short stacking energy: -657.285 Base-Backbone interact. energy: 2.255 local terms energy: -691.095365 where: bonds (distance) C4'-P energy: -136.743 bonds (distance) P-C4' energy: -136.408 flat angles C4'-P-C4' energy: -156.186 flat angles P-C4'-P energy: -96.015 tors. eta vs tors. theta energy: -165.744 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: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1819.791534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.791534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.791534 (E_RNA) where: Base-Base interactions energy: -1173.843 where: short stacking energy: -490.072 Base-Backbone interact. energy: -0.946 local terms energy: -645.002367 where: bonds (distance) C4'-P energy: -160.059 bonds (distance) P-C4' energy: -161.330 flat angles C4'-P-C4' energy: -148.446 flat angles P-C4'-P energy: -76.692 tors. eta vs tors. theta energy: -98.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1252.597871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.597871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.597871 (E_RNA) where: Base-Base interactions energy: -713.482 where: short stacking energy: -346.438 Base-Backbone interact. energy: 2.214 local terms energy: -541.329146 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -159.480 flat angles C4'-P-C4' energy: -116.788 flat angles P-C4'-P energy: -72.643 tors. eta vs tors. theta energy: -51.842 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: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1070.764145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.764145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.764145 (E_RNA) where: Base-Base interactions energy: -588.927 where: short stacking energy: -307.980 Base-Backbone interact. energy: 2.943 local terms energy: -484.779966 where: bonds (distance) C4'-P energy: -144.026 bonds (distance) P-C4' energy: -144.707 flat angles C4'-P-C4' energy: -111.471 flat angles P-C4'-P energy: -76.347 tors. eta vs tors. theta energy: -8.228 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2952.085025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.085025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.085025 (E_RNA) where: Base-Base interactions energy: -2094.397 where: short stacking energy: -878.663 Base-Backbone interact. energy: 2.033 local terms energy: -859.721096 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -149.823 flat angles C4'-P-C4' energy: -177.031 flat angles P-C4'-P energy: -132.743 tors. eta vs tors. theta energy: -235.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2847.425346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.425346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.425346 (E_RNA) where: Base-Base interactions energy: -1996.274 where: short stacking energy: -859.217 Base-Backbone interact. energy: -4.666 local terms energy: -846.485524 where: bonds (distance) C4'-P energy: -160.704 bonds (distance) P-C4' energy: -150.974 flat angles C4'-P-C4' energy: -192.240 flat angles P-C4'-P energy: -109.704 tors. eta vs tors. theta energy: -232.863 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: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2737.991045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.991045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.991045 (E_RNA) where: Base-Base interactions energy: -1865.905 where: short stacking energy: -869.382 Base-Backbone interact. energy: -2.197 local terms energy: -869.889569 where: bonds (distance) C4'-P energy: -153.711 bonds (distance) P-C4' energy: -161.712 flat angles C4'-P-C4' energy: -186.641 flat angles P-C4'-P energy: -113.756 tors. eta vs tors. theta energy: -254.070 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: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2623.465483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.465483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.465483 (E_RNA) where: Base-Base interactions energy: -1796.544 where: short stacking energy: -792.041 Base-Backbone interact. energy: -1.846 local terms energy: -825.075569 where: bonds (distance) C4'-P energy: -123.633 bonds (distance) P-C4' energy: -179.826 flat angles C4'-P-C4' energy: -183.469 flat angles P-C4'-P energy: -120.387 tors. eta vs tors. theta energy: -217.760 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: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2414.134605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.134605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.134605 (E_RNA) where: Base-Base interactions energy: -1678.241 where: short stacking energy: -716.812 Base-Backbone interact. energy: -4.880 local terms energy: -731.013935 where: bonds (distance) C4'-P energy: -132.502 bonds (distance) P-C4' energy: -133.830 flat angles C4'-P-C4' energy: -176.629 flat angles P-C4'-P energy: -112.038 tors. eta vs tors. theta energy: -176.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2280.509123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.509123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.509123 (E_RNA) where: Base-Base interactions energy: -1571.680 where: short stacking energy: -653.442 Base-Backbone interact. energy: -3.260 local terms energy: -705.568924 where: bonds (distance) C4'-P energy: -139.175 bonds (distance) P-C4' energy: -132.154 flat angles C4'-P-C4' energy: -164.324 flat angles P-C4'-P energy: -106.201 tors. eta vs tors. theta energy: -163.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2101.185222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.185222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.185222 (E_RNA) where: Base-Base interactions energy: -1406.588 where: short stacking energy: -616.098 Base-Backbone interact. energy: -2.072 local terms energy: -692.525924 where: bonds (distance) C4'-P energy: -155.010 bonds (distance) P-C4' energy: -133.014 flat angles C4'-P-C4' energy: -165.267 flat angles P-C4'-P energy: -103.085 tors. eta vs tors. theta energy: -136.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1789.576506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.576506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.576506 (E_RNA) where: Base-Base interactions energy: -1225.209 where: short stacking energy: -523.536 Base-Backbone interact. energy: 2.747 local terms energy: -567.114407 where: bonds (distance) C4'-P energy: -129.194 bonds (distance) P-C4' energy: -129.936 flat angles C4'-P-C4' energy: -111.983 flat angles P-C4'-P energy: -71.710 tors. eta vs tors. theta energy: -124.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1296.559641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.559641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.559641 (E_RNA) where: Base-Base interactions energy: -794.911 where: short stacking energy: -387.001 Base-Backbone interact. energy: 2.978 local terms energy: -504.626635 where: bonds (distance) C4'-P energy: -142.520 bonds (distance) P-C4' energy: -113.512 flat angles C4'-P-C4' energy: -151.139 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -34.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1134.382828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.382828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.382828 (E_RNA) where: Base-Base interactions energy: -674.863 where: short stacking energy: -329.430 Base-Backbone interact. energy: 1.409 local terms energy: -460.929068 where: bonds (distance) C4'-P energy: -115.552 bonds (distance) P-C4' energy: -156.753 flat angles C4'-P-C4' energy: -118.300 flat angles P-C4'-P energy: -59.525 tors. eta vs tors. theta energy: -10.800 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: 232 Temperature: 0.900000 Total energy: -2984.965810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.965810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.965810 (E_RNA) where: Base-Base interactions energy: -2090.219 where: short stacking energy: -861.265 Base-Backbone interact. energy: -3.818 local terms energy: -890.928542 where: bonds (distance) C4'-P energy: -178.267 bonds (distance) P-C4' energy: -162.356 flat angles C4'-P-C4' energy: -191.639 flat angles P-C4'-P energy: -124.835 tors. eta vs tors. theta energy: -233.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2882.062883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.062883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.062883 (E_RNA) where: Base-Base interactions energy: -2020.188 where: short stacking energy: -848.997 Base-Backbone interact. energy: -2.780 local terms energy: -859.094767 where: bonds (distance) C4'-P energy: -154.237 bonds (distance) P-C4' energy: -147.809 flat angles C4'-P-C4' energy: -194.569 flat angles P-C4'-P energy: -125.959 tors. eta vs tors. theta energy: -236.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2759.786503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.786503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.786503 (E_RNA) where: Base-Base interactions energy: -1898.410 where: short stacking energy: -858.064 Base-Backbone interact. energy: -3.181 local terms energy: -858.195834 where: bonds (distance) C4'-P energy: -140.433 bonds (distance) P-C4' energy: -166.104 flat angles C4'-P-C4' energy: -184.450 flat angles P-C4'-P energy: -117.694 tors. eta vs tors. theta energy: -249.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2587.952961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.952961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.952961 (E_RNA) where: Base-Base interactions energy: -1790.144 where: short stacking energy: -788.166 Base-Backbone interact. energy: -0.421 local terms energy: -797.387856 where: bonds (distance) C4'-P energy: -137.731 bonds (distance) P-C4' energy: -150.825 flat angles C4'-P-C4' energy: -161.106 flat angles P-C4'-P energy: -128.239 tors. eta vs tors. theta energy: -219.486 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: 5 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2456.197479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.197479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.197479 (E_RNA) where: Base-Base interactions energy: -1716.346 where: short stacking energy: -721.230 Base-Backbone interact. energy: -0.455 local terms energy: -739.396552 where: bonds (distance) C4'-P energy: -147.631 bonds (distance) P-C4' energy: -149.358 flat angles C4'-P-C4' energy: -150.714 flat angles P-C4'-P energy: -102.705 tors. eta vs tors. theta energy: -188.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2271.758837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.758837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.758837 (E_RNA) where: Base-Base interactions energy: -1527.834 where: short stacking energy: -669.676 Base-Backbone interact. energy: -3.892 local terms energy: -740.032401 where: bonds (distance) C4'-P energy: -127.106 bonds (distance) P-C4' energy: -160.818 flat angles C4'-P-C4' energy: -165.646 flat angles P-C4'-P energy: -110.755 tors. eta vs tors. theta energy: -175.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2044.131818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.131818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.131818 (E_RNA) where: Base-Base interactions energy: -1398.517 where: short stacking energy: -627.769 Base-Backbone interact. energy: 1.484 local terms energy: -647.099151 where: bonds (distance) C4'-P energy: -127.747 bonds (distance) P-C4' energy: -128.830 flat angles C4'-P-C4' energy: -152.518 flat angles P-C4'-P energy: -103.013 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: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1811.682427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.682427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.682427 (E_RNA) where: Base-Base interactions energy: -1212.218 where: short stacking energy: -505.814 Base-Backbone interact. energy: -1.285 local terms energy: -598.178797 where: bonds (distance) C4'-P energy: -129.146 bonds (distance) P-C4' energy: -155.158 flat angles C4'-P-C4' energy: -128.512 flat angles P-C4'-P energy: -81.915 tors. eta vs tors. theta energy: -103.448 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: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1274.824312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.824312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.824312 (E_RNA) where: Base-Base interactions energy: -760.509 where: short stacking energy: -369.102 Base-Backbone interact. energy: 7.040 local terms energy: -521.355617 where: bonds (distance) C4'-P energy: -139.535 bonds (distance) P-C4' energy: -137.758 flat angles C4'-P-C4' energy: -129.302 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: -53.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1159.486752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.486752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.486752 (E_RNA) where: Base-Base interactions energy: -675.181 where: short stacking energy: -339.167 Base-Backbone interact. energy: 3.132 local terms energy: -487.438081 where: bonds (distance) C4'-P energy: -131.211 bonds (distance) P-C4' energy: -137.454 flat angles C4'-P-C4' energy: -134.761 flat angles P-C4'-P energy: -74.000 tors. eta vs tors. theta energy: -10.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2988.020995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.020995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.020995 (E_RNA) where: Base-Base interactions energy: -2094.009 where: short stacking energy: -889.763 Base-Backbone interact. energy: -5.302 local terms energy: -888.709845 where: bonds (distance) C4'-P energy: -172.131 bonds (distance) P-C4' energy: -151.967 flat angles C4'-P-C4' energy: -193.781 flat angles P-C4'-P energy: -131.617 tors. eta vs tors. theta energy: -239.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2862.147113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.147113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.147113 (E_RNA) where: Base-Base interactions energy: -1992.240 where: short stacking energy: -855.465 Base-Backbone interact. energy: -0.762 local terms energy: -869.145646 where: bonds (distance) C4'-P energy: -157.125 bonds (distance) P-C4' energy: -160.965 flat angles C4'-P-C4' energy: -204.248 flat angles P-C4'-P energy: -120.882 tors. eta vs tors. theta energy: -225.926 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: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2768.825264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.825264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.825264 (E_RNA) where: Base-Base interactions energy: -1899.054 where: short stacking energy: -835.431 Base-Backbone interact. energy: -0.132 local terms energy: -869.639361 where: bonds (distance) C4'-P energy: -158.412 bonds (distance) P-C4' energy: -168.077 flat angles C4'-P-C4' energy: -190.524 flat angles P-C4'-P energy: -112.845 tors. eta vs tors. theta energy: -239.780 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: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2589.869166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.869166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.869166 (E_RNA) where: Base-Base interactions energy: -1777.266 where: short stacking energy: -765.205 Base-Backbone interact. energy: -1.550 local terms energy: -811.052959 where: bonds (distance) C4'-P energy: -142.562 bonds (distance) P-C4' energy: -140.866 flat angles C4'-P-C4' energy: -188.121 flat angles P-C4'-P energy: -119.194 tors. eta vs tors. theta energy: -220.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2436.705845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.705845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.705845 (E_RNA) where: Base-Base interactions energy: -1683.026 where: short stacking energy: -722.404 Base-Backbone interact. energy: -4.574 local terms energy: -749.105375 where: bonds (distance) C4'-P energy: -144.322 bonds (distance) P-C4' energy: -150.762 flat angles C4'-P-C4' energy: -169.507 flat angles P-C4'-P energy: -106.144 tors. eta vs tors. theta energy: -178.371 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: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2242.978076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.978076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.978076 (E_RNA) where: Base-Base interactions energy: -1494.989 where: short stacking energy: -654.967 Base-Backbone interact. energy: 0.696 local terms energy: -748.685860 where: bonds (distance) C4'-P energy: -150.138 bonds (distance) P-C4' energy: -163.302 flat angles C4'-P-C4' energy: -161.929 flat angles P-C4'-P energy: -99.734 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: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2082.851825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.851825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.851825 (E_RNA) where: Base-Base interactions energy: -1346.146 where: short stacking energy: -640.403 Base-Backbone interact. energy: -0.167 local terms energy: -736.538786 where: bonds (distance) C4'-P energy: -144.718 bonds (distance) P-C4' energy: -158.798 flat angles C4'-P-C4' energy: -175.111 flat angles P-C4'-P energy: -98.804 tors. eta vs tors. theta energy: -159.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1796.010055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.010055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.010055 (E_RNA) where: Base-Base interactions energy: -1195.374 where: short stacking energy: -525.887 Base-Backbone interact. energy: -4.681 local terms energy: -595.954495 where: bonds (distance) C4'-P energy: -133.529 bonds (distance) P-C4' energy: -128.027 flat angles C4'-P-C4' energy: -158.305 flat angles P-C4'-P energy: -83.604 tors. eta vs tors. theta energy: -92.489 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: 9, replica: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1224.475577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.475577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.475577 (E_RNA) where: Base-Base interactions energy: -712.078 where: short stacking energy: -344.503 Base-Backbone interact. energy: 9.507 local terms energy: -521.904285 where: bonds (distance) C4'-P energy: -147.416 bonds (distance) P-C4' energy: -158.501 flat angles C4'-P-C4' energy: -122.532 flat angles P-C4'-P energy: -70.104 tors. eta vs tors. theta energy: -23.352 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: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1132.192295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.192295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.192295 (E_RNA) where: Base-Base interactions energy: -674.815 where: short stacking energy: -335.556 Base-Backbone interact. energy: -2.382 local terms energy: -454.994545 where: bonds (distance) C4'-P energy: -129.259 bonds (distance) P-C4' energy: -129.996 flat angles C4'-P-C4' energy: -120.894 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -14.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2986.610561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.610561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.610561 (E_RNA) where: Base-Base interactions energy: -2100.235 where: short stacking energy: -857.778 Base-Backbone interact. energy: -4.853 local terms energy: -881.522022 where: bonds (distance) C4'-P energy: -158.786 bonds (distance) P-C4' energy: -171.159 flat angles C4'-P-C4' energy: -198.572 flat angles P-C4'-P energy: -126.826 tors. eta vs tors. theta energy: -226.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2849.279339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.279339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.279339 (E_RNA) where: Base-Base interactions energy: -1959.857 where: short stacking energy: -848.807 Base-Backbone interact. energy: -1.247 local terms energy: -888.175182 where: bonds (distance) C4'-P energy: -154.305 bonds (distance) P-C4' energy: -177.155 flat angles C4'-P-C4' energy: -188.944 flat angles P-C4'-P energy: -138.046 tors. eta vs tors. theta energy: -229.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2776.846172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.846172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.846172 (E_RNA) where: Base-Base interactions energy: -1912.685 where: short stacking energy: -837.761 Base-Backbone interact. energy: -3.678 local terms energy: -860.483105 where: bonds (distance) C4'-P energy: -158.322 bonds (distance) P-C4' energy: -161.278 flat angles C4'-P-C4' energy: -182.462 flat angles P-C4'-P energy: -117.388 tors. eta vs tors. theta energy: -241.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2555.563460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.563460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.563460 (E_RNA) where: Base-Base interactions energy: -1745.972 where: short stacking energy: -774.094 Base-Backbone interact. energy: -2.090 local terms energy: -807.501933 where: bonds (distance) C4'-P energy: -133.385 bonds (distance) P-C4' energy: -161.723 flat angles C4'-P-C4' energy: -192.925 flat angles P-C4'-P energy: -95.268 tors. eta vs tors. theta energy: -224.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2488.044741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.044741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.044741 (E_RNA) where: Base-Base interactions energy: -1714.109 where: short stacking energy: -724.857 Base-Backbone interact. energy: 1.990 local terms energy: -775.924874 where: bonds (distance) C4'-P energy: -153.599 bonds (distance) P-C4' energy: -166.341 flat angles C4'-P-C4' energy: -165.752 flat angles P-C4'-P energy: -114.521 tors. eta vs tors. theta energy: -175.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2286.539947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.539947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.539947 (E_RNA) where: Base-Base interactions energy: -1554.366 where: short stacking energy: -662.053 Base-Backbone interact. energy: -0.227 local terms energy: -731.947077 where: bonds (distance) C4'-P energy: -144.904 bonds (distance) P-C4' energy: -150.366 flat angles C4'-P-C4' energy: -159.883 flat angles P-C4'-P energy: -117.559 tors. eta vs tors. theta energy: -159.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2082.033094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.033094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.033094 (E_RNA) where: Base-Base interactions energy: -1409.173 where: short stacking energy: -600.089 Base-Backbone interact. energy: 1.099 local terms energy: -673.958329 where: bonds (distance) C4'-P energy: -138.079 bonds (distance) P-C4' energy: -134.026 flat angles C4'-P-C4' energy: -142.255 flat angles P-C4'-P energy: -118.764 tors. eta vs tors. theta energy: -140.835 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: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1855.722614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.722614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.722614 (E_RNA) where: Base-Base interactions energy: -1191.546 where: short stacking energy: -531.240 Base-Backbone interact. energy: -2.703 local terms energy: -661.473608 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -150.626 flat angles C4'-P-C4' energy: -147.588 flat angles P-C4'-P energy: -89.356 tors. eta vs tors. theta energy: -126.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1309.704974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.704974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.704974 (E_RNA) where: Base-Base interactions energy: -771.734 where: short stacking energy: -370.196 Base-Backbone interact. energy: -1.710 local terms energy: -536.260352 where: bonds (distance) C4'-P energy: -150.377 bonds (distance) P-C4' energy: -148.740 flat angles C4'-P-C4' energy: -138.974 flat angles P-C4'-P energy: -62.503 tors. eta vs tors. theta energy: -35.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1094.202890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.202890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.202890 (E_RNA) where: Base-Base interactions energy: -617.154 where: short stacking energy: -306.646 Base-Backbone interact. energy: 0.810 local terms energy: -477.859284 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -150.670 flat angles C4'-P-C4' energy: -105.633 flat angles P-C4'-P energy: -68.076 tors. eta vs tors. theta energy: -24.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2977.434345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.434345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.434345 (E_RNA) where: Base-Base interactions energy: -2070.436 where: short stacking energy: -874.788 Base-Backbone interact. energy: -4.490 local terms energy: -902.508986 where: bonds (distance) C4'-P energy: -177.781 bonds (distance) P-C4' energy: -171.435 flat angles C4'-P-C4' energy: -192.789 flat angles P-C4'-P energy: -126.153 tors. eta vs tors. theta energy: -234.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2805.394801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.394801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.394801 (E_RNA) where: Base-Base interactions energy: -1932.329 where: short stacking energy: -829.870 Base-Backbone interact. energy: 1.878 local terms energy: -874.943170 where: bonds (distance) C4'-P energy: -176.636 bonds (distance) P-C4' energy: -173.319 flat angles C4'-P-C4' energy: -184.855 flat angles P-C4'-P energy: -113.262 tors. eta vs tors. theta energy: -226.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2747.747778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.747778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.747778 (E_RNA) where: Base-Base interactions energy: -1921.081 where: short stacking energy: -866.863 Base-Backbone interact. energy: -2.490 local terms energy: -824.177058 where: bonds (distance) C4'-P energy: -159.114 bonds (distance) P-C4' energy: -148.344 flat angles C4'-P-C4' energy: -183.099 flat angles P-C4'-P energy: -104.951 tors. eta vs tors. theta energy: -228.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2659.234656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.234656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.234656 (E_RNA) where: Base-Base interactions energy: -1793.201 where: short stacking energy: -795.599 Base-Backbone interact. energy: -2.674 local terms energy: -863.360079 where: bonds (distance) C4'-P energy: -165.047 bonds (distance) P-C4' energy: -173.845 flat angles C4'-P-C4' energy: -186.970 flat angles P-C4'-P energy: -120.437 tors. eta vs tors. theta energy: -217.061 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: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2460.046894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.046894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.046894 (E_RNA) where: Base-Base interactions energy: -1689.788 where: short stacking energy: -720.874 Base-Backbone interact. energy: -3.526 local terms energy: -766.732965 where: bonds (distance) C4'-P energy: -139.947 bonds (distance) P-C4' energy: -164.052 flat angles C4'-P-C4' energy: -181.305 flat angles P-C4'-P energy: -105.755 tors. eta vs tors. theta energy: -175.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2273.222543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.222543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.222543 (E_RNA) where: Base-Base interactions energy: -1575.236 where: short stacking energy: -688.101 Base-Backbone interact. energy: 3.178 local terms energy: -701.163937 where: bonds (distance) C4'-P energy: -128.188 bonds (distance) P-C4' energy: -134.191 flat angles C4'-P-C4' energy: -171.455 flat angles P-C4'-P energy: -94.484 tors. eta vs tors. theta energy: -172.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2085.704608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.704608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.704608 (E_RNA) where: Base-Base interactions energy: -1399.371 where: short stacking energy: -594.656 Base-Backbone interact. energy: -0.252 local terms energy: -686.082223 where: bonds (distance) C4'-P energy: -132.208 bonds (distance) P-C4' energy: -154.654 flat angles C4'-P-C4' energy: -162.711 flat angles P-C4'-P energy: -92.401 tors. eta vs tors. theta energy: -144.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1712.340781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.340781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.340781 (E_RNA) where: Base-Base interactions energy: -1153.522 where: short stacking energy: -516.162 Base-Backbone interact. energy: -2.217 local terms energy: -556.601779 where: bonds (distance) C4'-P energy: -129.931 bonds (distance) P-C4' energy: -125.347 flat angles C4'-P-C4' energy: -138.317 flat angles P-C4'-P energy: -66.934 tors. eta vs tors. theta energy: -96.074 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: 9, replica: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1403.230475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.230475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.230475 (E_RNA) where: Base-Base interactions energy: -867.350 where: short stacking energy: -397.093 Base-Backbone interact. energy: 6.374 local terms energy: -542.254701 where: bonds (distance) C4'-P energy: -125.357 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -138.531 flat angles P-C4'-P energy: -79.472 tors. eta vs tors. theta energy: -55.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1113.502461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.502461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.502461 (E_RNA) where: Base-Base interactions energy: -647.886 where: short stacking energy: -319.624 Base-Backbone interact. energy: 3.053 local terms energy: -468.669416 where: bonds (distance) C4'-P energy: -121.898 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -118.954 flat angles P-C4'-P energy: -50.955 tors. eta vs tors. theta energy: -29.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2952.616389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.616389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.616389 (E_RNA) where: Base-Base interactions energy: -2054.287 where: short stacking energy: -844.874 Base-Backbone interact. energy: -7.013 local terms energy: -891.315809 where: bonds (distance) C4'-P energy: -179.858 bonds (distance) P-C4' energy: -170.638 flat angles C4'-P-C4' energy: -188.743 flat angles P-C4'-P energy: -128.797 tors. eta vs tors. theta energy: -223.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2826.144391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.144391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.144391 (E_RNA) where: Base-Base interactions energy: -1949.369 where: short stacking energy: -826.769 Base-Backbone interact. energy: 0.285 local terms energy: -877.060330 where: bonds (distance) C4'-P energy: -166.261 bonds (distance) P-C4' energy: -172.908 flat angles C4'-P-C4' energy: -189.791 flat angles P-C4'-P energy: -115.395 tors. eta vs tors. theta energy: -232.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2798.929779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.929779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.929779 (E_RNA) where: Base-Base interactions energy: -1899.251 where: short stacking energy: -863.522 Base-Backbone interact. energy: -4.629 local terms energy: -895.049521 where: bonds (distance) C4'-P energy: -176.714 bonds (distance) P-C4' energy: -177.983 flat angles C4'-P-C4' energy: -182.864 flat angles P-C4'-P energy: -112.828 tors. eta vs tors. theta energy: -244.660 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: 236 Temperature: 1.050000 Total energy: -2631.885790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.885790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.885790 (E_RNA) where: Base-Base interactions energy: -1809.852 where: short stacking energy: -783.256 Base-Backbone interact. energy: -5.762 local terms energy: -816.272054 where: bonds (distance) C4'-P energy: -165.962 bonds (distance) P-C4' energy: -137.037 flat angles C4'-P-C4' energy: -182.858 flat angles P-C4'-P energy: -115.187 tors. eta vs tors. theta energy: -215.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2428.460424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.460424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.460424 (E_RNA) where: Base-Base interactions energy: -1663.365 where: short stacking energy: -694.897 Base-Backbone interact. energy: 0.021 local terms energy: -765.116407 where: bonds (distance) C4'-P energy: -150.896 bonds (distance) P-C4' energy: -154.278 flat angles C4'-P-C4' energy: -167.157 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -183.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2302.054058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.054058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.054058 (E_RNA) where: Base-Base interactions energy: -1569.088 where: short stacking energy: -668.007 Base-Backbone interact. energy: 4.660 local terms energy: -737.625719 where: bonds (distance) C4'-P energy: -147.246 bonds (distance) P-C4' energy: -157.247 flat angles C4'-P-C4' energy: -151.680 flat angles P-C4'-P energy: -108.542 tors. eta vs tors. theta energy: -172.910 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: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2080.380731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.380731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.380731 (E_RNA) where: Base-Base interactions energy: -1377.648 where: short stacking energy: -621.558 Base-Backbone interact. energy: 1.335 local terms energy: -704.067299 where: bonds (distance) C4'-P energy: -159.714 bonds (distance) P-C4' energy: -138.051 flat angles C4'-P-C4' energy: -153.051 flat angles P-C4'-P energy: -110.771 tors. eta vs tors. theta energy: -142.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1689.979535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.979535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.979535 (E_RNA) where: Base-Base interactions energy: -1074.426 where: short stacking energy: -500.578 Base-Backbone interact. energy: -2.116 local terms energy: -613.438271 where: bonds (distance) C4'-P energy: -154.462 bonds (distance) P-C4' energy: -126.619 flat angles C4'-P-C4' energy: -134.600 flat angles P-C4'-P energy: -87.551 tors. eta vs tors. theta energy: -110.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1332.650534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.650534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.650534 (E_RNA) where: Base-Base interactions energy: -798.493 where: short stacking energy: -413.266 Base-Backbone interact. energy: 2.576 local terms energy: -536.734208 where: bonds (distance) C4'-P energy: -134.233 bonds (distance) P-C4' energy: -154.481 flat angles C4'-P-C4' energy: -122.559 flat angles P-C4'-P energy: -89.761 tors. eta vs tors. theta energy: -35.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1042.881819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.881819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.881819 (E_RNA) where: Base-Base interactions energy: -567.042 where: short stacking energy: -279.801 Base-Backbone interact. energy: -3.702 local terms energy: -472.137512 where: bonds (distance) C4'-P energy: -132.286 bonds (distance) P-C4' energy: -149.763 flat angles C4'-P-C4' energy: -122.880 flat angles P-C4'-P energy: -67.150 tors. eta vs tors. theta energy: -0.058 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: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2971.624424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.624424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.624424 (E_RNA) where: Base-Base interactions energy: -2081.753 where: short stacking energy: -878.455 Base-Backbone interact. energy: -0.618 local terms energy: -889.253660 where: bonds (distance) C4'-P energy: -162.865 bonds (distance) P-C4' energy: -188.021 flat angles C4'-P-C4' energy: -186.686 flat angles P-C4'-P energy: -122.074 tors. eta vs tors. theta energy: -229.608 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: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2839.787680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.787680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.787680 (E_RNA) where: Base-Base interactions energy: -1960.121 where: short stacking energy: -835.407 Base-Backbone interact. energy: -3.574 local terms energy: -876.092516 where: bonds (distance) C4'-P energy: -173.546 bonds (distance) P-C4' energy: -161.309 flat angles C4'-P-C4' energy: -193.679 flat angles P-C4'-P energy: -113.581 tors. eta vs tors. theta energy: -233.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2764.538979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.538979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.538979 (E_RNA) where: Base-Base interactions energy: -1921.418 where: short stacking energy: -858.899 Base-Backbone interact. energy: -0.720 local terms energy: -842.401332 where: bonds (distance) C4'-P energy: -149.223 bonds (distance) P-C4' energy: -149.241 flat angles C4'-P-C4' energy: -181.065 flat angles P-C4'-P energy: -121.059 tors. eta vs tors. theta energy: -241.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2614.214503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.214503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.214503 (E_RNA) where: Base-Base interactions energy: -1781.612 where: short stacking energy: -786.220 Base-Backbone interact. energy: -0.677 local terms energy: -831.924781 where: bonds (distance) C4'-P energy: -141.333 bonds (distance) P-C4' energy: -150.639 flat angles C4'-P-C4' energy: -186.900 flat angles P-C4'-P energy: -126.814 tors. eta vs tors. theta energy: -226.238 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: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2492.600838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.600838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.600838 (E_RNA) where: Base-Base interactions energy: -1706.497 where: short stacking energy: -712.522 Base-Backbone interact. energy: -1.132 local terms energy: -784.971690 where: bonds (distance) C4'-P energy: -144.449 bonds (distance) P-C4' energy: -162.955 flat angles C4'-P-C4' energy: -184.163 flat angles P-C4'-P energy: -102.967 tors. eta vs tors. theta energy: -190.437 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: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2302.541317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.541317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.541317 (E_RNA) where: Base-Base interactions energy: -1590.238 where: short stacking energy: -677.158 Base-Backbone interact. energy: -2.337 local terms energy: -709.965879 where: bonds (distance) C4'-P energy: -152.888 bonds (distance) P-C4' energy: -138.008 flat angles C4'-P-C4' energy: -156.794 flat angles P-C4'-P energy: -99.350 tors. eta vs tors. theta energy: -162.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2032.109401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.109401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.109401 (E_RNA) where: Base-Base interactions energy: -1386.383 where: short stacking energy: -607.258 Base-Backbone interact. energy: -1.908 local terms energy: -643.818333 where: bonds (distance) C4'-P energy: -112.809 bonds (distance) P-C4' energy: -156.311 flat angles C4'-P-C4' energy: -153.028 flat angles P-C4'-P energy: -93.508 tors. eta vs tors. theta energy: -128.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1729.398513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.398513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.398513 (E_RNA) where: Base-Base interactions energy: -1097.152 where: short stacking energy: -470.550 Base-Backbone interact. energy: -1.449 local terms energy: -630.797977 where: bonds (distance) C4'-P energy: -154.020 bonds (distance) P-C4' energy: -151.621 flat angles C4'-P-C4' energy: -131.803 flat angles P-C4'-P energy: -85.062 tors. eta vs tors. theta energy: -108.291 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: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1380.270835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.270835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.270835 (E_RNA) where: Base-Base interactions energy: -846.193 where: short stacking energy: -368.868 Base-Backbone interact. energy: -0.128 local terms energy: -533.949912 where: bonds (distance) C4'-P energy: -146.408 bonds (distance) P-C4' energy: -146.528 flat angles C4'-P-C4' energy: -129.983 flat angles P-C4'-P energy: -89.239 tors. eta vs tors. theta energy: -21.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1049.073535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.073535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.073535 (E_RNA) where: Base-Base interactions energy: -599.301 where: short stacking energy: -320.991 Base-Backbone interact. energy: 9.523 local terms energy: -459.295746 where: bonds (distance) C4'-P energy: -121.328 bonds (distance) P-C4' energy: -145.480 flat angles C4'-P-C4' energy: -111.319 flat angles P-C4'-P energy: -74.438 tors. eta vs tors. theta energy: -6.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2976.426959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.426959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.426959 (E_RNA) where: Base-Base interactions energy: -2099.549 where: short stacking energy: -873.443 Base-Backbone interact. energy: -5.231 local terms energy: -871.647316 where: bonds (distance) C4'-P energy: -174.969 bonds (distance) P-C4' energy: -172.730 flat angles C4'-P-C4' energy: -180.329 flat angles P-C4'-P energy: -104.081 tors. eta vs tors. theta energy: -239.538 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: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2845.445199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.445199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.445199 (E_RNA) where: Base-Base interactions energy: -1962.812 where: short stacking energy: -825.789 Base-Backbone interact. energy: -0.690 local terms energy: -881.943787 where: bonds (distance) C4'-P energy: -150.708 bonds (distance) P-C4' energy: -171.857 flat angles C4'-P-C4' energy: -197.165 flat angles P-C4'-P energy: -131.575 tors. eta vs tors. theta energy: -230.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2763.501184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.501184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.501184 (E_RNA) where: Base-Base interactions energy: -1892.724 where: short stacking energy: -853.170 Base-Backbone interact. energy: -0.385 local terms energy: -870.391453 where: bonds (distance) C4'-P energy: -153.322 bonds (distance) P-C4' energy: -153.295 flat angles C4'-P-C4' energy: -200.988 flat angles P-C4'-P energy: -115.226 tors. eta vs tors. theta energy: -247.561 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: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2588.604802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.604802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.604802 (E_RNA) where: Base-Base interactions energy: -1787.110 where: short stacking energy: -764.302 Base-Backbone interact. energy: 3.197 local terms energy: -804.691641 where: bonds (distance) C4'-P energy: -157.249 bonds (distance) P-C4' energy: -152.348 flat angles C4'-P-C4' energy: -174.344 flat angles P-C4'-P energy: -112.319 tors. eta vs tors. theta energy: -208.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2475.374514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.374514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.374514 (E_RNA) where: Base-Base interactions energy: -1719.328 where: short stacking energy: -726.218 Base-Backbone interact. energy: -3.680 local terms energy: -752.366984 where: bonds (distance) C4'-P energy: -134.369 bonds (distance) P-C4' energy: -154.111 flat angles C4'-P-C4' energy: -163.356 flat angles P-C4'-P energy: -110.836 tors. eta vs tors. theta energy: -189.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2284.171443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.171443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.171443 (E_RNA) where: Base-Base interactions energy: -1576.966 where: short stacking energy: -680.835 Base-Backbone interact. energy: -2.516 local terms energy: -704.689208 where: bonds (distance) C4'-P energy: -129.334 bonds (distance) P-C4' energy: -132.405 flat angles C4'-P-C4' energy: -166.375 flat angles P-C4'-P energy: -113.797 tors. eta vs tors. theta energy: -162.778 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: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2044.996045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.996045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.996045 (E_RNA) where: Base-Base interactions energy: -1373.519 where: short stacking energy: -570.504 Base-Backbone interact. energy: 0.263 local terms energy: -671.740404 where: bonds (distance) C4'-P energy: -144.824 bonds (distance) P-C4' energy: -149.693 flat angles C4'-P-C4' energy: -150.259 flat angles P-C4'-P energy: -84.636 tors. eta vs tors. theta energy: -142.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1668.686086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.686086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.686086 (E_RNA) where: Base-Base interactions energy: -1087.198 where: short stacking energy: -514.641 Base-Backbone interact. energy: -1.848 local terms energy: -579.640109 where: bonds (distance) C4'-P energy: -142.003 bonds (distance) P-C4' energy: -130.518 flat angles C4'-P-C4' energy: -124.479 flat angles P-C4'-P energy: -85.370 tors. eta vs tors. theta energy: -97.271 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: 4 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1458.663714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.663714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.663714 (E_RNA) where: Base-Base interactions energy: -950.966 where: short stacking energy: -433.882 Base-Backbone interact. energy: 5.454 local terms energy: -513.151084 where: bonds (distance) C4'-P energy: -127.905 bonds (distance) P-C4' energy: -130.301 flat angles C4'-P-C4' energy: -113.912 flat angles P-C4'-P energy: -76.442 tors. eta vs tors. theta energy: -64.591 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: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -914.359575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.359575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.359575 (E_RNA) where: Base-Base interactions energy: -497.722 where: short stacking energy: -251.126 Base-Backbone interact. energy: 0.472 local terms energy: -417.109568 where: bonds (distance) C4'-P energy: -130.359 bonds (distance) P-C4' energy: -132.198 flat angles C4'-P-C4' energy: -112.587 flat angles P-C4'-P energy: -40.340 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2976.289706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.289706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.289706 (E_RNA) where: Base-Base interactions energy: -2080.636 where: short stacking energy: -874.127 Base-Backbone interact. energy: 1.928 local terms energy: -897.581039 where: bonds (distance) C4'-P energy: -178.902 bonds (distance) P-C4' energy: -164.339 flat angles C4'-P-C4' energy: -184.658 flat angles P-C4'-P energy: -130.098 tors. eta vs tors. theta energy: -239.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2819.630212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.630212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.630212 (E_RNA) where: Base-Base interactions energy: -1971.729 where: short stacking energy: -823.959 Base-Backbone interact. energy: -1.196 local terms energy: -846.705109 where: bonds (distance) C4'-P energy: -167.711 bonds (distance) P-C4' energy: -158.478 flat angles C4'-P-C4' energy: -181.623 flat angles P-C4'-P energy: -120.914 tors. eta vs tors. theta energy: -217.979 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: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2739.861053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.861053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.861053 (E_RNA) where: Base-Base interactions energy: -1901.753 where: short stacking energy: -844.276 Base-Backbone interact. energy: -2.858 local terms energy: -835.249868 where: bonds (distance) C4'-P energy: -154.692 bonds (distance) P-C4' energy: -150.595 flat angles C4'-P-C4' energy: -183.436 flat angles P-C4'-P energy: -112.492 tors. eta vs tors. theta energy: -234.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2608.902391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.902391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.902391 (E_RNA) where: Base-Base interactions energy: -1789.608 where: short stacking energy: -806.459 Base-Backbone interact. energy: -2.302 local terms energy: -816.992421 where: bonds (distance) C4'-P energy: -154.952 bonds (distance) P-C4' energy: -179.180 flat angles C4'-P-C4' energy: -172.824 flat angles P-C4'-P energy: -109.929 tors. eta vs tors. theta energy: -200.108 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: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2526.245363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.245363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.245363 (E_RNA) where: Base-Base interactions energy: -1729.377 where: short stacking energy: -725.422 Base-Backbone interact. energy: 1.868 local terms energy: -798.736239 where: bonds (distance) C4'-P energy: -159.595 bonds (distance) P-C4' energy: -154.411 flat angles C4'-P-C4' energy: -171.736 flat angles P-C4'-P energy: -115.409 tors. eta vs tors. theta energy: -197.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2262.281349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.281349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.281349 (E_RNA) where: Base-Base interactions energy: -1570.555 where: short stacking energy: -678.999 Base-Backbone interact. energy: -1.235 local terms energy: -690.491439 where: bonds (distance) C4'-P energy: -145.884 bonds (distance) P-C4' energy: -156.055 flat angles C4'-P-C4' energy: -154.587 flat angles P-C4'-P energy: -83.412 tors. eta vs tors. theta energy: -150.553 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: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2087.179755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.179755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.179755 (E_RNA) where: Base-Base interactions energy: -1442.500 where: short stacking energy: -632.971 Base-Backbone interact. energy: -1.856 local terms energy: -642.824129 where: bonds (distance) C4'-P energy: -122.874 bonds (distance) P-C4' energy: -128.536 flat angles C4'-P-C4' energy: -152.415 flat angles P-C4'-P energy: -95.982 tors. eta vs tors. theta energy: -143.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1691.022495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.022495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.022495 (E_RNA) where: Base-Base interactions energy: -1052.410 where: short stacking energy: -446.279 Base-Backbone interact. energy: -0.480 local terms energy: -638.132221 where: bonds (distance) C4'-P energy: -156.414 bonds (distance) P-C4' energy: -148.225 flat angles C4'-P-C4' energy: -138.267 flat angles P-C4'-P energy: -111.974 tors. eta vs tors. theta energy: -83.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1453.061402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.061402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.061402 (E_RNA) where: Base-Base interactions energy: -912.399 where: short stacking energy: -425.366 Base-Backbone interact. energy: 2.768 local terms energy: -543.430167 where: bonds (distance) C4'-P energy: -133.540 bonds (distance) P-C4' energy: -127.285 flat angles C4'-P-C4' energy: -131.444 flat angles P-C4'-P energy: -84.046 tors. eta vs tors. theta energy: -67.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -989.209443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.209443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.209443 (E_RNA) where: Base-Base interactions energy: -549.424 where: short stacking energy: -271.831 Base-Backbone interact. energy: 1.417 local terms energy: -441.202612 where: bonds (distance) C4'-P energy: -122.270 bonds (distance) P-C4' energy: -158.931 flat angles C4'-P-C4' energy: -106.798 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2976.657757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.657757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.657757 (E_RNA) where: Base-Base interactions energy: -2096.044 where: short stacking energy: -849.792 Base-Backbone interact. energy: -6.438 local terms energy: -874.176145 where: bonds (distance) C4'-P energy: -156.907 bonds (distance) P-C4' energy: -175.319 flat angles C4'-P-C4' energy: -188.126 flat angles P-C4'-P energy: -125.570 tors. eta vs tors. theta energy: -228.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2884.628316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.628316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.628316 (E_RNA) where: Base-Base interactions energy: -2037.268 where: short stacking energy: -869.892 Base-Backbone interact. energy: -4.756 local terms energy: -842.604561 where: bonds (distance) C4'-P energy: -149.714 bonds (distance) P-C4' energy: -163.282 flat angles C4'-P-C4' energy: -181.643 flat angles P-C4'-P energy: -126.500 tors. eta vs tors. theta energy: -221.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2750.131135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.131135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.131135 (E_RNA) where: Base-Base interactions energy: -1888.263 where: short stacking energy: -828.853 Base-Backbone interact. energy: -2.675 local terms energy: -859.192444 where: bonds (distance) C4'-P energy: -172.382 bonds (distance) P-C4' energy: -149.291 flat angles C4'-P-C4' energy: -177.261 flat angles P-C4'-P energy: -114.875 tors. eta vs tors. theta energy: -245.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2638.003550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.003550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.003550 (E_RNA) where: Base-Base interactions energy: -1802.236 where: short stacking energy: -808.698 Base-Backbone interact. energy: 0.957 local terms energy: -836.725198 where: bonds (distance) C4'-P energy: -150.107 bonds (distance) P-C4' energy: -150.115 flat angles C4'-P-C4' energy: -186.722 flat angles P-C4'-P energy: -127.492 tors. eta vs tors. theta energy: -222.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2510.725378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.725378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.725378 (E_RNA) where: Base-Base interactions energy: -1744.877 where: short stacking energy: -730.978 Base-Backbone interact. energy: -1.495 local terms energy: -764.352901 where: bonds (distance) C4'-P energy: -147.084 bonds (distance) P-C4' energy: -137.982 flat angles C4'-P-C4' energy: -157.597 flat angles P-C4'-P energy: -113.501 tors. eta vs tors. theta energy: -208.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2320.145034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.145034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.145034 (E_RNA) where: Base-Base interactions energy: -1569.262 where: short stacking energy: -681.767 Base-Backbone interact. energy: 2.832 local terms energy: -753.714276 where: bonds (distance) C4'-P energy: -165.430 bonds (distance) P-C4' energy: -144.674 flat angles C4'-P-C4' energy: -162.384 flat angles P-C4'-P energy: -104.680 tors. eta vs tors. theta energy: -176.547 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: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2049.286846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.286846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.286846 (E_RNA) where: Base-Base interactions energy: -1395.616 where: short stacking energy: -634.180 Base-Backbone interact. energy: -1.266 local terms energy: -652.404551 where: bonds (distance) C4'-P energy: -129.918 bonds (distance) P-C4' energy: -137.643 flat angles C4'-P-C4' energy: -142.930 flat angles P-C4'-P energy: -83.989 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: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1698.493943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.493943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.493943 (E_RNA) where: Base-Base interactions energy: -1116.968 where: short stacking energy: -491.376 Base-Backbone interact. energy: 2.624 local terms energy: -584.149739 where: bonds (distance) C4'-P energy: -134.754 bonds (distance) P-C4' energy: -152.849 flat angles C4'-P-C4' energy: -140.335 flat angles P-C4'-P energy: -66.625 tors. eta vs tors. theta energy: -89.587 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: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1440.415346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.415346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.415346 (E_RNA) where: Base-Base interactions energy: -874.671 where: short stacking energy: -408.622 Base-Backbone interact. energy: 0.262 local terms energy: -566.006209 where: bonds (distance) C4'-P energy: -121.830 bonds (distance) P-C4' energy: -171.032 flat angles C4'-P-C4' energy: -131.430 flat angles P-C4'-P energy: -83.820 tors. eta vs tors. theta energy: -57.895 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: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1038.196455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.196455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.196455 (E_RNA) where: Base-Base interactions energy: -584.102 where: short stacking energy: -290.384 Base-Backbone interact. energy: 1.711 local terms energy: -455.806056 where: bonds (distance) C4'-P energy: -135.009 bonds (distance) P-C4' energy: -116.845 flat angles C4'-P-C4' energy: -119.761 flat angles P-C4'-P energy: -74.483 tors. eta vs tors. theta energy: -9.708 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: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2985.552252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.552252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.552252 (E_RNA) where: Base-Base interactions energy: -2084.575 where: short stacking energy: -882.053 Base-Backbone interact. energy: -5.598 local terms energy: -895.378744 where: bonds (distance) C4'-P energy: -159.349 bonds (distance) P-C4' energy: -174.458 flat angles C4'-P-C4' energy: -184.809 flat angles P-C4'-P energy: -141.220 tors. eta vs tors. theta energy: -235.542 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: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2863.196061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.196061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.196061 (E_RNA) where: Base-Base interactions energy: -1998.656 where: short stacking energy: -831.880 Base-Backbone interact. energy: -3.140 local terms energy: -861.400786 where: bonds (distance) C4'-P energy: -154.542 bonds (distance) P-C4' energy: -159.733 flat angles C4'-P-C4' energy: -189.139 flat angles P-C4'-P energy: -122.003 tors. eta vs tors. theta energy: -235.983 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: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2764.125578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.125578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.125578 (E_RNA) where: Base-Base interactions energy: -1894.042 where: short stacking energy: -814.994 Base-Backbone interact. energy: 0.087 local terms energy: -870.170436 where: bonds (distance) C4'-P energy: -167.083 bonds (distance) P-C4' energy: -167.583 flat angles C4'-P-C4' energy: -184.819 flat angles P-C4'-P energy: -125.007 tors. eta vs tors. theta energy: -225.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2634.570054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.570054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.570054 (E_RNA) where: Base-Base interactions energy: -1806.157 where: short stacking energy: -803.851 Base-Backbone interact. energy: 3.013 local terms energy: -831.425641 where: bonds (distance) C4'-P energy: -140.419 bonds (distance) P-C4' energy: -153.441 flat angles C4'-P-C4' energy: -176.641 flat angles P-C4'-P energy: -123.906 tors. eta vs tors. theta energy: -237.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2404.661260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.661260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.661260 (E_RNA) where: Base-Base interactions energy: -1664.920 where: short stacking energy: -727.132 Base-Backbone interact. energy: -0.196 local terms energy: -739.545703 where: bonds (distance) C4'-P energy: -135.943 bonds (distance) P-C4' energy: -148.148 flat angles C4'-P-C4' energy: -164.365 flat angles P-C4'-P energy: -109.458 tors. eta vs tors. theta energy: -181.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2339.169202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.169202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.169202 (E_RNA) where: Base-Base interactions energy: -1571.033 where: short stacking energy: -690.670 Base-Backbone interact. energy: -0.852 local terms energy: -767.284386 where: bonds (distance) C4'-P energy: -130.664 bonds (distance) P-C4' energy: -147.493 flat angles C4'-P-C4' energy: -181.498 flat angles P-C4'-P energy: -111.456 tors. eta vs tors. theta energy: -196.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2065.491674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.491674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.491674 (E_RNA) where: Base-Base interactions energy: -1411.778 where: short stacking energy: -631.328 Base-Backbone interact. energy: -7.232 local terms energy: -646.482300 where: bonds (distance) C4'-P energy: -123.597 bonds (distance) P-C4' energy: -130.472 flat angles C4'-P-C4' energy: -162.212 flat angles P-C4'-P energy: -87.035 tors. eta vs tors. theta energy: -143.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1637.107671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.107671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.107671 (E_RNA) where: Base-Base interactions energy: -1066.606 where: short stacking energy: -487.982 Base-Backbone interact. energy: 4.423 local terms energy: -574.924767 where: bonds (distance) C4'-P energy: -140.312 bonds (distance) P-C4' energy: -136.673 flat angles C4'-P-C4' energy: -139.773 flat angles P-C4'-P energy: -66.496 tors. eta vs tors. theta energy: -91.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1480.731049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.731049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.731049 (E_RNA) where: Base-Base interactions energy: -950.074 where: short stacking energy: -454.865 Base-Backbone interact. energy: -4.218 local terms energy: -526.438529 where: bonds (distance) C4'-P energy: -133.925 bonds (distance) P-C4' energy: -154.972 flat angles C4'-P-C4' energy: -123.991 flat angles P-C4'-P energy: -58.404 tors. eta vs tors. theta energy: -55.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1110.403229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.403229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.403229 (E_RNA) where: Base-Base interactions energy: -664.478 where: short stacking energy: -332.802 Base-Backbone interact. energy: 0.431 local terms energy: -446.356197 where: bonds (distance) C4'-P energy: -112.844 bonds (distance) P-C4' energy: -130.026 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -60.615 tors. eta vs tors. theta energy: -30.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3010.657992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.657992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.657992 (E_RNA) where: Base-Base interactions energy: -2116.624 where: short stacking energy: -877.422 Base-Backbone interact. energy: -3.211 local terms energy: -890.822606 where: bonds (distance) C4'-P energy: -161.674 bonds (distance) P-C4' energy: -168.211 flat angles C4'-P-C4' energy: -192.003 flat angles P-C4'-P energy: -127.590 tors. eta vs tors. theta energy: -241.344 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: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2829.246233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.246233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.246233 (E_RNA) where: Base-Base interactions energy: -1993.939 where: short stacking energy: -834.150 Base-Backbone interact. energy: -2.603 local terms energy: -832.705057 where: bonds (distance) C4'-P energy: -146.452 bonds (distance) P-C4' energy: -161.803 flat angles C4'-P-C4' energy: -192.003 flat angles P-C4'-P energy: -114.246 tors. eta vs tors. theta energy: -218.201 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: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2721.336623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.336623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.336623 (E_RNA) where: Base-Base interactions energy: -1885.799 where: short stacking energy: -840.784 Base-Backbone interact. energy: -2.653 local terms energy: -832.883851 where: bonds (distance) C4'-P energy: -148.636 bonds (distance) P-C4' energy: -149.572 flat angles C4'-P-C4' energy: -188.574 flat angles P-C4'-P energy: -115.723 tors. eta vs tors. theta energy: -230.378 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: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2577.162882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.162882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.162882 (E_RNA) where: Base-Base interactions energy: -1737.368 where: short stacking energy: -755.392 Base-Backbone interact. energy: -4.220 local terms energy: -835.574405 where: bonds (distance) C4'-P energy: -157.436 bonds (distance) P-C4' energy: -163.241 flat angles C4'-P-C4' energy: -179.705 flat angles P-C4'-P energy: -116.098 tors. eta vs tors. theta energy: -219.094 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: 242 Temperature: 1.100000 Total energy: -2452.547709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.547709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.547709 (E_RNA) where: Base-Base interactions energy: -1670.224 where: short stacking energy: -703.473 Base-Backbone interact. energy: -5.770 local terms energy: -776.553834 where: bonds (distance) C4'-P energy: -151.650 bonds (distance) P-C4' energy: -152.383 flat angles C4'-P-C4' energy: -168.932 flat angles P-C4'-P energy: -108.460 tors. eta vs tors. theta energy: -195.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2371.170248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.170248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.170248 (E_RNA) where: Base-Base interactions energy: -1624.435 where: short stacking energy: -687.652 Base-Backbone interact. energy: 0.139 local terms energy: -746.874669 where: bonds (distance) C4'-P energy: -144.845 bonds (distance) P-C4' energy: -156.968 flat angles C4'-P-C4' energy: -169.563 flat angles P-C4'-P energy: -104.245 tors. eta vs tors. theta energy: -171.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2055.985013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.985013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.985013 (E_RNA) where: Base-Base interactions energy: -1392.532 where: short stacking energy: -618.667 Base-Backbone interact. energy: -4.511 local terms energy: -658.941788 where: bonds (distance) C4'-P energy: -127.078 bonds (distance) P-C4' energy: -144.083 flat angles C4'-P-C4' energy: -145.321 flat angles P-C4'-P energy: -92.298 tors. eta vs tors. theta energy: -150.161 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: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1665.472416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.472416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.472416 (E_RNA) where: Base-Base interactions energy: -1117.375 where: short stacking energy: -517.255 Base-Backbone interact. energy: -0.349 local terms energy: -547.748154 where: bonds (distance) C4'-P energy: -110.758 bonds (distance) P-C4' energy: -130.268 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -85.095 tors. eta vs tors. theta energy: -89.552 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: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1462.535630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.535630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.535630 (E_RNA) where: Base-Base interactions energy: -901.782 where: short stacking energy: -423.987 Base-Backbone interact. energy: -0.293 local terms energy: -560.460680 where: bonds (distance) C4'-P energy: -146.592 bonds (distance) P-C4' energy: -141.642 flat angles C4'-P-C4' energy: -140.689 flat angles P-C4'-P energy: -72.481 tors. eta vs tors. theta energy: -59.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -999.950567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.950567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.950567 (E_RNA) where: Base-Base interactions energy: -530.197 where: short stacking energy: -279.316 Base-Backbone interact. energy: 2.613 local terms energy: -472.365930 where: bonds (distance) C4'-P energy: -143.879 bonds (distance) P-C4' energy: -126.476 flat angles C4'-P-C4' energy: -136.837 flat angles P-C4'-P energy: -66.488 tors. eta vs tors. theta energy: 1.314 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: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2970.294092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.294092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.294092 (E_RNA) where: Base-Base interactions energy: -2049.619 where: short stacking energy: -870.600 Base-Backbone interact. energy: -6.606 local terms energy: -914.068912 where: bonds (distance) C4'-P energy: -172.397 bonds (distance) P-C4' energy: -177.808 flat angles C4'-P-C4' energy: -196.456 flat angles P-C4'-P energy: -129.761 tors. eta vs tors. theta energy: -237.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2853.233571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.233571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.233571 (E_RNA) where: Base-Base interactions energy: -1974.154 where: short stacking energy: -792.906 Base-Backbone interact. energy: -3.966 local terms energy: -875.113644 where: bonds (distance) C4'-P energy: -166.663 bonds (distance) P-C4' energy: -181.508 flat angles C4'-P-C4' energy: -187.066 flat angles P-C4'-P energy: -127.819 tors. eta vs tors. theta energy: -212.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2767.823466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.823466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.823466 (E_RNA) where: Base-Base interactions energy: -1924.231 where: short stacking energy: -852.850 Base-Backbone interact. energy: -1.174 local terms energy: -842.418514 where: bonds (distance) C4'-P energy: -158.404 bonds (distance) P-C4' energy: -155.696 flat angles C4'-P-C4' energy: -169.296 flat angles P-C4'-P energy: -116.481 tors. eta vs tors. theta energy: -242.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2554.408097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.408097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.408097 (E_RNA) where: Base-Base interactions energy: -1737.622 where: short stacking energy: -796.839 Base-Backbone interact. energy: -2.055 local terms energy: -814.730996 where: bonds (distance) C4'-P energy: -139.280 bonds (distance) P-C4' energy: -161.108 flat angles C4'-P-C4' energy: -174.976 flat angles P-C4'-P energy: -111.673 tors. eta vs tors. theta energy: -227.695 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: 243 Temperature: 1.100000 Total energy: -2486.287831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.287831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.287831 (E_RNA) where: Base-Base interactions energy: -1735.958 where: short stacking energy: -754.809 Base-Backbone interact. energy: -0.225 local terms energy: -750.104775 where: bonds (distance) C4'-P energy: -152.793 bonds (distance) P-C4' energy: -128.770 flat angles C4'-P-C4' energy: -177.350 flat angles P-C4'-P energy: -107.442 tors. eta vs tors. theta energy: -183.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2339.269048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.269048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.269048 (E_RNA) where: Base-Base interactions energy: -1595.857 where: short stacking energy: -686.061 Base-Backbone interact. energy: -7.153 local terms energy: -736.259372 where: bonds (distance) C4'-P energy: -140.751 bonds (distance) P-C4' energy: -154.657 flat angles C4'-P-C4' energy: -155.280 flat angles P-C4'-P energy: -105.678 tors. eta vs tors. theta energy: -179.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2127.249919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.249919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.249919 (E_RNA) where: Base-Base interactions energy: -1464.045 where: short stacking energy: -628.160 Base-Backbone interact. energy: -3.137 local terms energy: -660.067646 where: bonds (distance) C4'-P energy: -125.911 bonds (distance) P-C4' energy: -152.506 flat angles C4'-P-C4' energy: -148.156 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -139.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1720.792075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.792075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.792075 (E_RNA) where: Base-Base interactions energy: -1114.511 where: short stacking energy: -506.625 Base-Backbone interact. energy: -1.655 local terms energy: -604.626441 where: bonds (distance) C4'-P energy: -149.732 bonds (distance) P-C4' energy: -128.379 flat angles C4'-P-C4' energy: -145.419 flat angles P-C4'-P energy: -90.425 tors. eta vs tors. theta energy: -90.672 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: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1484.318219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.318219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.318219 (E_RNA) where: Base-Base interactions energy: -945.224 where: short stacking energy: -444.024 Base-Backbone interact. energy: -1.399 local terms energy: -537.695330 where: bonds (distance) C4'-P energy: -119.860 bonds (distance) P-C4' energy: -117.656 flat angles C4'-P-C4' energy: -139.700 flat angles P-C4'-P energy: -65.378 tors. eta vs tors. theta energy: -95.101 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: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -892.126902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.126902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.126902 (E_RNA) where: Base-Base interactions energy: -417.958 where: short stacking energy: -236.684 Base-Backbone interact. energy: 0.825 local terms energy: -474.993964 where: bonds (distance) C4'-P energy: -139.619 bonds (distance) P-C4' energy: -133.663 flat angles C4'-P-C4' energy: -129.141 flat angles P-C4'-P energy: -71.551 tors. eta vs tors. theta energy: -1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2980.810527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.810527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.810527 (E_RNA) where: Base-Base interactions energy: -2082.270 where: short stacking energy: -885.753 Base-Backbone interact. energy: -5.931 local terms energy: -892.609454 where: bonds (distance) C4'-P energy: -157.947 bonds (distance) P-C4' energy: -164.489 flat angles C4'-P-C4' energy: -197.100 flat angles P-C4'-P energy: -129.159 tors. eta vs tors. theta energy: -243.915 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: 6 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2842.699354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.699354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.699354 (E_RNA) where: Base-Base interactions energy: -2031.439 where: short stacking energy: -834.976 Base-Backbone interact. energy: -3.501 local terms energy: -807.759220 where: bonds (distance) C4'-P energy: -147.551 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -171.845 flat angles P-C4'-P energy: -107.804 tors. eta vs tors. theta energy: -225.997 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: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2755.923883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.923883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.923883 (E_RNA) where: Base-Base interactions energy: -1918.732 where: short stacking energy: -826.736 Base-Backbone interact. energy: 1.696 local terms energy: -838.887604 where: bonds (distance) C4'-P energy: -141.307 bonds (distance) P-C4' energy: -166.075 flat angles C4'-P-C4' energy: -185.980 flat angles P-C4'-P energy: -115.932 tors. eta vs tors. theta energy: -229.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2590.788189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.788189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.788189 (E_RNA) where: Base-Base interactions energy: -1764.542 where: short stacking energy: -795.532 Base-Backbone interact. energy: -4.782 local terms energy: -821.464442 where: bonds (distance) C4'-P energy: -149.276 bonds (distance) P-C4' energy: -164.650 flat angles C4'-P-C4' energy: -185.787 flat angles P-C4'-P energy: -110.566 tors. eta vs tors. theta energy: -211.185 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: 244 Temperature: 1.100000 Total energy: -2455.905888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.905888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.905888 (E_RNA) where: Base-Base interactions energy: -1677.276 where: short stacking energy: -707.463 Base-Backbone interact. energy: -0.900 local terms energy: -777.729927 where: bonds (distance) C4'-P energy: -142.133 bonds (distance) P-C4' energy: -147.349 flat angles C4'-P-C4' energy: -180.530 flat angles P-C4'-P energy: -117.525 tors. eta vs tors. theta energy: -190.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2372.400914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.400914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.400914 (E_RNA) where: Base-Base interactions energy: -1599.823 where: short stacking energy: -707.901 Base-Backbone interact. energy: -1.468 local terms energy: -771.109979 where: bonds (distance) C4'-P energy: -138.058 bonds (distance) P-C4' energy: -167.916 flat angles C4'-P-C4' energy: -155.692 flat angles P-C4'-P energy: -120.465 tors. eta vs tors. theta energy: -188.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2094.485387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.485387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.485387 (E_RNA) where: Base-Base interactions energy: -1425.783 where: short stacking energy: -614.539 Base-Backbone interact. energy: -0.167 local terms energy: -668.535667 where: bonds (distance) C4'-P energy: -120.209 bonds (distance) P-C4' energy: -138.397 flat angles C4'-P-C4' energy: -162.589 flat angles P-C4'-P energy: -96.106 tors. eta vs tors. theta energy: -151.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1756.707759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.707759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.707759 (E_RNA) where: Base-Base interactions energy: -1161.394 where: short stacking energy: -517.283 Base-Backbone interact. energy: 4.386 local terms energy: -599.699676 where: bonds (distance) C4'-P energy: -133.287 bonds (distance) P-C4' energy: -150.671 flat angles C4'-P-C4' energy: -131.082 flat angles P-C4'-P energy: -79.410 tors. eta vs tors. theta energy: -105.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1418.022334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.022334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.022334 (E_RNA) where: Base-Base interactions energy: -895.738 where: short stacking energy: -440.254 Base-Backbone interact. energy: 0.639 local terms energy: -522.923323 where: bonds (distance) C4'-P energy: -119.809 bonds (distance) P-C4' energy: -132.535 flat angles C4'-P-C4' energy: -132.996 flat angles P-C4'-P energy: -62.849 tors. eta vs tors. theta energy: -74.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -985.570481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.570481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.570481 (E_RNA) where: Base-Base interactions energy: -551.922 where: short stacking energy: -287.744 Base-Backbone interact. energy: 1.148 local terms energy: -434.796305 where: bonds (distance) C4'-P energy: -124.618 bonds (distance) P-C4' energy: -131.533 flat angles C4'-P-C4' energy: -120.606 flat angles P-C4'-P energy: -67.514 tors. eta vs tors. theta energy: 9.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2966.070597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.070597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.070597 (E_RNA) where: Base-Base interactions energy: -2065.240 where: short stacking energy: -861.560 Base-Backbone interact. energy: -7.868 local terms energy: -892.962058 where: bonds (distance) C4'-P energy: -165.874 bonds (distance) P-C4' energy: -173.437 flat angles C4'-P-C4' energy: -193.373 flat angles P-C4'-P energy: -126.392 tors. eta vs tors. theta energy: -233.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2870.838174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.838174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.838174 (E_RNA) where: Base-Base interactions energy: -2007.403 where: short stacking energy: -848.427 Base-Backbone interact. energy: -3.914 local terms energy: -859.521426 where: bonds (distance) C4'-P energy: -171.246 bonds (distance) P-C4' energy: -166.271 flat angles C4'-P-C4' energy: -173.400 flat angles P-C4'-P energy: -124.600 tors. eta vs tors. theta energy: -224.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2756.797271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.797271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.797271 (E_RNA) where: Base-Base interactions energy: -1901.582 where: short stacking energy: -814.939 Base-Backbone interact. energy: -3.100 local terms energy: -852.115277 where: bonds (distance) C4'-P energy: -150.680 bonds (distance) P-C4' energy: -156.877 flat angles C4'-P-C4' energy: -183.689 flat angles P-C4'-P energy: -117.530 tors. eta vs tors. theta energy: -243.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2571.398700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.398700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.398700 (E_RNA) where: Base-Base interactions energy: -1731.926 where: short stacking energy: -766.755 Base-Backbone interact. energy: -3.521 local terms energy: -835.951863 where: bonds (distance) C4'-P energy: -167.860 bonds (distance) P-C4' energy: -165.903 flat angles C4'-P-C4' energy: -175.583 flat angles P-C4'-P energy: -127.262 tors. eta vs tors. theta energy: -199.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2442.482838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.482838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.482838 (E_RNA) where: Base-Base interactions energy: -1659.838 where: short stacking energy: -709.205 Base-Backbone interact. energy: -1.121 local terms energy: -781.523470 where: bonds (distance) C4'-P energy: -154.780 bonds (distance) P-C4' energy: -149.147 flat angles C4'-P-C4' energy: -180.936 flat angles P-C4'-P energy: -116.046 tors. eta vs tors. theta energy: -180.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2309.472621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.472621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.472621 (E_RNA) where: Base-Base interactions energy: -1577.316 where: short stacking energy: -696.989 Base-Backbone interact. energy: -2.004 local terms energy: -730.152296 where: bonds (distance) C4'-P energy: -146.829 bonds (distance) P-C4' energy: -134.165 flat angles C4'-P-C4' energy: -167.461 flat angles P-C4'-P energy: -95.170 tors. eta vs tors. theta energy: -186.527 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: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2078.864401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.864401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.864401 (E_RNA) where: Base-Base interactions energy: -1392.707 where: short stacking energy: -617.454 Base-Backbone interact. energy: -1.741 local terms energy: -684.416502 where: bonds (distance) C4'-P energy: -136.577 bonds (distance) P-C4' energy: -149.014 flat angles C4'-P-C4' energy: -170.475 flat angles P-C4'-P energy: -89.074 tors. eta vs tors. theta energy: -139.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1774.190570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.190570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.190570 (E_RNA) where: Base-Base interactions energy: -1147.897 where: short stacking energy: -517.042 Base-Backbone interact. energy: 6.072 local terms energy: -632.365600 where: bonds (distance) C4'-P energy: -139.015 bonds (distance) P-C4' energy: -160.037 flat angles C4'-P-C4' energy: -131.998 flat angles P-C4'-P energy: -81.583 tors. eta vs tors. theta energy: -119.732 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: 4 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1333.167827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.167827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.167827 (E_RNA) where: Base-Base interactions energy: -791.479 where: short stacking energy: -411.372 Base-Backbone interact. energy: 0.050 local terms energy: -541.738910 where: bonds (distance) C4'-P energy: -142.500 bonds (distance) P-C4' energy: -142.666 flat angles C4'-P-C4' energy: -133.441 flat angles P-C4'-P energy: -83.275 tors. eta vs tors. theta energy: -39.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -894.188259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.188259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.188259 (E_RNA) where: Base-Base interactions energy: -464.301 where: short stacking energy: -289.189 Base-Backbone interact. energy: 2.032 local terms energy: -431.918624 where: bonds (distance) C4'-P energy: -120.048 bonds (distance) P-C4' energy: -138.806 flat angles C4'-P-C4' energy: -111.958 flat angles P-C4'-P energy: -49.222 tors. eta vs tors. theta energy: -11.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2953.757668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.757668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.757668 (E_RNA) where: Base-Base interactions energy: -2093.902 where: short stacking energy: -868.074 Base-Backbone interact. energy: -1.214 local terms energy: -858.641039 where: bonds (distance) C4'-P energy: -150.433 bonds (distance) P-C4' energy: -173.705 flat angles C4'-P-C4' energy: -181.909 flat angles P-C4'-P energy: -114.600 tors. eta vs tors. theta energy: -237.994 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: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2875.118992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.118992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.118992 (E_RNA) where: Base-Base interactions energy: -2000.715 where: short stacking energy: -854.428 Base-Backbone interact. energy: -3.808 local terms energy: -870.596648 where: bonds (distance) C4'-P energy: -159.324 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -193.732 flat angles P-C4'-P energy: -128.057 tors. eta vs tors. theta energy: -233.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2787.421527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.421527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.421527 (E_RNA) where: Base-Base interactions energy: -1937.043 where: short stacking energy: -870.400 Base-Backbone interact. energy: -2.733 local terms energy: -847.645381 where: bonds (distance) C4'-P energy: -139.549 bonds (distance) P-C4' energy: -160.957 flat angles C4'-P-C4' energy: -187.955 flat angles P-C4'-P energy: -115.998 tors. eta vs tors. theta energy: -243.187 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: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2572.278152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.278152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.278152 (E_RNA) where: Base-Base interactions energy: -1749.228 where: short stacking energy: -780.744 Base-Backbone interact. energy: -2.299 local terms energy: -820.750907 where: bonds (distance) C4'-P energy: -168.673 bonds (distance) P-C4' energy: -161.714 flat angles C4'-P-C4' energy: -184.779 flat angles P-C4'-P energy: -96.937 tors. eta vs tors. theta energy: -208.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2454.012165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.012165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.012165 (E_RNA) where: Base-Base interactions energy: -1677.839 where: short stacking energy: -730.155 Base-Backbone interact. energy: -1.978 local terms energy: -774.195423 where: bonds (distance) C4'-P energy: -138.175 bonds (distance) P-C4' energy: -173.723 flat angles C4'-P-C4' energy: -169.332 flat angles P-C4'-P energy: -105.352 tors. eta vs tors. theta energy: -187.613 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: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2333.048873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.048873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.048873 (E_RNA) where: Base-Base interactions energy: -1606.066 where: short stacking energy: -686.216 Base-Backbone interact. energy: 3.236 local terms energy: -730.218409 where: bonds (distance) C4'-P energy: -142.853 bonds (distance) P-C4' energy: -151.463 flat angles C4'-P-C4' energy: -165.550 flat angles P-C4'-P energy: -111.073 tors. eta vs tors. theta energy: -159.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2069.439758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.439758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.439758 (E_RNA) where: Base-Base interactions energy: -1408.140 where: short stacking energy: -624.957 Base-Backbone interact. energy: -0.291 local terms energy: -661.008234 where: bonds (distance) C4'-P energy: -132.029 bonds (distance) P-C4' energy: -133.690 flat angles C4'-P-C4' energy: -154.455 flat angles P-C4'-P energy: -88.554 tors. eta vs tors. theta energy: -152.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1805.500805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.500805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.500805 (E_RNA) where: Base-Base interactions energy: -1175.485 where: short stacking energy: -529.117 Base-Backbone interact. energy: 0.293 local terms energy: -630.308034 where: bonds (distance) C4'-P energy: -145.955 bonds (distance) P-C4' energy: -148.226 flat angles C4'-P-C4' energy: -126.900 flat angles P-C4'-P energy: -106.777 tors. eta vs tors. theta energy: -102.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1354.252526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.252526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.252526 (E_RNA) where: Base-Base interactions energy: -831.343 where: short stacking energy: -412.542 Base-Backbone interact. energy: 4.892 local terms energy: -527.801043 where: bonds (distance) C4'-P energy: -123.216 bonds (distance) P-C4' energy: -137.199 flat angles C4'-P-C4' energy: -128.175 flat angles P-C4'-P energy: -78.884 tors. eta vs tors. theta energy: -60.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -939.402626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.402626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.402626 (E_RNA) where: Base-Base interactions energy: -492.407 where: short stacking energy: -286.714 Base-Backbone interact. energy: 1.910 local terms energy: -448.905028 where: bonds (distance) C4'-P energy: -132.224 bonds (distance) P-C4' energy: -109.093 flat angles C4'-P-C4' energy: -129.286 flat angles P-C4'-P energy: -78.508 tors. eta vs tors. theta energy: 0.206 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: 247 Temperature: 0.900000 Total energy: -2967.281936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.281936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.281936 (E_RNA) where: Base-Base interactions energy: -2072.689 where: short stacking energy: -873.924 Base-Backbone interact. energy: -4.355 local terms energy: -890.237931 where: bonds (distance) C4'-P energy: -166.183 bonds (distance) P-C4' energy: -169.026 flat angles C4'-P-C4' energy: -197.499 flat angles P-C4'-P energy: -119.125 tors. eta vs tors. theta energy: -238.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2826.736885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.736885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.736885 (E_RNA) where: Base-Base interactions energy: -1980.321 where: short stacking energy: -826.804 Base-Backbone interact. energy: -5.875 local terms energy: -840.541392 where: bonds (distance) C4'-P energy: -169.971 bonds (distance) P-C4' energy: -158.238 flat angles C4'-P-C4' energy: -180.094 flat angles P-C4'-P energy: -123.503 tors. eta vs tors. theta energy: -208.735 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: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2728.774093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.774093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.774093 (E_RNA) where: Base-Base interactions energy: -1899.971 where: short stacking energy: -843.317 Base-Backbone interact. energy: -1.383 local terms energy: -827.420563 where: bonds (distance) C4'-P energy: -144.294 bonds (distance) P-C4' energy: -155.211 flat angles C4'-P-C4' energy: -182.376 flat angles P-C4'-P energy: -119.462 tors. eta vs tors. theta energy: -226.078 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: 247 Temperature: 1.050000 Total energy: -2530.192222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.192222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.192222 (E_RNA) where: Base-Base interactions energy: -1740.826 where: short stacking energy: -740.655 Base-Backbone interact. energy: -1.688 local terms energy: -787.677368 where: bonds (distance) C4'-P energy: -169.346 bonds (distance) P-C4' energy: -148.842 flat angles C4'-P-C4' energy: -180.765 flat angles P-C4'-P energy: -106.999 tors. eta vs tors. theta energy: -181.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2496.891240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.891240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.891240 (E_RNA) where: Base-Base interactions energy: -1717.906 where: short stacking energy: -739.027 Base-Backbone interact. energy: 1.268 local terms energy: -780.252589 where: bonds (distance) C4'-P energy: -143.329 bonds (distance) P-C4' energy: -147.216 flat angles C4'-P-C4' energy: -173.754 flat angles P-C4'-P energy: -103.738 tors. eta vs tors. theta energy: -212.216 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: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2326.130087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.130087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.130087 (E_RNA) where: Base-Base interactions energy: -1567.437 where: short stacking energy: -676.602 Base-Backbone interact. energy: 5.254 local terms energy: -763.947642 where: bonds (distance) C4'-P energy: -150.650 bonds (distance) P-C4' energy: -161.920 flat angles C4'-P-C4' energy: -164.758 flat angles P-C4'-P energy: -111.672 tors. eta vs tors. theta energy: -174.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1997.367290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.367290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.367290 (E_RNA) where: Base-Base interactions energy: -1339.743 where: short stacking energy: -589.113 Base-Backbone interact. energy: -0.475 local terms energy: -657.149483 where: bonds (distance) C4'-P energy: -130.726 bonds (distance) P-C4' energy: -148.646 flat angles C4'-P-C4' energy: -158.394 flat angles P-C4'-P energy: -92.981 tors. eta vs tors. theta energy: -126.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1788.329695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.329695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.329695 (E_RNA) where: Base-Base interactions energy: -1184.377 where: short stacking energy: -531.786 Base-Backbone interact. energy: -0.809 local terms energy: -603.143635 where: bonds (distance) C4'-P energy: -128.705 bonds (distance) P-C4' energy: -142.204 flat angles C4'-P-C4' energy: -134.358 flat angles P-C4'-P energy: -81.567 tors. eta vs tors. theta energy: -116.310 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: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1316.597817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.597817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.597817 (E_RNA) where: Base-Base interactions energy: -796.436 where: short stacking energy: -388.075 Base-Backbone interact. energy: 1.608 local terms energy: -521.769484 where: bonds (distance) C4'-P energy: -114.327 bonds (distance) P-C4' energy: -159.993 flat angles C4'-P-C4' energy: -139.527 flat angles P-C4'-P energy: -71.208 tors. eta vs tors. theta energy: -36.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -891.167653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.167653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.167653 (E_RNA) where: Base-Base interactions energy: -440.731 where: short stacking energy: -232.729 Base-Backbone interact. energy: 0.394 local terms energy: -450.831356 where: bonds (distance) C4'-P energy: -135.893 bonds (distance) P-C4' energy: -163.150 flat angles C4'-P-C4' energy: -114.658 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: 19.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2980.821303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.821303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.821303 (E_RNA) where: Base-Base interactions energy: -2079.990 where: short stacking energy: -872.329 Base-Backbone interact. energy: 1.112 local terms energy: -901.943202 where: bonds (distance) C4'-P energy: -168.241 bonds (distance) P-C4' energy: -175.299 flat angles C4'-P-C4' energy: -182.394 flat angles P-C4'-P energy: -132.175 tors. eta vs tors. theta energy: -243.835 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: 6 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2905.095233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.095233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.095233 (E_RNA) where: Base-Base interactions energy: -2029.839 where: short stacking energy: -864.660 Base-Backbone interact. energy: -5.940 local terms energy: -869.316345 where: bonds (distance) C4'-P energy: -157.979 bonds (distance) P-C4' energy: -182.982 flat angles C4'-P-C4' energy: -185.240 flat angles P-C4'-P energy: -116.186 tors. eta vs tors. theta energy: -226.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2716.208340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.208340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.208340 (E_RNA) where: Base-Base interactions energy: -1845.677 where: short stacking energy: -842.223 Base-Backbone interact. energy: -2.588 local terms energy: -867.943098 where: bonds (distance) C4'-P energy: -161.297 bonds (distance) P-C4' energy: -164.742 flat angles C4'-P-C4' energy: -187.096 flat angles P-C4'-P energy: -117.983 tors. eta vs tors. theta energy: -236.825 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: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2604.075181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.075181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.075181 (E_RNA) where: Base-Base interactions energy: -1757.341 where: short stacking energy: -763.554 Base-Backbone interact. energy: -3.735 local terms energy: -842.998975 where: bonds (distance) C4'-P energy: -156.146 bonds (distance) P-C4' energy: -169.829 flat angles C4'-P-C4' energy: -179.676 flat angles P-C4'-P energy: -124.214 tors. eta vs tors. theta energy: -213.135 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: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2499.940367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.940367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.940367 (E_RNA) where: Base-Base interactions energy: -1712.934 where: short stacking energy: -740.212 Base-Backbone interact. energy: -1.480 local terms energy: -785.527076 where: bonds (distance) C4'-P energy: -150.491 bonds (distance) P-C4' energy: -133.516 flat angles C4'-P-C4' energy: -183.223 flat angles P-C4'-P energy: -112.885 tors. eta vs tors. theta energy: -205.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2310.196652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.196652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.196652 (E_RNA) where: Base-Base interactions energy: -1582.715 where: short stacking energy: -724.033 Base-Backbone interact. energy: -1.260 local terms energy: -726.221318 where: bonds (distance) C4'-P energy: -142.577 bonds (distance) P-C4' energy: -138.523 flat angles C4'-P-C4' energy: -161.161 flat angles P-C4'-P energy: -95.410 tors. eta vs tors. theta energy: -188.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2096.935052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.935052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.935052 (E_RNA) where: Base-Base interactions energy: -1398.769 where: short stacking energy: -612.373 Base-Backbone interact. energy: -0.877 local terms energy: -697.288359 where: bonds (distance) C4'-P energy: -149.696 bonds (distance) P-C4' energy: -147.269 flat angles C4'-P-C4' energy: -176.915 flat angles P-C4'-P energy: -78.175 tors. eta vs tors. theta energy: -145.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1767.425015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.425015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.425015 (E_RNA) where: Base-Base interactions energy: -1134.857 where: short stacking energy: -496.644 Base-Backbone interact. energy: -5.503 local terms energy: -627.065382 where: bonds (distance) C4'-P energy: -142.846 bonds (distance) P-C4' energy: -149.614 flat angles C4'-P-C4' energy: -133.697 flat angles P-C4'-P energy: -99.188 tors. eta vs tors. theta energy: -101.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1267.579129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.579129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.579129 (E_RNA) where: Base-Base interactions energy: -739.631 where: short stacking energy: -390.455 Base-Backbone interact. energy: -0.143 local terms energy: -527.805226 where: bonds (distance) C4'-P energy: -116.696 bonds (distance) P-C4' energy: -148.689 flat angles C4'-P-C4' energy: -119.331 flat angles P-C4'-P energy: -83.699 tors. eta vs tors. theta energy: -59.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -976.011644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.011644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.011644 (E_RNA) where: Base-Base interactions energy: -560.804 where: short stacking energy: -289.810 Base-Backbone interact. energy: 2.103 local terms energy: -417.310801 where: bonds (distance) C4'-P energy: -111.611 bonds (distance) P-C4' energy: -138.065 flat angles C4'-P-C4' energy: -105.286 flat angles P-C4'-P energy: -56.909 tors. eta vs tors. theta energy: -5.440 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: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2952.489719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.489719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.489719 (E_RNA) where: Base-Base interactions energy: -2061.897 where: short stacking energy: -842.235 Base-Backbone interact. energy: -4.306 local terms energy: -886.287025 where: bonds (distance) C4'-P energy: -176.433 bonds (distance) P-C4' energy: -160.522 flat angles C4'-P-C4' energy: -193.122 flat angles P-C4'-P energy: -131.042 tors. eta vs tors. theta energy: -225.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2907.781318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.781318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.781318 (E_RNA) where: Base-Base interactions energy: -2045.624 where: short stacking energy: -849.725 Base-Backbone interact. energy: -4.140 local terms energy: -858.017236 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -169.005 flat angles C4'-P-C4' energy: -183.458 flat angles P-C4'-P energy: -128.043 tors. eta vs tors. theta energy: -228.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2715.578371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.578371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.578371 (E_RNA) where: Base-Base interactions energy: -1847.485 where: short stacking energy: -826.442 Base-Backbone interact. energy: -0.540 local terms energy: -867.553954 where: bonds (distance) C4'-P energy: -158.076 bonds (distance) P-C4' energy: -161.708 flat angles C4'-P-C4' energy: -185.861 flat angles P-C4'-P energy: -124.971 tors. eta vs tors. theta energy: -236.939 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: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2641.100417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.100417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.100417 (E_RNA) where: Base-Base interactions energy: -1812.656 where: short stacking energy: -797.293 Base-Backbone interact. energy: -1.897 local terms energy: -826.547764 where: bonds (distance) C4'-P energy: -152.628 bonds (distance) P-C4' energy: -165.744 flat angles C4'-P-C4' energy: -170.839 flat angles P-C4'-P energy: -120.225 tors. eta vs tors. theta energy: -217.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2565.910400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.910400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.910400 (E_RNA) where: Base-Base interactions energy: -1754.134 where: short stacking energy: -753.205 Base-Backbone interact. energy: -2.709 local terms energy: -809.067402 where: bonds (distance) C4'-P energy: -149.149 bonds (distance) P-C4' energy: -155.950 flat angles C4'-P-C4' energy: -186.301 flat angles P-C4'-P energy: -113.488 tors. eta vs tors. theta energy: -204.181 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: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2300.910369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.910369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.910369 (E_RNA) where: Base-Base interactions energy: -1550.524 where: short stacking energy: -669.285 Base-Backbone interact. energy: -2.192 local terms energy: -748.194390 where: bonds (distance) C4'-P energy: -133.978 bonds (distance) P-C4' energy: -151.802 flat angles C4'-P-C4' energy: -160.927 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -194.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2142.036468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.036468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.036468 (E_RNA) where: Base-Base interactions energy: -1459.400 where: short stacking energy: -660.464 Base-Backbone interact. energy: 0.750 local terms energy: -683.386032 where: bonds (distance) C4'-P energy: -142.927 bonds (distance) P-C4' energy: -145.076 flat angles C4'-P-C4' energy: -160.049 flat angles P-C4'-P energy: -87.794 tors. eta vs tors. theta energy: -147.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1836.269497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.269497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.269497 (E_RNA) where: Base-Base interactions energy: -1196.611 where: short stacking energy: -516.263 Base-Backbone interact. energy: 2.197 local terms energy: -641.855346 where: bonds (distance) C4'-P energy: -137.477 bonds (distance) P-C4' energy: -133.817 flat angles C4'-P-C4' energy: -149.937 flat angles P-C4'-P energy: -102.455 tors. eta vs tors. theta energy: -118.170 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: 9, replica: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1249.006673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.006673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.006673 (E_RNA) where: Base-Base interactions energy: -750.048 where: short stacking energy: -357.270 Base-Backbone interact. energy: 2.146 local terms energy: -501.104887 where: bonds (distance) C4'-P energy: -140.040 bonds (distance) P-C4' energy: -126.095 flat angles C4'-P-C4' energy: -117.122 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -45.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1007.669736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.669736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.669736 (E_RNA) where: Base-Base interactions energy: -573.775 where: short stacking energy: -302.019 Base-Backbone interact. energy: 2.959 local terms energy: -436.853814 where: bonds (distance) C4'-P energy: -140.799 bonds (distance) P-C4' energy: -111.048 flat angles C4'-P-C4' energy: -107.632 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -14.449 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: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2950.715647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.715647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.715647 (E_RNA) where: Base-Base interactions energy: -2070.570 where: short stacking energy: -841.113 Base-Backbone interact. energy: -2.413 local terms energy: -877.732755 where: bonds (distance) C4'-P energy: -165.454 bonds (distance) P-C4' energy: -164.551 flat angles C4'-P-C4' energy: -192.370 flat angles P-C4'-P energy: -130.591 tors. eta vs tors. theta energy: -224.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2873.462993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.462993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.462993 (E_RNA) where: Base-Base interactions energy: -1994.145 where: short stacking energy: -828.469 Base-Backbone interact. energy: -2.311 local terms energy: -877.006829 where: bonds (distance) C4'-P energy: -159.525 bonds (distance) P-C4' energy: -172.204 flat angles C4'-P-C4' energy: -183.921 flat angles P-C4'-P energy: -128.135 tors. eta vs tors. theta energy: -233.222 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: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2732.680026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.680026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.680026 (E_RNA) where: Base-Base interactions energy: -1902.056 where: short stacking energy: -838.161 Base-Backbone interact. energy: 1.114 local terms energy: -831.738417 where: bonds (distance) C4'-P energy: -141.231 bonds (distance) P-C4' energy: -162.445 flat angles C4'-P-C4' energy: -190.233 flat angles P-C4'-P energy: -104.783 tors. eta vs tors. theta energy: -233.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2666.947711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.947711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.947711 (E_RNA) where: Base-Base interactions energy: -1835.373 where: short stacking energy: -802.314 Base-Backbone interact. energy: -6.464 local terms energy: -825.110273 where: bonds (distance) C4'-P energy: -146.927 bonds (distance) P-C4' energy: -158.033 flat angles C4'-P-C4' energy: -187.640 flat angles P-C4'-P energy: -106.484 tors. eta vs tors. theta energy: -226.027 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: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2501.044299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.044299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.044299 (E_RNA) where: Base-Base interactions energy: -1726.052 where: short stacking energy: -731.214 Base-Backbone interact. energy: -1.473 local terms energy: -773.519142 where: bonds (distance) C4'-P energy: -154.562 bonds (distance) P-C4' energy: -142.512 flat angles C4'-P-C4' energy: -176.641 flat angles P-C4'-P energy: -103.988 tors. eta vs tors. theta energy: -195.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2288.232027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.232027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.232027 (E_RNA) where: Base-Base interactions energy: -1574.562 where: short stacking energy: -698.449 Base-Backbone interact. energy: 3.543 local terms energy: -717.213051 where: bonds (distance) C4'-P energy: -135.970 bonds (distance) P-C4' energy: -138.992 flat angles C4'-P-C4' energy: -175.900 flat angles P-C4'-P energy: -89.719 tors. eta vs tors. theta energy: -176.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2140.436449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.436449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.436449 (E_RNA) where: Base-Base interactions energy: -1465.280 where: short stacking energy: -657.192 Base-Backbone interact. energy: -4.076 local terms energy: -671.080138 where: bonds (distance) C4'-P energy: -129.233 bonds (distance) P-C4' energy: -135.159 flat angles C4'-P-C4' energy: -156.649 flat angles P-C4'-P energy: -96.734 tors. eta vs tors. theta energy: -153.305 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: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1751.003036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.003036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.003036 (E_RNA) where: Base-Base interactions energy: -1155.428 where: short stacking energy: -534.018 Base-Backbone interact. energy: 2.331 local terms energy: -597.905902 where: bonds (distance) C4'-P energy: -127.774 bonds (distance) P-C4' energy: -117.513 flat angles C4'-P-C4' energy: -150.487 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -118.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1296.089903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.089903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.089903 (E_RNA) where: Base-Base interactions energy: -769.388 where: short stacking energy: -381.269 Base-Backbone interact. energy: 0.733 local terms energy: -527.434396 where: bonds (distance) C4'-P energy: -138.097 bonds (distance) P-C4' energy: -146.099 flat angles C4'-P-C4' energy: -123.112 flat angles P-C4'-P energy: -63.195 tors. eta vs tors. theta energy: -56.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1046.386682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.386682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.386682 (E_RNA) where: Base-Base interactions energy: -594.195 where: short stacking energy: -304.606 Base-Backbone interact. energy: 3.974 local terms energy: -456.165570 where: bonds (distance) C4'-P energy: -154.823 bonds (distance) P-C4' energy: -121.005 flat angles C4'-P-C4' energy: -104.157 flat angles P-C4'-P energy: -75.604 tors. eta vs tors. theta energy: -0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2986.033877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.033877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.033877 (E_RNA) where: Base-Base interactions energy: -2100.179 where: short stacking energy: -853.891 Base-Backbone interact. energy: -1.147 local terms energy: -884.707435 where: bonds (distance) C4'-P energy: -174.470 bonds (distance) P-C4' energy: -163.127 flat angles C4'-P-C4' energy: -188.951 flat angles P-C4'-P energy: -129.471 tors. eta vs tors. theta energy: -228.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2859.158283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.158283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.158283 (E_RNA) where: Base-Base interactions energy: -1989.672 where: short stacking energy: -841.089 Base-Backbone interact. energy: -1.096 local terms energy: -868.389711 where: bonds (distance) C4'-P energy: -160.673 bonds (distance) P-C4' energy: -180.419 flat angles C4'-P-C4' energy: -175.831 flat angles P-C4'-P energy: -111.718 tors. eta vs tors. theta energy: -239.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2652.475900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.475900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.475900 (E_RNA) where: Base-Base interactions energy: -1854.351 where: short stacking energy: -815.922 Base-Backbone interact. energy: -0.448 local terms energy: -797.676929 where: bonds (distance) C4'-P energy: -136.826 bonds (distance) P-C4' energy: -162.115 flat angles C4'-P-C4' energy: -178.342 flat angles P-C4'-P energy: -115.621 tors. eta vs tors. theta energy: -204.774 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: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2693.399722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.399722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.399722 (E_RNA) where: Base-Base interactions energy: -1855.891 where: short stacking energy: -813.854 Base-Backbone interact. energy: 1.831 local terms energy: -839.339147 where: bonds (distance) C4'-P energy: -155.848 bonds (distance) P-C4' energy: -163.646 flat angles C4'-P-C4' energy: -190.186 flat angles P-C4'-P energy: -100.101 tors. eta vs tors. theta energy: -229.558 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: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2485.050280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.050280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.050280 (E_RNA) where: Base-Base interactions energy: -1713.202 where: short stacking energy: -735.168 Base-Backbone interact. energy: -1.708 local terms energy: -770.139753 where: bonds (distance) C4'-P energy: -162.552 bonds (distance) P-C4' energy: -151.746 flat angles C4'-P-C4' energy: -164.124 flat angles P-C4'-P energy: -111.759 tors. eta vs tors. theta energy: -179.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2304.911217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.911217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.911217 (E_RNA) where: Base-Base interactions energy: -1547.519 where: short stacking energy: -678.791 Base-Backbone interact. energy: -0.433 local terms energy: -756.959686 where: bonds (distance) C4'-P energy: -141.501 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -167.126 flat angles P-C4'-P energy: -118.507 tors. eta vs tors. theta energy: -173.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2137.342309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.342309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.342309 (E_RNA) where: Base-Base interactions energy: -1453.049 where: short stacking energy: -629.348 Base-Backbone interact. energy: 0.603 local terms energy: -684.897217 where: bonds (distance) C4'-P energy: -132.412 bonds (distance) P-C4' energy: -141.998 flat angles C4'-P-C4' energy: -150.576 flat angles P-C4'-P energy: -99.005 tors. eta vs tors. theta energy: -160.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1804.226867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.226867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.226867 (E_RNA) where: Base-Base interactions energy: -1184.534 where: short stacking energy: -525.019 Base-Backbone interact. energy: 0.800 local terms energy: -620.493116 where: bonds (distance) C4'-P energy: -117.855 bonds (distance) P-C4' energy: -153.023 flat angles C4'-P-C4' energy: -155.448 flat angles P-C4'-P energy: -90.947 tors. eta vs tors. theta energy: -103.220 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: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1320.911520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.911520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.911520 (E_RNA) where: Base-Base interactions energy: -774.133 where: short stacking energy: -396.129 Base-Backbone interact. energy: 0.502 local terms energy: -547.280659 where: bonds (distance) C4'-P energy: -125.210 bonds (distance) P-C4' energy: -146.953 flat angles C4'-P-C4' energy: -142.009 flat angles P-C4'-P energy: -75.758 tors. eta vs tors. theta energy: -57.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -950.490014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.490014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.490014 (E_RNA) where: Base-Base interactions energy: -512.466 where: short stacking energy: -275.757 Base-Backbone interact. energy: 2.290 local terms energy: -440.313793 where: bonds (distance) C4'-P energy: -133.475 bonds (distance) P-C4' energy: -143.495 flat angles C4'-P-C4' energy: -104.487 flat angles P-C4'-P energy: -67.515 tors. eta vs tors. theta energy: 8.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3015.441524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.441524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.441524 (E_RNA) where: Base-Base interactions energy: -2126.681 where: short stacking energy: -913.631 Base-Backbone interact. energy: -6.980 local terms energy: -881.780539 where: bonds (distance) C4'-P energy: -150.515 bonds (distance) P-C4' energy: -168.282 flat angles C4'-P-C4' energy: -186.637 flat angles P-C4'-P energy: -135.571 tors. eta vs tors. theta energy: -240.777 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: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2884.375757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.375757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.375757 (E_RNA) where: Base-Base interactions energy: -2003.034 where: short stacking energy: -833.218 Base-Backbone interact. energy: 3.443 local terms energy: -884.785105 where: bonds (distance) C4'-P energy: -153.290 bonds (distance) P-C4' energy: -175.708 flat angles C4'-P-C4' energy: -179.300 flat angles P-C4'-P energy: -138.222 tors. eta vs tors. theta energy: -238.265 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: 252 Temperature: 1.000000 Total energy: -2751.253674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.253674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.253674 (E_RNA) where: Base-Base interactions energy: -1896.037 where: short stacking energy: -827.390 Base-Backbone interact. energy: -2.173 local terms energy: -853.044087 where: bonds (distance) C4'-P energy: -167.530 bonds (distance) P-C4' energy: -170.659 flat angles C4'-P-C4' energy: -180.252 flat angles P-C4'-P energy: -102.799 tors. eta vs tors. theta energy: -231.804 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: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2626.994790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.994790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.994790 (E_RNA) where: Base-Base interactions energy: -1803.200 where: short stacking energy: -805.972 Base-Backbone interact. energy: 0.538 local terms energy: -824.332607 where: bonds (distance) C4'-P energy: -155.550 bonds (distance) P-C4' energy: -156.424 flat angles C4'-P-C4' energy: -194.410 flat angles P-C4'-P energy: -109.248 tors. eta vs tors. theta energy: -208.701 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: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2432.988701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.988701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.988701 (E_RNA) where: Base-Base interactions energy: -1716.550 where: short stacking energy: -744.089 Base-Backbone interact. energy: 0.297 local terms energy: -716.735805 where: bonds (distance) C4'-P energy: -125.563 bonds (distance) P-C4' energy: -143.085 flat angles C4'-P-C4' energy: -152.760 flat angles P-C4'-P energy: -106.949 tors. eta vs tors. theta energy: -188.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2317.654231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.654231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.654231 (E_RNA) where: Base-Base interactions energy: -1599.796 where: short stacking energy: -690.151 Base-Backbone interact. energy: -4.863 local terms energy: -712.995743 where: bonds (distance) C4'-P energy: -125.836 bonds (distance) P-C4' energy: -160.780 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -93.036 tors. eta vs tors. theta energy: -178.797 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: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2090.566932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.566932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.566932 (E_RNA) where: Base-Base interactions energy: -1421.664 where: short stacking energy: -617.872 Base-Backbone interact. energy: 2.696 local terms energy: -671.598996 where: bonds (distance) C4'-P energy: -136.222 bonds (distance) P-C4' energy: -138.257 flat angles C4'-P-C4' energy: -152.169 flat angles P-C4'-P energy: -92.419 tors. eta vs tors. theta energy: -152.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1806.484149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.484149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.484149 (E_RNA) where: Base-Base interactions energy: -1194.663 where: short stacking energy: -569.527 Base-Backbone interact. energy: -0.001 local terms energy: -611.820959 where: bonds (distance) C4'-P energy: -109.795 bonds (distance) P-C4' energy: -144.994 flat angles C4'-P-C4' energy: -145.732 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -121.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1212.253585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.253585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.253585 (E_RNA) where: Base-Base interactions energy: -699.195 where: short stacking energy: -343.941 Base-Backbone interact. energy: -1.494 local terms energy: -511.564937 where: bonds (distance) C4'-P energy: -131.614 bonds (distance) P-C4' energy: -135.491 flat angles C4'-P-C4' energy: -126.681 flat angles P-C4'-P energy: -88.210 tors. eta vs tors. theta energy: -29.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1084.793529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.793529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.793529 (E_RNA) where: Base-Base interactions energy: -628.248 where: short stacking energy: -310.228 Base-Backbone interact. energy: 1.104 local terms energy: -457.649038 where: bonds (distance) C4'-P energy: -128.491 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -115.109 flat angles P-C4'-P energy: -62.897 tors. eta vs tors. theta energy: -23.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2987.373369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.373369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.373369 (E_RNA) where: Base-Base interactions energy: -2070.170 where: short stacking energy: -876.899 Base-Backbone interact. energy: -3.350 local terms energy: -913.853167 where: bonds (distance) C4'-P energy: -159.616 bonds (distance) P-C4' energy: -177.687 flat angles C4'-P-C4' energy: -201.736 flat angles P-C4'-P energy: -129.370 tors. eta vs tors. theta energy: -245.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2896.109591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.109591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.109591 (E_RNA) where: Base-Base interactions energy: -2025.353 where: short stacking energy: -865.792 Base-Backbone interact. energy: -4.224 local terms energy: -866.532618 where: bonds (distance) C4'-P energy: -154.114 bonds (distance) P-C4' energy: -166.102 flat angles C4'-P-C4' energy: -182.921 flat angles P-C4'-P energy: -125.730 tors. eta vs tors. theta energy: -237.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2775.927581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.927581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.927581 (E_RNA) where: Base-Base interactions energy: -1923.213 where: short stacking energy: -850.073 Base-Backbone interact. energy: -4.271 local terms energy: -848.442814 where: bonds (distance) C4'-P energy: -142.707 bonds (distance) P-C4' energy: -164.173 flat angles C4'-P-C4' energy: -190.239 flat angles P-C4'-P energy: -110.823 tors. eta vs tors. theta energy: -240.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2630.045372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.045372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.045372 (E_RNA) where: Base-Base interactions energy: -1834.765 where: short stacking energy: -808.641 Base-Backbone interact. energy: -1.690 local terms energy: -793.590202 where: bonds (distance) C4'-P energy: -152.556 bonds (distance) P-C4' energy: -140.547 flat angles C4'-P-C4' energy: -176.141 flat angles P-C4'-P energy: -103.320 tors. eta vs tors. theta energy: -221.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2409.195075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.195075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.195075 (E_RNA) where: Base-Base interactions energy: -1666.726 where: short stacking energy: -736.511 Base-Backbone interact. energy: -2.480 local terms energy: -739.989047 where: bonds (distance) C4'-P energy: -127.947 bonds (distance) P-C4' energy: -148.061 flat angles C4'-P-C4' energy: -166.423 flat angles P-C4'-P energy: -110.266 tors. eta vs tors. theta energy: -187.292 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: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2377.039263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.039263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.039263 (E_RNA) where: Base-Base interactions energy: -1642.610 where: short stacking energy: -717.779 Base-Backbone interact. energy: -3.563 local terms energy: -730.866714 where: bonds (distance) C4'-P energy: -133.500 bonds (distance) P-C4' energy: -153.137 flat angles C4'-P-C4' energy: -162.396 flat angles P-C4'-P energy: -99.591 tors. eta vs tors. theta energy: -182.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2157.813215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.813215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.813215 (E_RNA) where: Base-Base interactions energy: -1471.290 where: short stacking energy: -666.856 Base-Backbone interact. energy: -2.156 local terms energy: -684.367145 where: bonds (distance) C4'-P energy: -135.607 bonds (distance) P-C4' energy: -155.693 flat angles C4'-P-C4' energy: -159.262 flat angles P-C4'-P energy: -72.875 tors. eta vs tors. theta energy: -160.930 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: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1823.696585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.696585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.696585 (E_RNA) where: Base-Base interactions energy: -1188.722 where: short stacking energy: -513.872 Base-Backbone interact. energy: 0.194 local terms energy: -635.168385 where: bonds (distance) C4'-P energy: -140.039 bonds (distance) P-C4' energy: -143.267 flat angles C4'-P-C4' energy: -132.371 flat angles P-C4'-P energy: -95.988 tors. eta vs tors. theta energy: -123.503 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: 4 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1281.204771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.204771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.204771 (E_RNA) where: Base-Base interactions energy: -711.880 where: short stacking energy: -358.322 Base-Backbone interact. energy: 3.010 local terms energy: -572.334366 where: bonds (distance) C4'-P energy: -149.416 bonds (distance) P-C4' energy: -149.705 flat angles C4'-P-C4' energy: -144.877 flat angles P-C4'-P energy: -83.656 tors. eta vs tors. theta energy: -44.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1065.862602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.862602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.862602 (E_RNA) where: Base-Base interactions energy: -583.993 where: short stacking energy: -272.449 Base-Backbone interact. energy: 1.800 local terms energy: -483.669248 where: bonds (distance) C4'-P energy: -124.314 bonds (distance) P-C4' energy: -163.664 flat angles C4'-P-C4' energy: -116.591 flat angles P-C4'-P energy: -80.402 tors. eta vs tors. theta energy: 1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2994.273032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.273032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.273032 (E_RNA) where: Base-Base interactions energy: -2095.709 where: short stacking energy: -876.870 Base-Backbone interact. energy: -5.002 local terms energy: -893.562770 where: bonds (distance) C4'-P energy: -163.066 bonds (distance) P-C4' energy: -180.171 flat angles C4'-P-C4' energy: -199.865 flat angles P-C4'-P energy: -114.670 tors. eta vs tors. theta energy: -235.791 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: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2871.848100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.848100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.848100 (E_RNA) where: Base-Base interactions energy: -2012.759 where: short stacking energy: -872.772 Base-Backbone interact. energy: -3.658 local terms energy: -855.431942 where: bonds (distance) C4'-P energy: -160.172 bonds (distance) P-C4' energy: -159.854 flat angles C4'-P-C4' energy: -186.293 flat angles P-C4'-P energy: -103.718 tors. eta vs tors. theta energy: -245.395 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: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2767.220519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.220519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.220519 (E_RNA) where: Base-Base interactions energy: -1913.686 where: short stacking energy: -820.948 Base-Backbone interact. energy: 0.672 local terms energy: -854.206677 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -173.991 flat angles C4'-P-C4' energy: -179.351 flat angles P-C4'-P energy: -126.301 tors. eta vs tors. theta energy: -233.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2609.111571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.111571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.111571 (E_RNA) where: Base-Base interactions energy: -1810.584 where: short stacking energy: -809.608 Base-Backbone interact. energy: 6.822 local terms energy: -805.349685 where: bonds (distance) C4'-P energy: -159.275 bonds (distance) P-C4' energy: -154.843 flat angles C4'-P-C4' energy: -172.410 flat angles P-C4'-P energy: -105.573 tors. eta vs tors. theta energy: -213.248 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: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2464.610379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.610379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.610379 (E_RNA) where: Base-Base interactions energy: -1720.771 where: short stacking energy: -735.350 Base-Backbone interact. energy: 0.616 local terms energy: -744.455746 where: bonds (distance) C4'-P energy: -150.735 bonds (distance) P-C4' energy: -154.659 flat angles C4'-P-C4' energy: -160.272 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -179.888 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: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2450.236575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.236575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.236575 (E_RNA) where: Base-Base interactions energy: -1695.985 where: short stacking energy: -731.046 Base-Backbone interact. energy: -0.555 local terms energy: -753.696671 where: bonds (distance) C4'-P energy: -146.994 bonds (distance) P-C4' energy: -144.819 flat angles C4'-P-C4' energy: -175.901 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -186.692 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: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2220.635818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.635818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.635818 (E_RNA) where: Base-Base interactions energy: -1496.791 where: short stacking energy: -673.202 Base-Backbone interact. energy: 2.558 local terms energy: -726.402794 where: bonds (distance) C4'-P energy: -119.285 bonds (distance) P-C4' energy: -168.184 flat angles C4'-P-C4' energy: -166.399 flat angles P-C4'-P energy: -100.740 tors. eta vs tors. theta energy: -171.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1850.640707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.640707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.640707 (E_RNA) where: Base-Base interactions energy: -1245.291 where: short stacking energy: -539.815 Base-Backbone interact. energy: -2.997 local terms energy: -602.353123 where: bonds (distance) C4'-P energy: -130.214 bonds (distance) P-C4' energy: -142.430 flat angles C4'-P-C4' energy: -140.581 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: -112.823 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: 9, replica: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1280.003698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.003698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.003698 (E_RNA) where: Base-Base interactions energy: -762.399 where: short stacking energy: -401.439 Base-Backbone interact. energy: -2.681 local terms energy: -514.923597 where: bonds (distance) C4'-P energy: -126.828 bonds (distance) P-C4' energy: -141.727 flat angles C4'-P-C4' energy: -110.074 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -56.489 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: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1081.457662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.457662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.457662 (E_RNA) where: Base-Base interactions energy: -618.164 where: short stacking energy: -343.192 Base-Backbone interact. energy: 6.056 local terms energy: -469.349523 where: bonds (distance) C4'-P energy: -110.722 bonds (distance) P-C4' energy: -133.209 flat angles C4'-P-C4' energy: -125.547 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -25.296 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: 255 Temperature: 0.900000 Total energy: -2980.344614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.344614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.344614 (E_RNA) where: Base-Base interactions energy: -2094.902 where: short stacking energy: -869.562 Base-Backbone interact. energy: -5.498 local terms energy: -879.944989 where: bonds (distance) C4'-P energy: -163.131 bonds (distance) P-C4' energy: -184.397 flat angles C4'-P-C4' energy: -190.377 flat angles P-C4'-P energy: -108.143 tors. eta vs tors. theta energy: -233.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2900.382698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.382698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.382698 (E_RNA) where: Base-Base interactions energy: -2043.454 where: short stacking energy: -873.062 Base-Backbone interact. energy: -1.837 local terms energy: -855.091657 where: bonds (distance) C4'-P energy: -161.959 bonds (distance) P-C4' energy: -142.664 flat angles C4'-P-C4' energy: -187.573 flat angles P-C4'-P energy: -122.921 tors. eta vs tors. theta energy: -239.974 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: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2796.933055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.933055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.933055 (E_RNA) where: Base-Base interactions energy: -1955.594 where: short stacking energy: -820.932 Base-Backbone interact. energy: 1.324 local terms energy: -842.663335 where: bonds (distance) C4'-P energy: -140.656 bonds (distance) P-C4' energy: -158.785 flat angles C4'-P-C4' energy: -191.809 flat angles P-C4'-P energy: -120.976 tors. eta vs tors. theta energy: -230.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2617.387223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.387223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.387223 (E_RNA) where: Base-Base interactions energy: -1790.095 where: short stacking energy: -780.325 Base-Backbone interact. energy: 2.057 local terms energy: -829.349291 where: bonds (distance) C4'-P energy: -143.046 bonds (distance) P-C4' energy: -158.103 flat angles C4'-P-C4' energy: -183.708 flat angles P-C4'-P energy: -115.964 tors. eta vs tors. theta energy: -228.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2488.111369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.111369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.111369 (E_RNA) where: Base-Base interactions energy: -1733.789 where: short stacking energy: -760.431 Base-Backbone interact. energy: -3.395 local terms energy: -750.928298 where: bonds (distance) C4'-P energy: -120.851 bonds (distance) P-C4' energy: -150.801 flat angles C4'-P-C4' energy: -180.056 flat angles P-C4'-P energy: -88.501 tors. eta vs tors. theta energy: -210.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2350.443737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.443737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.443737 (E_RNA) where: Base-Base interactions energy: -1660.188 where: short stacking energy: -722.985 Base-Backbone interact. energy: -3.244 local terms energy: -687.011680 where: bonds (distance) C4'-P energy: -122.465 bonds (distance) P-C4' energy: -125.147 flat angles C4'-P-C4' energy: -159.358 flat angles P-C4'-P energy: -89.188 tors. eta vs tors. theta energy: -190.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2149.702407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.702407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.702407 (E_RNA) where: Base-Base interactions energy: -1446.560 where: short stacking energy: -626.533 Base-Backbone interact. energy: -1.954 local terms energy: -701.188114 where: bonds (distance) C4'-P energy: -142.314 bonds (distance) P-C4' energy: -142.349 flat angles C4'-P-C4' energy: -163.551 flat angles P-C4'-P energy: -94.657 tors. eta vs tors. theta energy: -158.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1797.979531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.979531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.979531 (E_RNA) where: Base-Base interactions energy: -1190.837 where: short stacking energy: -519.895 Base-Backbone interact. energy: -0.289 local terms energy: -606.854050 where: bonds (distance) C4'-P energy: -135.601 bonds (distance) P-C4' energy: -143.636 flat angles C4'-P-C4' energy: -135.237 flat angles P-C4'-P energy: -72.056 tors. eta vs tors. theta energy: -120.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1269.109112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.109112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.109112 (E_RNA) where: Base-Base interactions energy: -785.658 where: short stacking energy: -381.101 Base-Backbone interact. energy: 0.153 local terms energy: -483.603925 where: bonds (distance) C4'-P energy: -128.722 bonds (distance) P-C4' energy: -107.080 flat angles C4'-P-C4' energy: -149.058 flat angles P-C4'-P energy: -68.582 tors. eta vs tors. theta energy: -30.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1110.778391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.778391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.778391 (E_RNA) where: Base-Base interactions energy: -636.977 where: short stacking energy: -310.997 Base-Backbone interact. energy: 1.192 local terms energy: -474.993719 where: bonds (distance) C4'-P energy: -137.175 bonds (distance) P-C4' energy: -134.696 flat angles C4'-P-C4' energy: -105.233 flat angles P-C4'-P energy: -79.185 tors. eta vs tors. theta energy: -18.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2970.605897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.605897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.605897 (E_RNA) where: Base-Base interactions energy: -2062.740 where: short stacking energy: -851.690 Base-Backbone interact. energy: -2.182 local terms energy: -905.683862 where: bonds (distance) C4'-P energy: -177.537 bonds (distance) P-C4' energy: -168.746 flat angles C4'-P-C4' energy: -192.808 flat angles P-C4'-P energy: -132.874 tors. eta vs tors. theta energy: -233.718 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: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2883.905934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.905934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.905934 (E_RNA) where: Base-Base interactions energy: -1989.168 where: short stacking energy: -853.278 Base-Backbone interact. energy: -3.464 local terms energy: -891.273888 where: bonds (distance) C4'-P energy: -159.610 bonds (distance) P-C4' energy: -164.939 flat angles C4'-P-C4' energy: -202.937 flat angles P-C4'-P energy: -136.774 tors. eta vs tors. theta energy: -227.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2749.682782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.682782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.682782 (E_RNA) where: Base-Base interactions energy: -1925.644 where: short stacking energy: -834.611 Base-Backbone interact. energy: 5.537 local terms energy: -829.575542 where: bonds (distance) C4'-P energy: -155.212 bonds (distance) P-C4' energy: -154.785 flat angles C4'-P-C4' energy: -170.239 flat angles P-C4'-P energy: -118.460 tors. eta vs tors. theta energy: -230.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2582.387543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.387543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.387543 (E_RNA) where: Base-Base interactions energy: -1782.646 where: short stacking energy: -800.998 Base-Backbone interact. energy: -3.811 local terms energy: -795.931155 where: bonds (distance) C4'-P energy: -134.968 bonds (distance) P-C4' energy: -152.464 flat angles C4'-P-C4' energy: -185.742 flat angles P-C4'-P energy: -98.337 tors. eta vs tors. theta energy: -224.420 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: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2490.704113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.704113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.704113 (E_RNA) where: Base-Base interactions energy: -1689.218 where: short stacking energy: -685.019 Base-Backbone interact. energy: -0.315 local terms energy: -801.170814 where: bonds (distance) C4'-P energy: -171.925 bonds (distance) P-C4' energy: -155.720 flat angles C4'-P-C4' energy: -184.946 flat angles P-C4'-P energy: -104.129 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: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2352.653710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.653710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.653710 (E_RNA) where: Base-Base interactions energy: -1615.339 where: short stacking energy: -681.470 Base-Backbone interact. energy: 1.072 local terms energy: -738.386397 where: bonds (distance) C4'-P energy: -142.647 bonds (distance) P-C4' energy: -145.687 flat angles C4'-P-C4' energy: -164.570 flat angles P-C4'-P energy: -107.980 tors. eta vs tors. theta energy: -177.502 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: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2156.611355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.611355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.611355 (E_RNA) where: Base-Base interactions energy: -1484.958 where: short stacking energy: -644.543 Base-Backbone interact. energy: -0.353 local terms energy: -671.300332 where: bonds (distance) C4'-P energy: -121.688 bonds (distance) P-C4' energy: -120.699 flat angles C4'-P-C4' energy: -155.229 flat angles P-C4'-P energy: -109.407 tors. eta vs tors. theta energy: -164.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1823.020220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.020220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.020220 (E_RNA) where: Base-Base interactions energy: -1213.979 where: short stacking energy: -528.311 Base-Backbone interact. energy: -3.389 local terms energy: -605.651717 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -123.529 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -98.336 tors. eta vs tors. theta energy: -121.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1346.373016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.373016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.373016 (E_RNA) where: Base-Base interactions energy: -830.561 where: short stacking energy: -380.992 Base-Backbone interact. energy: -2.559 local terms energy: -513.252983 where: bonds (distance) C4'-P energy: -119.650 bonds (distance) P-C4' energy: -151.475 flat angles C4'-P-C4' energy: -123.768 flat angles P-C4'-P energy: -75.854 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: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1114.887483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.887483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.887483 (E_RNA) where: Base-Base interactions energy: -611.442 where: short stacking energy: -315.071 Base-Backbone interact. energy: 0.692 local terms energy: -504.138324 where: bonds (distance) C4'-P energy: -131.918 bonds (distance) P-C4' energy: -127.129 flat angles C4'-P-C4' energy: -123.255 flat angles P-C4'-P energy: -82.867 tors. eta vs tors. theta energy: -38.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2976.993699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.993699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.993699 (E_RNA) where: Base-Base interactions energy: -2094.367 where: short stacking energy: -878.373 Base-Backbone interact. energy: -2.866 local terms energy: -879.760545 where: bonds (distance) C4'-P energy: -178.054 bonds (distance) P-C4' energy: -159.397 flat angles C4'-P-C4' energy: -180.417 flat angles P-C4'-P energy: -120.687 tors. eta vs tors. theta energy: -241.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2838.302729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.302729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.302729 (E_RNA) where: Base-Base interactions energy: -1948.324 where: short stacking energy: -835.936 Base-Backbone interact. energy: -3.193 local terms energy: -886.784819 where: bonds (distance) C4'-P energy: -160.994 bonds (distance) P-C4' energy: -166.679 flat angles C4'-P-C4' energy: -198.596 flat angles P-C4'-P energy: -138.972 tors. eta vs tors. theta energy: -221.545 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: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2723.111332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.111332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.111332 (E_RNA) where: Base-Base interactions energy: -1893.163 where: short stacking energy: -797.356 Base-Backbone interact. energy: -5.186 local terms energy: -824.763097 where: bonds (distance) C4'-P energy: -140.626 bonds (distance) P-C4' energy: -165.575 flat angles C4'-P-C4' energy: -181.971 flat angles P-C4'-P energy: -113.748 tors. eta vs tors. theta energy: -222.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2623.654516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.654516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.654516 (E_RNA) where: Base-Base interactions energy: -1801.517 where: short stacking energy: -802.010 Base-Backbone interact. energy: -0.846 local terms energy: -821.291780 where: bonds (distance) C4'-P energy: -143.451 bonds (distance) P-C4' energy: -171.403 flat angles C4'-P-C4' energy: -168.767 flat angles P-C4'-P energy: -113.841 tors. eta vs tors. theta energy: -223.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2456.569009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.569009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.569009 (E_RNA) where: Base-Base interactions energy: -1697.744 where: short stacking energy: -721.958 Base-Backbone interact. energy: -3.883 local terms energy: -754.942053 where: bonds (distance) C4'-P energy: -147.956 bonds (distance) P-C4' energy: -166.973 flat angles C4'-P-C4' energy: -159.586 flat angles P-C4'-P energy: -87.593 tors. eta vs tors. theta energy: -192.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2314.055617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.055617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.055617 (E_RNA) where: Base-Base interactions energy: -1583.312 where: short stacking energy: -688.717 Base-Backbone interact. energy: -1.969 local terms energy: -728.774547 where: bonds (distance) C4'-P energy: -157.929 bonds (distance) P-C4' energy: -139.998 flat angles C4'-P-C4' energy: -166.979 flat angles P-C4'-P energy: -82.935 tors. eta vs tors. theta energy: -180.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2288.622326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.622326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.622326 (E_RNA) where: Base-Base interactions energy: -1553.322 where: short stacking energy: -659.021 Base-Backbone interact. energy: -1.940 local terms energy: -733.360663 where: bonds (distance) C4'-P energy: -160.134 bonds (distance) P-C4' energy: -137.458 flat angles C4'-P-C4' energy: -155.387 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -190.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1787.878521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.878521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.878521 (E_RNA) where: Base-Base interactions energy: -1180.056 where: short stacking energy: -504.882 Base-Backbone interact. energy: -0.226 local terms energy: -607.596718 where: bonds (distance) C4'-P energy: -140.029 bonds (distance) P-C4' energy: -146.036 flat angles C4'-P-C4' energy: -142.905 flat angles P-C4'-P energy: -82.746 tors. eta vs tors. theta energy: -95.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1278.758402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.758402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.758402 (E_RNA) where: Base-Base interactions energy: -759.637 where: short stacking energy: -370.005 Base-Backbone interact. energy: -2.981 local terms energy: -516.139950 where: bonds (distance) C4'-P energy: -134.034 bonds (distance) P-C4' energy: -124.161 flat angles C4'-P-C4' energy: -139.356 flat angles P-C4'-P energy: -65.982 tors. eta vs tors. theta energy: -52.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1129.473799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.473799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.473799 (E_RNA) where: Base-Base interactions energy: -672.271 where: short stacking energy: -335.045 Base-Backbone interact. energy: 1.010 local terms energy: -458.212719 where: bonds (distance) C4'-P energy: -138.812 bonds (distance) P-C4' energy: -131.552 flat angles C4'-P-C4' energy: -114.876 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -7.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2985.381711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.381711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.381711 (E_RNA) where: Base-Base interactions energy: -2107.583 where: short stacking energy: -860.840 Base-Backbone interact. energy: -5.527 local terms energy: -872.271531 where: bonds (distance) C4'-P energy: -148.703 bonds (distance) P-C4' energy: -173.559 flat angles C4'-P-C4' energy: -186.776 flat angles P-C4'-P energy: -121.987 tors. eta vs tors. theta energy: -241.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2868.599341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.599341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.599341 (E_RNA) where: Base-Base interactions energy: -2010.969 where: short stacking energy: -833.018 Base-Backbone interact. energy: -1.671 local terms energy: -855.958562 where: bonds (distance) C4'-P energy: -172.187 bonds (distance) P-C4' energy: -153.787 flat angles C4'-P-C4' energy: -176.762 flat angles P-C4'-P energy: -129.609 tors. eta vs tors. theta energy: -223.614 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: 3, replica: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2747.045271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.045271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.045271 (E_RNA) where: Base-Base interactions energy: -1929.537 where: short stacking energy: -824.239 Base-Backbone interact. energy: 5.405 local terms energy: -822.912997 where: bonds (distance) C4'-P energy: -151.311 bonds (distance) P-C4' energy: -161.160 flat angles C4'-P-C4' energy: -180.852 flat angles P-C4'-P energy: -108.114 tors. eta vs tors. theta energy: -221.477 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: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2628.084241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.084241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.084241 (E_RNA) where: Base-Base interactions energy: -1817.221 where: short stacking energy: -792.835 Base-Backbone interact. energy: -1.486 local terms energy: -809.377056 where: bonds (distance) C4'-P energy: -147.982 bonds (distance) P-C4' energy: -153.086 flat angles C4'-P-C4' energy: -174.740 flat angles P-C4'-P energy: -112.176 tors. eta vs tors. theta energy: -221.394 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: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2400.393864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.393864 (E_RNA) where: Base-Base interactions energy: -1647.667 where: short stacking energy: -717.567 Base-Backbone interact. energy: -1.904 local terms energy: -750.822944 where: bonds (distance) C4'-P energy: -155.203 bonds (distance) P-C4' energy: -161.453 flat angles C4'-P-C4' energy: -152.930 flat angles P-C4'-P energy: -96.069 tors. eta vs tors. theta energy: -185.167 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: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2402.156055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.156055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.156055 (E_RNA) where: Base-Base interactions energy: -1621.285 where: short stacking energy: -694.771 Base-Backbone interact. energy: -0.039 local terms energy: -780.832428 where: bonds (distance) C4'-P energy: -153.408 bonds (distance) P-C4' energy: -152.053 flat angles C4'-P-C4' energy: -187.735 flat angles P-C4'-P energy: -101.477 tors. eta vs tors. theta energy: -186.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2195.765841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.765841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.765841 (E_RNA) where: Base-Base interactions energy: -1504.205 where: short stacking energy: -624.250 Base-Backbone interact. energy: -3.994 local terms energy: -687.567004 where: bonds (distance) C4'-P energy: -128.671 bonds (distance) P-C4' energy: -141.394 flat angles C4'-P-C4' energy: -145.453 flat angles P-C4'-P energy: -113.186 tors. eta vs tors. theta energy: -158.864 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: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1887.107131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.107131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.107131 (E_RNA) where: Base-Base interactions energy: -1213.197 where: short stacking energy: -531.645 Base-Backbone interact. energy: -1.702 local terms energy: -672.208471 where: bonds (distance) C4'-P energy: -164.909 bonds (distance) P-C4' energy: -146.287 flat angles C4'-P-C4' energy: -138.616 flat angles P-C4'-P energy: -90.425 tors. eta vs tors. theta energy: -131.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1344.105504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.105504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.105504 (E_RNA) where: Base-Base interactions energy: -773.373 where: short stacking energy: -401.426 Base-Backbone interact. energy: 0.495 local terms energy: -571.226978 where: bonds (distance) C4'-P energy: -162.780 bonds (distance) P-C4' energy: -129.817 flat angles C4'-P-C4' energy: -134.806 flat angles P-C4'-P energy: -83.905 tors. eta vs tors. theta energy: -59.919 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: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1246.573305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.573305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.573305 (E_RNA) where: Base-Base interactions energy: -727.547 where: short stacking energy: -362.033 Base-Backbone interact. energy: 0.059 local terms energy: -519.085883 where: bonds (distance) C4'-P energy: -124.356 bonds (distance) P-C4' energy: -142.101 flat angles C4'-P-C4' energy: -134.853 flat angles P-C4'-P energy: -69.590 tors. eta vs tors. theta energy: -48.185 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: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3026.593747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.593747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.593747 (E_RNA) where: Base-Base interactions energy: -2132.229 where: short stacking energy: -880.346 Base-Backbone interact. energy: -1.129 local terms energy: -893.235689 where: bonds (distance) C4'-P energy: -170.599 bonds (distance) P-C4' energy: -174.615 flat angles C4'-P-C4' energy: -187.046 flat angles P-C4'-P energy: -124.287 tors. eta vs tors. theta energy: -236.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2856.117788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.117788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.117788 (E_RNA) where: Base-Base interactions energy: -1975.460 where: short stacking energy: -830.506 Base-Backbone interact. energy: 0.890 local terms energy: -881.547805 where: bonds (distance) C4'-P energy: -162.919 bonds (distance) P-C4' energy: -167.618 flat angles C4'-P-C4' energy: -189.738 flat angles P-C4'-P energy: -134.338 tors. eta vs tors. theta energy: -226.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2743.516618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.516618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.516618 (E_RNA) where: Base-Base interactions energy: -1940.865 where: short stacking energy: -806.718 Base-Backbone interact. energy: 2.168 local terms energy: -804.819378 where: bonds (distance) C4'-P energy: -137.252 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -175.918 flat angles P-C4'-P energy: -126.100 tors. eta vs tors. theta energy: -214.165 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: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2618.061003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.061003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.061003 (E_RNA) where: Base-Base interactions energy: -1790.168 where: short stacking energy: -804.153 Base-Backbone interact. energy: -3.094 local terms energy: -824.798745 where: bonds (distance) C4'-P energy: -164.363 bonds (distance) P-C4' energy: -163.753 flat angles C4'-P-C4' energy: -176.020 flat angles P-C4'-P energy: -107.186 tors. eta vs tors. theta energy: -213.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2432.194910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.194910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.194910 (E_RNA) where: Base-Base interactions energy: -1661.957 where: short stacking energy: -725.496 Base-Backbone interact. energy: -2.058 local terms energy: -768.180209 where: bonds (distance) C4'-P energy: -139.441 bonds (distance) P-C4' energy: -152.361 flat angles C4'-P-C4' energy: -175.672 flat angles P-C4'-P energy: -93.346 tors. eta vs tors. theta energy: -207.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2370.197225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.197225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.197225 (E_RNA) where: Base-Base interactions energy: -1651.832 where: short stacking energy: -684.468 Base-Backbone interact. energy: -3.238 local terms energy: -715.127718 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -155.016 flat angles C4'-P-C4' energy: -154.932 flat angles P-C4'-P energy: -92.199 tors. eta vs tors. theta energy: -176.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2116.047140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.047140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.047140 (E_RNA) where: Base-Base interactions energy: -1461.693 where: short stacking energy: -663.608 Base-Backbone interact. energy: -3.990 local terms energy: -650.364207 where: bonds (distance) C4'-P energy: -132.544 bonds (distance) P-C4' energy: -133.895 flat angles C4'-P-C4' energy: -149.616 flat angles P-C4'-P energy: -86.853 tors. eta vs tors. theta energy: -147.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1833.055257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.055257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.055257 (E_RNA) where: Base-Base interactions energy: -1190.002 where: short stacking energy: -521.963 Base-Backbone interact. energy: 0.312 local terms energy: -643.364889 where: bonds (distance) C4'-P energy: -140.491 bonds (distance) P-C4' energy: -147.342 flat angles C4'-P-C4' energy: -147.655 flat angles P-C4'-P energy: -88.406 tors. eta vs tors. theta energy: -119.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1242.543469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.543469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.543469 (E_RNA) where: Base-Base interactions energy: -764.678 where: short stacking energy: -364.538 Base-Backbone interact. energy: 3.778 local terms energy: -481.643306 where: bonds (distance) C4'-P energy: -127.578 bonds (distance) P-C4' energy: -131.306 flat angles C4'-P-C4' energy: -126.959 flat angles P-C4'-P energy: -63.812 tors. eta vs tors. theta energy: -31.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1156.572820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.572820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.572820 (E_RNA) where: Base-Base interactions energy: -657.048 where: short stacking energy: -337.345 Base-Backbone interact. energy: 4.697 local terms energy: -504.222617 where: bonds (distance) C4'-P energy: -123.749 bonds (distance) P-C4' energy: -142.895 flat angles C4'-P-C4' energy: -121.740 flat angles P-C4'-P energy: -97.419 tors. eta vs tors. theta energy: -18.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2968.682567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.682567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.682567 (E_RNA) where: Base-Base interactions energy: -2085.319 where: short stacking energy: -869.235 Base-Backbone interact. energy: -5.530 local terms energy: -877.834073 where: bonds (distance) C4'-P energy: -167.452 bonds (distance) P-C4' energy: -160.647 flat angles C4'-P-C4' energy: -189.225 flat angles P-C4'-P energy: -126.490 tors. eta vs tors. theta energy: -234.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2885.077881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.077881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.077881 (E_RNA) where: Base-Base interactions energy: -2039.003 where: short stacking energy: -862.478 Base-Backbone interact. energy: 0.546 local terms energy: -846.620858 where: bonds (distance) C4'-P energy: -134.355 bonds (distance) P-C4' energy: -168.273 flat angles C4'-P-C4' energy: -182.666 flat angles P-C4'-P energy: -119.824 tors. eta vs tors. theta energy: -241.503 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: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2767.164879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.164879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.164879 (E_RNA) where: Base-Base interactions energy: -1921.700 where: short stacking energy: -825.429 Base-Backbone interact. energy: -1.777 local terms energy: -843.687574 where: bonds (distance) C4'-P energy: -161.586 bonds (distance) P-C4' energy: -153.027 flat angles C4'-P-C4' energy: -182.036 flat angles P-C4'-P energy: -113.371 tors. eta vs tors. theta energy: -233.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2645.346892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.346892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.346892 (E_RNA) where: Base-Base interactions energy: -1811.453 where: short stacking energy: -792.845 Base-Backbone interact. energy: -2.870 local terms energy: -831.024606 where: bonds (distance) C4'-P energy: -158.071 bonds (distance) P-C4' energy: -158.014 flat angles C4'-P-C4' energy: -176.384 flat angles P-C4'-P energy: -119.981 tors. eta vs tors. theta energy: -218.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2385.888773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.888773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.888773 (E_RNA) where: Base-Base interactions energy: -1650.508 where: short stacking energy: -718.511 Base-Backbone interact. energy: -0.981 local terms energy: -734.399969 where: bonds (distance) C4'-P energy: -141.139 bonds (distance) P-C4' energy: -125.245 flat angles C4'-P-C4' energy: -170.763 flat angles P-C4'-P energy: -104.436 tors. eta vs tors. theta energy: -192.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2467.431719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.431719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.431719 (E_RNA) where: Base-Base interactions energy: -1725.961 where: short stacking energy: -753.874 Base-Backbone interact. energy: -2.137 local terms energy: -739.334348 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -142.600 flat angles C4'-P-C4' energy: -174.009 flat angles P-C4'-P energy: -108.515 tors. eta vs tors. theta energy: -186.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2119.619018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.619018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.619018 (E_RNA) where: Base-Base interactions energy: -1459.322 where: short stacking energy: -639.221 Base-Backbone interact. energy: 0.078 local terms energy: -660.374235 where: bonds (distance) C4'-P energy: -119.721 bonds (distance) P-C4' energy: -137.810 flat angles C4'-P-C4' energy: -153.877 flat angles P-C4'-P energy: -92.967 tors. eta vs tors. theta energy: -155.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1788.782891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.782891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.782891 (E_RNA) where: Base-Base interactions energy: -1176.743 where: short stacking energy: -522.854 Base-Backbone interact. energy: -7.118 local terms energy: -604.921961 where: bonds (distance) C4'-P energy: -121.621 bonds (distance) P-C4' energy: -135.811 flat angles C4'-P-C4' energy: -137.276 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: -122.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1286.991241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.991241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.991241 (E_RNA) where: Base-Base interactions energy: -767.000 where: short stacking energy: -371.926 Base-Backbone interact. energy: 4.144 local terms energy: -524.135692 where: bonds (distance) C4'-P energy: -132.435 bonds (distance) P-C4' energy: -124.361 flat angles C4'-P-C4' energy: -128.882 flat angles P-C4'-P energy: -89.923 tors. eta vs tors. theta energy: -48.535 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: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1116.045169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.045169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.045169 (E_RNA) where: Base-Base interactions energy: -618.188 where: short stacking energy: -324.698 Base-Backbone interact. energy: -0.650 local terms energy: -497.207146 where: bonds (distance) C4'-P energy: -139.400 bonds (distance) P-C4' energy: -138.467 flat angles C4'-P-C4' energy: -131.597 flat angles P-C4'-P energy: -72.000 tors. eta vs tors. theta energy: -15.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2991.176295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.176295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.176295 (E_RNA) where: Base-Base interactions energy: -2083.699 where: short stacking energy: -883.038 Base-Backbone interact. energy: -4.506 local terms energy: -902.971356 where: bonds (distance) C4'-P energy: -174.248 bonds (distance) P-C4' energy: -171.587 flat angles C4'-P-C4' energy: -179.865 flat angles P-C4'-P energy: -136.996 tors. eta vs tors. theta energy: -240.276 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: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2900.550769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.550769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.550769 (E_RNA) where: Base-Base interactions energy: -2021.884 where: short stacking energy: -841.159 Base-Backbone interact. energy: -3.605 local terms energy: -875.061885 where: bonds (distance) C4'-P energy: -150.495 bonds (distance) P-C4' energy: -170.807 flat angles C4'-P-C4' energy: -184.175 flat angles P-C4'-P energy: -137.670 tors. eta vs tors. theta energy: -231.914 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: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2746.120122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.120122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.120122 (E_RNA) where: Base-Base interactions energy: -1902.560 where: short stacking energy: -814.786 Base-Backbone interact. energy: -3.641 local terms energy: -839.918983 where: bonds (distance) C4'-P energy: -156.778 bonds (distance) P-C4' energy: -175.015 flat angles C4'-P-C4' energy: -177.002 flat angles P-C4'-P energy: -113.303 tors. eta vs tors. theta energy: -217.821 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: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2635.592688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.592688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.592688 (E_RNA) where: Base-Base interactions energy: -1812.270 where: short stacking energy: -801.689 Base-Backbone interact. energy: 1.874 local terms energy: -825.196501 where: bonds (distance) C4'-P energy: -145.711 bonds (distance) P-C4' energy: -169.563 flat angles C4'-P-C4' energy: -180.591 flat angles P-C4'-P energy: -104.545 tors. eta vs tors. theta energy: -224.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2444.922191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.922191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.922191 (E_RNA) where: Base-Base interactions energy: -1670.792 where: short stacking energy: -714.689 Base-Backbone interact. energy: -3.426 local terms energy: -770.703879 where: bonds (distance) C4'-P energy: -143.520 bonds (distance) P-C4' energy: -163.922 flat angles C4'-P-C4' energy: -162.772 flat angles P-C4'-P energy: -111.036 tors. eta vs tors. theta energy: -189.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2410.134051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.134051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.134051 (E_RNA) where: Base-Base interactions energy: -1697.774 where: short stacking energy: -738.709 Base-Backbone interact. energy: -1.852 local terms energy: -710.508893 where: bonds (distance) C4'-P energy: -133.379 bonds (distance) P-C4' energy: -116.743 flat angles C4'-P-C4' energy: -158.035 flat angles P-C4'-P energy: -115.365 tors. eta vs tors. theta energy: -186.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2112.895222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.895222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.895222 (E_RNA) where: Base-Base interactions energy: -1432.936 where: short stacking energy: -633.504 Base-Backbone interact. energy: -1.561 local terms energy: -678.398794 where: bonds (distance) C4'-P energy: -131.273 bonds (distance) P-C4' energy: -155.343 flat angles C4'-P-C4' energy: -151.001 flat angles P-C4'-P energy: -88.696 tors. eta vs tors. theta energy: -152.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1774.056043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.056043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.056043 (E_RNA) where: Base-Base interactions energy: -1139.930 where: short stacking energy: -512.889 Base-Backbone interact. energy: 1.850 local terms energy: -635.975631 where: bonds (distance) C4'-P energy: -141.953 bonds (distance) P-C4' energy: -146.195 flat angles C4'-P-C4' energy: -146.690 flat angles P-C4'-P energy: -95.057 tors. eta vs tors. theta energy: -106.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1298.656161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.656161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.656161 (E_RNA) where: Base-Base interactions energy: -768.415 where: short stacking energy: -386.151 Base-Backbone interact. energy: -2.705 local terms energy: -527.536592 where: bonds (distance) C4'-P energy: -143.196 bonds (distance) P-C4' energy: -146.979 flat angles C4'-P-C4' energy: -124.784 flat angles P-C4'-P energy: -63.885 tors. eta vs tors. theta energy: -48.694 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: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1148.766608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.766608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.766608 (E_RNA) where: Base-Base interactions energy: -671.639 where: short stacking energy: -363.631 Base-Backbone interact. energy: 0.308 local terms energy: -477.435283 where: bonds (distance) C4'-P energy: -122.409 bonds (distance) P-C4' energy: -145.636 flat angles C4'-P-C4' energy: -119.952 flat angles P-C4'-P energy: -55.855 tors. eta vs tors. theta energy: -33.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2980.430877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.430877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.430877 (E_RNA) where: Base-Base interactions energy: -2098.276 where: short stacking energy: -866.473 Base-Backbone interact. energy: -6.862 local terms energy: -875.292114 where: bonds (distance) C4'-P energy: -157.274 bonds (distance) P-C4' energy: -164.459 flat angles C4'-P-C4' energy: -195.862 flat angles P-C4'-P energy: -122.629 tors. eta vs tors. theta energy: -235.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2866.820066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.820066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.820066 (E_RNA) where: Base-Base interactions energy: -1999.469 where: short stacking energy: -824.990 Base-Backbone interact. energy: -2.840 local terms energy: -864.510425 where: bonds (distance) C4'-P energy: -164.055 bonds (distance) P-C4' energy: -172.491 flat angles C4'-P-C4' energy: -196.639 flat angles P-C4'-P energy: -109.548 tors. eta vs tors. theta energy: -221.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2714.198764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.198764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.198764 (E_RNA) where: Base-Base interactions energy: -1902.714 where: short stacking energy: -818.182 Base-Backbone interact. energy: 2.493 local terms energy: -813.977684 where: bonds (distance) C4'-P energy: -142.795 bonds (distance) P-C4' energy: -151.744 flat angles C4'-P-C4' energy: -194.000 flat angles P-C4'-P energy: -101.570 tors. eta vs tors. theta energy: -223.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2660.710106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.710106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.710106 (E_RNA) where: Base-Base interactions energy: -1810.058 where: short stacking energy: -796.894 Base-Backbone interact. energy: 0.829 local terms energy: -851.481387 where: bonds (distance) C4'-P energy: -154.217 bonds (distance) P-C4' energy: -175.768 flat angles C4'-P-C4' energy: -192.526 flat angles P-C4'-P energy: -106.524 tors. eta vs tors. theta energy: -222.447 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: 262 Temperature: 1.100000 Total energy: -2431.503894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.503894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.503894 (E_RNA) where: Base-Base interactions energy: -1665.099 where: short stacking energy: -740.539 Base-Backbone interact. energy: -0.513 local terms energy: -765.891341 where: bonds (distance) C4'-P energy: -126.567 bonds (distance) P-C4' energy: -156.651 flat angles C4'-P-C4' energy: -171.772 flat angles P-C4'-P energy: -112.728 tors. eta vs tors. theta energy: -198.173 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: 262 Temperature: 1.150000 Total energy: -2403.254068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.254068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.254068 (E_RNA) where: Base-Base interactions energy: -1659.657 where: short stacking energy: -710.718 Base-Backbone interact. energy: 0.032 local terms energy: -743.628716 where: bonds (distance) C4'-P energy: -128.067 bonds (distance) P-C4' energy: -134.877 flat angles C4'-P-C4' energy: -172.488 flat angles P-C4'-P energy: -117.882 tors. eta vs tors. theta energy: -190.315 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2134.245640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.245640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.245640 (E_RNA) where: Base-Base interactions energy: -1459.542 where: short stacking energy: -636.811 Base-Backbone interact. energy: -4.769 local terms energy: -669.935316 where: bonds (distance) C4'-P energy: -110.841 bonds (distance) P-C4' energy: -148.220 flat angles C4'-P-C4' energy: -156.056 flat angles P-C4'-P energy: -109.573 tors. eta vs tors. theta energy: -145.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1855.843127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.843127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.843127 (E_RNA) where: Base-Base interactions energy: -1194.178 where: short stacking energy: -520.065 Base-Backbone interact. energy: 4.597 local terms energy: -666.262226 where: bonds (distance) C4'-P energy: -146.087 bonds (distance) P-C4' energy: -138.122 flat angles C4'-P-C4' energy: -160.327 flat angles P-C4'-P energy: -113.066 tors. eta vs tors. theta energy: -108.661 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: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1219.123746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.123746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.123746 (E_RNA) where: Base-Base interactions energy: -691.776 where: short stacking energy: -349.214 Base-Backbone interact. energy: 0.317 local terms energy: -527.664350 where: bonds (distance) C4'-P energy: -139.367 bonds (distance) P-C4' energy: -139.942 flat angles C4'-P-C4' energy: -129.384 flat angles P-C4'-P energy: -83.254 tors. eta vs tors. theta energy: -35.717 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: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1149.777679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.777679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.777679 (E_RNA) where: Base-Base interactions energy: -658.950 where: short stacking energy: -352.103 Base-Backbone interact. energy: 0.766 local terms energy: -491.593266 where: bonds (distance) C4'-P energy: -126.553 bonds (distance) P-C4' energy: -127.423 flat angles C4'-P-C4' energy: -117.492 flat angles P-C4'-P energy: -85.890 tors. eta vs tors. theta energy: -34.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2975.821658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.821658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.821658 (E_RNA) where: Base-Base interactions energy: -2110.556 where: short stacking energy: -881.538 Base-Backbone interact. energy: -1.269 local terms energy: -863.996504 where: bonds (distance) C4'-P energy: -159.319 bonds (distance) P-C4' energy: -170.224 flat angles C4'-P-C4' energy: -183.530 flat angles P-C4'-P energy: -118.329 tors. eta vs tors. theta energy: -232.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2902.617494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.617494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.617494 (E_RNA) where: Base-Base interactions energy: -2051.178 where: short stacking energy: -880.500 Base-Backbone interact. energy: -2.461 local terms energy: -848.978229 where: bonds (distance) C4'-P energy: -153.270 bonds (distance) P-C4' energy: -155.410 flat angles C4'-P-C4' energy: -181.757 flat angles P-C4'-P energy: -122.078 tors. eta vs tors. theta energy: -236.463 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: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2741.357968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.357968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.357968 (E_RNA) where: Base-Base interactions energy: -1914.749 where: short stacking energy: -829.643 Base-Backbone interact. energy: -3.380 local terms energy: -823.229796 where: bonds (distance) C4'-P energy: -147.834 bonds (distance) P-C4' energy: -146.448 flat angles C4'-P-C4' energy: -178.438 flat angles P-C4'-P energy: -121.194 tors. eta vs tors. theta energy: -229.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2662.086054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.086054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.086054 (E_RNA) where: Base-Base interactions energy: -1829.825 where: short stacking energy: -810.500 Base-Backbone interact. energy: -2.102 local terms energy: -830.159472 where: bonds (distance) C4'-P energy: -144.067 bonds (distance) P-C4' energy: -137.576 flat angles C4'-P-C4' energy: -186.159 flat angles P-C4'-P energy: -123.523 tors. eta vs tors. theta energy: -238.834 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: 263 Temperature: 1.100000 Total energy: -2474.904327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.904327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.904327 (E_RNA) where: Base-Base interactions energy: -1691.069 where: short stacking energy: -736.842 Base-Backbone interact. energy: -0.640 local terms energy: -783.195781 where: bonds (distance) C4'-P energy: -137.131 bonds (distance) P-C4' energy: -157.890 flat angles C4'-P-C4' energy: -188.766 flat angles P-C4'-P energy: -118.031 tors. eta vs tors. theta energy: -181.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2390.105546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.105546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.105546 (E_RNA) where: Base-Base interactions energy: -1626.665 where: short stacking energy: -684.903 Base-Backbone interact. energy: -2.136 local terms energy: -761.304805 where: bonds (distance) C4'-P energy: -142.136 bonds (distance) P-C4' energy: -173.571 flat angles C4'-P-C4' energy: -164.973 flat angles P-C4'-P energy: -101.657 tors. eta vs tors. theta energy: -178.967 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: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2129.956738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.956738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.956738 (E_RNA) where: Base-Base interactions energy: -1440.628 where: short stacking energy: -603.184 Base-Backbone interact. energy: 1.512 local terms energy: -690.840642 where: bonds (distance) C4'-P energy: -122.321 bonds (distance) P-C4' energy: -158.676 flat angles C4'-P-C4' energy: -166.173 flat angles P-C4'-P energy: -103.039 tors. eta vs tors. theta energy: -140.632 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: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1856.203806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.203806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.203806 (E_RNA) where: Base-Base interactions energy: -1234.171 where: short stacking energy: -525.522 Base-Backbone interact. energy: -0.390 local terms energy: -621.642417 where: bonds (distance) C4'-P energy: -124.161 bonds (distance) P-C4' energy: -136.122 flat angles C4'-P-C4' energy: -144.467 flat angles P-C4'-P energy: -104.869 tors. eta vs tors. theta energy: -112.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1206.169622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.169622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.169622 (E_RNA) where: Base-Base interactions energy: -671.433 where: short stacking energy: -381.498 Base-Backbone interact. energy: -2.364 local terms energy: -532.373040 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -144.268 flat angles C4'-P-C4' energy: -150.056 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: -33.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1195.498828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.498828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.498828 (E_RNA) where: Base-Base interactions energy: -700.468 where: short stacking energy: -332.708 Base-Backbone interact. energy: -1.334 local terms energy: -493.696361 where: bonds (distance) C4'-P energy: -112.353 bonds (distance) P-C4' energy: -162.768 flat angles C4'-P-C4' energy: -115.326 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -43.044 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: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2990.678433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.678433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.678433 (E_RNA) where: Base-Base interactions energy: -2110.547 where: short stacking energy: -899.017 Base-Backbone interact. energy: -3.906 local terms energy: -876.224551 where: bonds (distance) C4'-P energy: -162.613 bonds (distance) P-C4' energy: -159.932 flat angles C4'-P-C4' energy: -193.668 flat angles P-C4'-P energy: -123.136 tors. eta vs tors. theta energy: -236.875 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: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2924.012878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.012878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.012878 (E_RNA) where: Base-Base interactions energy: -2033.427 where: short stacking energy: -861.636 Base-Backbone interact. energy: -5.580 local terms energy: -885.005737 where: bonds (distance) C4'-P energy: -161.773 bonds (distance) P-C4' energy: -174.876 flat angles C4'-P-C4' energy: -184.574 flat angles P-C4'-P energy: -130.703 tors. eta vs tors. theta energy: -233.080 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: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2732.793422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.793422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.793422 (E_RNA) where: Base-Base interactions energy: -1877.917 where: short stacking energy: -825.945 Base-Backbone interact. energy: -1.972 local terms energy: -852.903781 where: bonds (distance) C4'-P energy: -170.623 bonds (distance) P-C4' energy: -174.828 flat angles C4'-P-C4' energy: -180.719 flat angles P-C4'-P energy: -101.312 tors. eta vs tors. theta energy: -225.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2685.658235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.658235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.658235 (E_RNA) where: Base-Base interactions energy: -1845.517 where: short stacking energy: -793.470 Base-Backbone interact. energy: 2.040 local terms energy: -842.181477 where: bonds (distance) C4'-P energy: -152.984 bonds (distance) P-C4' energy: -163.697 flat angles C4'-P-C4' energy: -183.118 flat angles P-C4'-P energy: -119.034 tors. eta vs tors. theta energy: -223.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2423.413780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.413780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.413780 (E_RNA) where: Base-Base interactions energy: -1685.518 where: short stacking energy: -739.265 Base-Backbone interact. energy: 3.874 local terms energy: -741.770347 where: bonds (distance) C4'-P energy: -126.925 bonds (distance) P-C4' energy: -158.635 flat angles C4'-P-C4' energy: -158.489 flat angles P-C4'-P energy: -107.406 tors. eta vs tors. theta energy: -190.315 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: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2419.775088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.775088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.775088 (E_RNA) where: Base-Base interactions energy: -1632.001 where: short stacking energy: -677.332 Base-Backbone interact. energy: -1.788 local terms energy: -785.985235 where: bonds (distance) C4'-P energy: -163.653 bonds (distance) P-C4' energy: -153.882 flat angles C4'-P-C4' energy: -164.279 flat angles P-C4'-P energy: -114.708 tors. eta vs tors. theta energy: -189.463 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: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2191.809645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.809645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.809645 (E_RNA) where: Base-Base interactions energy: -1542.564 where: short stacking energy: -666.901 Base-Backbone interact. energy: 3.495 local terms energy: -652.740779 where: bonds (distance) C4'-P energy: -119.304 bonds (distance) P-C4' energy: -126.519 flat angles C4'-P-C4' energy: -155.540 flat angles P-C4'-P energy: -89.430 tors. eta vs tors. theta energy: -161.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1888.935482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.935482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.935482 (E_RNA) where: Base-Base interactions energy: -1253.609 where: short stacking energy: -553.857 Base-Backbone interact. energy: -1.616 local terms energy: -633.710622 where: bonds (distance) C4'-P energy: -125.789 bonds (distance) P-C4' energy: -144.506 flat angles C4'-P-C4' energy: -141.160 flat angles P-C4'-P energy: -94.277 tors. eta vs tors. theta energy: -127.978 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: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1230.719797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.719797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.719797 (E_RNA) where: Base-Base interactions energy: -719.789 where: short stacking energy: -357.223 Base-Backbone interact. energy: 5.977 local terms energy: -516.907581 where: bonds (distance) C4'-P energy: -133.734 bonds (distance) P-C4' energy: -131.512 flat angles C4'-P-C4' energy: -130.748 flat angles P-C4'-P energy: -86.282 tors. eta vs tors. theta energy: -34.632 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: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1160.619446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.619446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.619446 (E_RNA) where: Base-Base interactions energy: -714.026 where: short stacking energy: -333.635 Base-Backbone interact. energy: 5.097 local terms energy: -451.690628 where: bonds (distance) C4'-P energy: -126.657 bonds (distance) P-C4' energy: -144.148 flat angles C4'-P-C4' energy: -112.548 flat angles P-C4'-P energy: -44.379 tors. eta vs tors. theta energy: -23.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2994.486488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.486488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.486488 (E_RNA) where: Base-Base interactions energy: -2088.957 where: short stacking energy: -864.585 Base-Backbone interact. energy: -3.708 local terms energy: -901.821235 where: bonds (distance) C4'-P energy: -165.143 bonds (distance) P-C4' energy: -175.222 flat angles C4'-P-C4' energy: -182.320 flat angles P-C4'-P energy: -145.186 tors. eta vs tors. theta energy: -233.950 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: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2904.212492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.212492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.212492 (E_RNA) where: Base-Base interactions energy: -2051.062 where: short stacking energy: -856.394 Base-Backbone interact. energy: -3.648 local terms energy: -849.502519 where: bonds (distance) C4'-P energy: -144.121 bonds (distance) P-C4' energy: -168.320 flat angles C4'-P-C4' energy: -187.736 flat angles P-C4'-P energy: -123.389 tors. eta vs tors. theta energy: -225.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2741.691219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.691219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.691219 (E_RNA) where: Base-Base interactions energy: -1911.724 where: short stacking energy: -818.941 Base-Backbone interact. energy: -0.028 local terms energy: -829.938353 where: bonds (distance) C4'-P energy: -180.504 bonds (distance) P-C4' energy: -156.672 flat angles C4'-P-C4' energy: -161.847 flat angles P-C4'-P energy: -108.574 tors. eta vs tors. theta energy: -222.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2645.411734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.411734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.411734 (E_RNA) where: Base-Base interactions energy: -1828.757 where: short stacking energy: -804.700 Base-Backbone interact. energy: -1.704 local terms energy: -814.950115 where: bonds (distance) C4'-P energy: -134.411 bonds (distance) P-C4' energy: -156.518 flat angles C4'-P-C4' energy: -172.759 flat angles P-C4'-P energy: -124.297 tors. eta vs tors. theta energy: -226.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2438.388338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.388338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.388338 (E_RNA) where: Base-Base interactions energy: -1694.103 where: short stacking energy: -729.724 Base-Backbone interact. energy: -1.921 local terms energy: -742.364745 where: bonds (distance) C4'-P energy: -117.703 bonds (distance) P-C4' energy: -152.161 flat angles C4'-P-C4' energy: -164.034 flat angles P-C4'-P energy: -120.494 tors. eta vs tors. theta energy: -187.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2344.543741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.543741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.543741 (E_RNA) where: Base-Base interactions energy: -1630.187 where: short stacking energy: -686.953 Base-Backbone interact. energy: 3.376 local terms energy: -717.732661 where: bonds (distance) C4'-P energy: -137.492 bonds (distance) P-C4' energy: -143.406 flat angles C4'-P-C4' energy: -160.259 flat angles P-C4'-P energy: -106.982 tors. eta vs tors. theta energy: -169.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2182.385668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.385668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.385668 (E_RNA) where: Base-Base interactions energy: -1490.739 where: short stacking energy: -635.209 Base-Backbone interact. energy: -0.717 local terms energy: -690.929776 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -151.550 flat angles C4'-P-C4' energy: -165.356 flat angles P-C4'-P energy: -94.203 tors. eta vs tors. theta energy: -159.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1919.446769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.446769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.446769 (E_RNA) where: Base-Base interactions energy: -1256.369 where: short stacking energy: -554.745 Base-Backbone interact. energy: -3.292 local terms energy: -659.786288 where: bonds (distance) C4'-P energy: -108.625 bonds (distance) P-C4' energy: -168.725 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -94.676 tors. eta vs tors. theta energy: -132.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1251.929375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.929375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.929375 (E_RNA) where: Base-Base interactions energy: -769.364 where: short stacking energy: -378.596 Base-Backbone interact. energy: 1.196 local terms energy: -483.761429 where: bonds (distance) C4'-P energy: -132.776 bonds (distance) P-C4' energy: -135.235 flat angles C4'-P-C4' energy: -132.612 flat angles P-C4'-P energy: -56.454 tors. eta vs tors. theta energy: -26.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1176.027243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.027243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.027243 (E_RNA) where: Base-Base interactions energy: -703.958 where: short stacking energy: -349.553 Base-Backbone interact. energy: -1.983 local terms energy: -470.086259 where: bonds (distance) C4'-P energy: -138.160 bonds (distance) P-C4' energy: -134.624 flat angles C4'-P-C4' energy: -133.004 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -11.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2992.379177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.379177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.379177 (E_RNA) where: Base-Base interactions energy: -2124.665 where: short stacking energy: -898.479 Base-Backbone interact. energy: -4.818 local terms energy: -862.896179 where: bonds (distance) C4'-P energy: -150.219 bonds (distance) P-C4' energy: -176.491 flat angles C4'-P-C4' energy: -185.355 flat angles P-C4'-P energy: -119.458 tors. eta vs tors. theta energy: -231.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2931.038773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.038773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.038773 (E_RNA) where: Base-Base interactions energy: -2055.064 where: short stacking energy: -858.417 Base-Backbone interact. energy: -4.473 local terms energy: -871.502390 where: bonds (distance) C4'-P energy: -152.206 bonds (distance) P-C4' energy: -172.354 flat angles C4'-P-C4' energy: -181.623 flat angles P-C4'-P energy: -130.987 tors. eta vs tors. theta energy: -234.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2705.703386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.703386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.703386 (E_RNA) where: Base-Base interactions energy: -1867.704 where: short stacking energy: -812.765 Base-Backbone interact. energy: -5.085 local terms energy: -832.914956 where: bonds (distance) C4'-P energy: -144.362 bonds (distance) P-C4' energy: -145.130 flat angles C4'-P-C4' energy: -183.550 flat angles P-C4'-P energy: -122.158 tors. eta vs tors. theta energy: -237.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2645.190150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.190150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.190150 (E_RNA) where: Base-Base interactions energy: -1830.410 where: short stacking energy: -789.702 Base-Backbone interact. energy: 0.515 local terms energy: -815.295216 where: bonds (distance) C4'-P energy: -162.369 bonds (distance) P-C4' energy: -161.789 flat angles C4'-P-C4' energy: -168.164 flat angles P-C4'-P energy: -107.533 tors. eta vs tors. theta energy: -215.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2485.762944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.762944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.762944 (E_RNA) where: Base-Base interactions energy: -1755.672 where: short stacking energy: -733.835 Base-Backbone interact. energy: -3.728 local terms energy: -726.363134 where: bonds (distance) C4'-P energy: -148.340 bonds (distance) P-C4' energy: -141.903 flat angles C4'-P-C4' energy: -178.421 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -167.180 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: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2300.002188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.002188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.002188 (E_RNA) where: Base-Base interactions energy: -1556.442 where: short stacking energy: -679.624 Base-Backbone interact. energy: 1.576 local terms energy: -745.136452 where: bonds (distance) C4'-P energy: -152.532 bonds (distance) P-C4' energy: -148.701 flat angles C4'-P-C4' energy: -159.839 flat angles P-C4'-P energy: -103.277 tors. eta vs tors. theta energy: -180.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2116.316922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.316922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.316922 (E_RNA) where: Base-Base interactions energy: -1433.674 where: short stacking energy: -600.045 Base-Backbone interact. energy: 1.044 local terms energy: -683.686540 where: bonds (distance) C4'-P energy: -137.891 bonds (distance) P-C4' energy: -128.486 flat angles C4'-P-C4' energy: -159.012 flat angles P-C4'-P energy: -105.018 tors. eta vs tors. theta energy: -153.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1823.681050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.681050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.681050 (E_RNA) where: Base-Base interactions energy: -1241.125 where: short stacking energy: -530.103 Base-Backbone interact. energy: -1.154 local terms energy: -581.402652 where: bonds (distance) C4'-P energy: -114.311 bonds (distance) P-C4' energy: -134.884 flat angles C4'-P-C4' energy: -150.860 flat angles P-C4'-P energy: -73.128 tors. eta vs tors. theta energy: -108.221 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: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1264.858764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.858764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.858764 (E_RNA) where: Base-Base interactions energy: -789.313 where: short stacking energy: -384.495 Base-Backbone interact. energy: 6.119 local terms energy: -481.665011 where: bonds (distance) C4'-P energy: -120.837 bonds (distance) P-C4' energy: -144.724 flat angles C4'-P-C4' energy: -98.840 flat angles P-C4'-P energy: -70.109 tors. eta vs tors. theta energy: -47.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1238.075062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.075062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.075062 (E_RNA) where: Base-Base interactions energy: -707.687 where: short stacking energy: -341.645 Base-Backbone interact. energy: 1.729 local terms energy: -532.117505 where: bonds (distance) C4'-P energy: -144.117 bonds (distance) P-C4' energy: -143.644 flat angles C4'-P-C4' energy: -125.495 flat angles P-C4'-P energy: -81.706 tors. eta vs tors. theta energy: -37.155 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: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2999.456047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.456047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.456047 (E_RNA) where: Base-Base interactions energy: -2122.280 where: short stacking energy: -871.324 Base-Backbone interact. energy: -1.823 local terms energy: -875.353729 where: bonds (distance) C4'-P energy: -150.029 bonds (distance) P-C4' energy: -170.579 flat angles C4'-P-C4' energy: -180.936 flat angles P-C4'-P energy: -141.338 tors. eta vs tors. theta energy: -232.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2894.406045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.406045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.406045 (E_RNA) where: Base-Base interactions energy: -2017.998 where: short stacking energy: -879.780 Base-Backbone interact. energy: -3.465 local terms energy: -872.943578 where: bonds (distance) C4'-P energy: -155.657 bonds (distance) P-C4' energy: -165.094 flat angles C4'-P-C4' energy: -182.961 flat angles P-C4'-P energy: -129.631 tors. eta vs tors. theta energy: -239.601 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: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2758.002515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.002515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.002515 (E_RNA) where: Base-Base interactions energy: -1881.148 where: short stacking energy: -855.806 Base-Backbone interact. energy: -4.137 local terms energy: -872.717055 where: bonds (distance) C4'-P energy: -156.990 bonds (distance) P-C4' energy: -156.837 flat angles C4'-P-C4' energy: -193.200 flat angles P-C4'-P energy: -115.153 tors. eta vs tors. theta energy: -250.537 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: 267 Temperature: 1.050000 Total energy: -2611.842908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.842908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.842908 (E_RNA) where: Base-Base interactions energy: -1813.922 where: short stacking energy: -748.861 Base-Backbone interact. energy: -1.706 local terms energy: -796.214931 where: bonds (distance) C4'-P energy: -161.694 bonds (distance) P-C4' energy: -158.242 flat angles C4'-P-C4' energy: -162.440 flat angles P-C4'-P energy: -105.457 tors. eta vs tors. theta energy: -208.382 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: 267 Temperature: 1.100000 Total energy: -2512.121200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.121200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.121200 (E_RNA) where: Base-Base interactions energy: -1727.175 where: short stacking energy: -739.019 Base-Backbone interact. energy: -2.824 local terms energy: -782.122145 where: bonds (distance) C4'-P energy: -147.847 bonds (distance) P-C4' energy: -167.100 flat angles C4'-P-C4' energy: -156.213 flat angles P-C4'-P energy: -117.084 tors. eta vs tors. theta energy: -193.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2258.670805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.670805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.670805 (E_RNA) where: Base-Base interactions energy: -1524.414 where: short stacking energy: -668.232 Base-Backbone interact. energy: -3.551 local terms energy: -730.705886 where: bonds (distance) C4'-P energy: -146.878 bonds (distance) P-C4' energy: -139.970 flat angles C4'-P-C4' energy: -161.984 flat angles P-C4'-P energy: -125.151 tors. eta vs tors. theta energy: -156.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2180.507257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.507257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.507257 (E_RNA) where: Base-Base interactions energy: -1493.671 where: short stacking energy: -660.535 Base-Backbone interact. energy: -3.315 local terms energy: -683.521561 where: bonds (distance) C4'-P energy: -115.511 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -154.833 flat angles P-C4'-P energy: -107.244 tors. eta vs tors. theta energy: -170.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1829.740266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.740266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.740266 (E_RNA) where: Base-Base interactions energy: -1187.493 where: short stacking energy: -551.681 Base-Backbone interact. energy: -1.551 local terms energy: -640.696881 where: bonds (distance) C4'-P energy: -149.219 bonds (distance) P-C4' energy: -130.455 flat angles C4'-P-C4' energy: -146.826 flat angles P-C4'-P energy: -92.741 tors. eta vs tors. theta energy: -121.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1285.506437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.506437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.506437 (E_RNA) where: Base-Base interactions energy: -778.478 where: short stacking energy: -352.318 Base-Backbone interact. energy: 4.887 local terms energy: -511.915433 where: bonds (distance) C4'-P energy: -133.918 bonds (distance) P-C4' energy: -141.282 flat angles C4'-P-C4' energy: -134.176 flat angles P-C4'-P energy: -74.538 tors. eta vs tors. theta energy: -28.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1187.514272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.514272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.514272 (E_RNA) where: Base-Base interactions energy: -691.372 where: short stacking energy: -347.470 Base-Backbone interact. energy: 1.490 local terms energy: -497.631981 where: bonds (distance) C4'-P energy: -133.716 bonds (distance) P-C4' energy: -154.834 flat angles C4'-P-C4' energy: -109.579 flat angles P-C4'-P energy: -74.343 tors. eta vs tors. theta energy: -25.161 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: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3058.988753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.988753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.988753 (E_RNA) where: Base-Base interactions energy: -2156.620 where: short stacking energy: -857.505 Base-Backbone interact. energy: 1.805 local terms energy: -904.174043 where: bonds (distance) C4'-P energy: -176.251 bonds (distance) P-C4' energy: -164.511 flat angles C4'-P-C4' energy: -195.648 flat angles P-C4'-P energy: -134.749 tors. eta vs tors. theta energy: -233.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2916.003996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.003996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.003996 (E_RNA) where: Base-Base interactions energy: -2069.103 where: short stacking energy: -858.175 Base-Backbone interact. energy: -6.966 local terms energy: -839.934971 where: bonds (distance) C4'-P energy: -154.081 bonds (distance) P-C4' energy: -152.513 flat angles C4'-P-C4' energy: -183.075 flat angles P-C4'-P energy: -126.804 tors. eta vs tors. theta energy: -223.463 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: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2715.425606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.425606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.425606 (E_RNA) where: Base-Base interactions energy: -1866.593 where: short stacking energy: -817.302 Base-Backbone interact. energy: 2.083 local terms energy: -850.915486 where: bonds (distance) C4'-P energy: -154.872 bonds (distance) P-C4' energy: -161.699 flat angles C4'-P-C4' energy: -175.833 flat angles P-C4'-P energy: -114.469 tors. eta vs tors. theta energy: -244.043 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: 4, replica: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2593.719338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.719338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.719338 (E_RNA) where: Base-Base interactions energy: -1778.945 where: short stacking energy: -736.629 Base-Backbone interact. energy: -0.814 local terms energy: -813.960873 where: bonds (distance) C4'-P energy: -151.814 bonds (distance) P-C4' energy: -146.249 flat angles C4'-P-C4' energy: -176.949 flat angles P-C4'-P energy: -122.285 tors. eta vs tors. theta energy: -216.665 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: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2505.824276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.824276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.824276 (E_RNA) where: Base-Base interactions energy: -1743.338 where: short stacking energy: -748.116 Base-Backbone interact. energy: 1.904 local terms energy: -764.390443 where: bonds (distance) C4'-P energy: -154.204 bonds (distance) P-C4' energy: -150.986 flat angles C4'-P-C4' energy: -169.853 flat angles P-C4'-P energy: -105.963 tors. eta vs tors. theta energy: -183.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2325.009415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.009415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.009415 (E_RNA) where: Base-Base interactions energy: -1566.168 where: short stacking energy: -714.593 Base-Backbone interact. energy: -2.408 local terms energy: -756.433370 where: bonds (distance) C4'-P energy: -147.882 bonds (distance) P-C4' energy: -155.398 flat angles C4'-P-C4' energy: -178.718 flat angles P-C4'-P energy: -88.056 tors. eta vs tors. theta energy: -186.380 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: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2165.763621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.763621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.763621 (E_RNA) where: Base-Base interactions energy: -1465.857 where: short stacking energy: -649.383 Base-Backbone interact. energy: -2.589 local terms energy: -697.317519 where: bonds (distance) C4'-P energy: -135.518 bonds (distance) P-C4' energy: -131.849 flat angles C4'-P-C4' energy: -167.930 flat angles P-C4'-P energy: -99.687 tors. eta vs tors. theta energy: -162.333 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: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1760.926118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.926118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.926118 (E_RNA) where: Base-Base interactions energy: -1118.237 where: short stacking energy: -497.136 Base-Backbone interact. energy: -1.730 local terms energy: -640.959130 where: bonds (distance) C4'-P energy: -147.760 bonds (distance) P-C4' energy: -142.193 flat angles C4'-P-C4' energy: -154.685 flat angles P-C4'-P energy: -85.632 tors. eta vs tors. theta energy: -110.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1307.122928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.122928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.122928 (E_RNA) where: Base-Base interactions energy: -793.853 where: short stacking energy: -365.715 Base-Backbone interact. energy: -0.492 local terms energy: -512.778152 where: bonds (distance) C4'-P energy: -122.116 bonds (distance) P-C4' energy: -139.272 flat angles C4'-P-C4' energy: -125.578 flat angles P-C4'-P energy: -85.795 tors. eta vs tors. theta energy: -40.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1184.497173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.497173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.497173 (E_RNA) where: Base-Base interactions energy: -667.110 where: short stacking energy: -323.685 Base-Backbone interact. energy: 10.236 local terms energy: -527.622778 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -145.692 flat angles C4'-P-C4' energy: -138.106 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -24.050 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: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2975.722588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.722588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.722588 (E_RNA) where: Base-Base interactions energy: -2088.094 where: short stacking energy: -851.833 Base-Backbone interact. energy: -4.667 local terms energy: -882.961786 where: bonds (distance) C4'-P energy: -163.177 bonds (distance) P-C4' energy: -163.171 flat angles C4'-P-C4' energy: -195.676 flat angles P-C4'-P energy: -127.680 tors. eta vs tors. theta energy: -233.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2908.097204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.097204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.097204 (E_RNA) where: Base-Base interactions energy: -2036.846 where: short stacking energy: -871.802 Base-Backbone interact. energy: -3.062 local terms energy: -868.188655 where: bonds (distance) C4'-P energy: -153.617 bonds (distance) P-C4' energy: -161.722 flat angles C4'-P-C4' energy: -190.356 flat angles P-C4'-P energy: -125.560 tors. eta vs tors. theta energy: -236.934 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: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2730.928976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.928976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.928976 (E_RNA) where: Base-Base interactions energy: -1897.423 where: short stacking energy: -836.238 Base-Backbone interact. energy: -5.464 local terms energy: -828.041835 where: bonds (distance) C4'-P energy: -153.376 bonds (distance) P-C4' energy: -155.778 flat angles C4'-P-C4' energy: -167.691 flat angles P-C4'-P energy: -118.683 tors. eta vs tors. theta energy: -232.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2601.645941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.645941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.645941 (E_RNA) where: Base-Base interactions energy: -1784.065 where: short stacking energy: -764.594 Base-Backbone interact. energy: -2.789 local terms energy: -814.792299 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -173.382 flat angles C4'-P-C4' energy: -183.029 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -208.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2469.173385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.173385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.173385 (E_RNA) where: Base-Base interactions energy: -1730.732 where: short stacking energy: -744.781 Base-Backbone interact. energy: -2.973 local terms energy: -735.468131 where: bonds (distance) C4'-P energy: -122.121 bonds (distance) P-C4' energy: -152.069 flat angles C4'-P-C4' energy: -158.143 flat angles P-C4'-P energy: -102.121 tors. eta vs tors. theta energy: -201.015 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: 269 Temperature: 1.150000 Total energy: -2316.296250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.296250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.296250 (E_RNA) where: Base-Base interactions energy: -1558.430 where: short stacking energy: -672.838 Base-Backbone interact. energy: -1.896 local terms energy: -755.971037 where: bonds (distance) C4'-P energy: -144.068 bonds (distance) P-C4' energy: -137.328 flat angles C4'-P-C4' energy: -179.828 flat angles P-C4'-P energy: -107.820 tors. eta vs tors. theta energy: -186.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2127.408178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.408178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.408178 (E_RNA) where: Base-Base interactions energy: -1455.828 where: short stacking energy: -642.334 Base-Backbone interact. energy: -1.753 local terms energy: -669.827548 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -140.403 flat angles C4'-P-C4' energy: -164.327 flat angles P-C4'-P energy: -91.506 tors. eta vs tors. theta energy: -148.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1762.003853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.003853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.003853 (E_RNA) where: Base-Base interactions energy: -1168.383 where: short stacking energy: -505.167 Base-Backbone interact. energy: -1.839 local terms energy: -591.782577 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -126.742 flat angles C4'-P-C4' energy: -146.166 flat angles P-C4'-P energy: -92.177 tors. eta vs tors. theta energy: -102.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1339.178440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.178440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.178440 (E_RNA) where: Base-Base interactions energy: -805.951 where: short stacking energy: -363.934 Base-Backbone interact. energy: -3.842 local terms energy: -529.385374 where: bonds (distance) C4'-P energy: -124.598 bonds (distance) P-C4' energy: -145.182 flat angles C4'-P-C4' energy: -131.971 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -41.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1142.154784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.154784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.154784 (E_RNA) where: Base-Base interactions energy: -650.796 where: short stacking energy: -324.058 Base-Backbone interact. energy: -3.589 local terms energy: -487.769267 where: bonds (distance) C4'-P energy: -118.166 bonds (distance) P-C4' energy: -137.020 flat angles C4'-P-C4' energy: -134.650 flat angles P-C4'-P energy: -82.452 tors. eta vs tors. theta energy: -15.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2984.064114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.064114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.064114 (E_RNA) where: Base-Base interactions energy: -2083.702 where: short stacking energy: -853.313 Base-Backbone interact. energy: 0.374 local terms energy: -900.735869 where: bonds (distance) C4'-P energy: -165.432 bonds (distance) P-C4' energy: -177.430 flat angles C4'-P-C4' energy: -183.266 flat angles P-C4'-P energy: -127.373 tors. eta vs tors. theta energy: -247.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2910.222073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.222073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.222073 (E_RNA) where: Base-Base interactions energy: -2038.485 where: short stacking energy: -848.115 Base-Backbone interact. energy: -5.767 local terms energy: -865.969770 where: bonds (distance) C4'-P energy: -176.222 bonds (distance) P-C4' energy: -149.523 flat angles C4'-P-C4' energy: -189.914 flat angles P-C4'-P energy: -123.305 tors. eta vs tors. theta energy: -227.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2710.661627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.661627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.661627 (E_RNA) where: Base-Base interactions energy: -1831.782 where: short stacking energy: -812.175 Base-Backbone interact. energy: -2.887 local terms energy: -875.993096 where: bonds (distance) C4'-P energy: -167.715 bonds (distance) P-C4' energy: -173.162 flat angles C4'-P-C4' energy: -172.299 flat angles P-C4'-P energy: -121.049 tors. eta vs tors. theta energy: -241.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2605.184599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.184599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.184599 (E_RNA) where: Base-Base interactions energy: -1811.169 where: short stacking energy: -786.064 Base-Backbone interact. energy: 0.029 local terms energy: -794.044117 where: bonds (distance) C4'-P energy: -146.937 bonds (distance) P-C4' energy: -148.746 flat angles C4'-P-C4' energy: -181.115 flat angles P-C4'-P energy: -108.089 tors. eta vs tors. theta energy: -209.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2540.076698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.076698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.076698 (E_RNA) where: Base-Base interactions energy: -1730.697 where: short stacking energy: -767.118 Base-Backbone interact. energy: -3.245 local terms energy: -806.135139 where: bonds (distance) C4'-P energy: -154.000 bonds (distance) P-C4' energy: -158.276 flat angles C4'-P-C4' energy: -179.267 flat angles P-C4'-P energy: -106.919 tors. eta vs tors. theta energy: -207.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2298.902227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.902227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.902227 (E_RNA) where: Base-Base interactions energy: -1582.949 where: short stacking energy: -698.748 Base-Backbone interact. energy: -1.886 local terms energy: -714.066788 where: bonds (distance) C4'-P energy: -136.339 bonds (distance) P-C4' energy: -132.136 flat angles C4'-P-C4' energy: -156.505 flat angles P-C4'-P energy: -115.316 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: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2138.069725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.069725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.069725 (E_RNA) where: Base-Base interactions energy: -1445.683 where: short stacking energy: -626.783 Base-Backbone interact. energy: 2.897 local terms energy: -695.283478 where: bonds (distance) C4'-P energy: -128.204 bonds (distance) P-C4' energy: -158.240 flat angles C4'-P-C4' energy: -157.190 flat angles P-C4'-P energy: -95.895 tors. eta vs tors. theta energy: -155.754 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: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1733.343750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.343750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.343750 (E_RNA) where: Base-Base interactions energy: -1117.617 where: short stacking energy: -506.510 Base-Backbone interact. energy: -3.932 local terms energy: -611.794552 where: bonds (distance) C4'-P energy: -138.567 bonds (distance) P-C4' energy: -143.323 flat angles C4'-P-C4' energy: -157.090 flat angles P-C4'-P energy: -79.089 tors. eta vs tors. theta energy: -93.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1378.178798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.178798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.178798 (E_RNA) where: Base-Base interactions energy: -886.872 where: short stacking energy: -423.130 Base-Backbone interact. energy: 1.902 local terms energy: -493.208551 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -136.592 flat angles C4'-P-C4' energy: -117.285 flat angles P-C4'-P energy: -50.604 tors. eta vs tors. theta energy: -62.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1200.399903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.399903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.399903 (E_RNA) where: Base-Base interactions energy: -705.777 where: short stacking energy: -331.028 Base-Backbone interact. energy: 4.317 local terms energy: -498.939283 where: bonds (distance) C4'-P energy: -152.618 bonds (distance) P-C4' energy: -136.601 flat angles C4'-P-C4' energy: -119.576 flat angles P-C4'-P energy: -70.878 tors. eta vs tors. theta energy: -19.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2999.646463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.646463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.646463 (E_RNA) where: Base-Base interactions energy: -2118.104 where: short stacking energy: -885.169 Base-Backbone interact. energy: -6.938 local terms energy: -874.605109 where: bonds (distance) C4'-P energy: -149.699 bonds (distance) P-C4' energy: -162.752 flat angles C4'-P-C4' energy: -193.875 flat angles P-C4'-P energy: -121.346 tors. eta vs tors. theta energy: -246.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2919.912989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.912989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.912989 (E_RNA) where: Base-Base interactions energy: -2031.832 where: short stacking energy: -816.358 Base-Backbone interact. energy: -2.255 local terms energy: -885.825594 where: bonds (distance) C4'-P energy: -168.966 bonds (distance) P-C4' energy: -178.895 flat angles C4'-P-C4' energy: -189.853 flat angles P-C4'-P energy: -117.421 tors. eta vs tors. theta energy: -230.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2695.758300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.758300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.758300 (E_RNA) where: Base-Base interactions energy: -1860.085 where: short stacking energy: -834.560 Base-Backbone interact. energy: -2.933 local terms energy: -832.740466 where: bonds (distance) C4'-P energy: -146.150 bonds (distance) P-C4' energy: -169.267 flat angles C4'-P-C4' energy: -174.624 flat angles P-C4'-P energy: -111.831 tors. eta vs tors. theta energy: -230.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2602.124639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.124639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.124639 (E_RNA) where: Base-Base interactions energy: -1799.059 where: short stacking energy: -765.182 Base-Backbone interact. energy: -3.639 local terms energy: -799.425967 where: bonds (distance) C4'-P energy: -148.653 bonds (distance) P-C4' energy: -162.890 flat angles C4'-P-C4' energy: -184.425 flat angles P-C4'-P energy: -105.992 tors. eta vs tors. theta energy: -197.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2484.423911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.423911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.423911 (E_RNA) where: Base-Base interactions energy: -1710.527 where: short stacking energy: -747.503 Base-Backbone interact. energy: 0.887 local terms energy: -774.783133 where: bonds (distance) C4'-P energy: -143.958 bonds (distance) P-C4' energy: -150.849 flat angles C4'-P-C4' energy: -166.812 flat angles P-C4'-P energy: -122.485 tors. eta vs tors. theta energy: -190.679 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: 271 Temperature: 1.150000 Total energy: -2242.613657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.613657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.613657 (E_RNA) where: Base-Base interactions energy: -1491.171 where: short stacking energy: -624.054 Base-Backbone interact. energy: -2.659 local terms energy: -748.783020 where: bonds (distance) C4'-P energy: -160.011 bonds (distance) P-C4' energy: -155.692 flat angles C4'-P-C4' energy: -158.645 flat angles P-C4'-P energy: -122.459 tors. eta vs tors. theta energy: -151.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2107.651467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.651467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.651467 (E_RNA) where: Base-Base interactions energy: -1394.407 where: short stacking energy: -608.972 Base-Backbone interact. energy: -0.476 local terms energy: -712.767956 where: bonds (distance) C4'-P energy: -147.020 bonds (distance) P-C4' energy: -148.265 flat angles C4'-P-C4' energy: -176.914 flat angles P-C4'-P energy: -97.641 tors. eta vs tors. theta energy: -142.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1691.395347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.395347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.395347 (E_RNA) where: Base-Base interactions energy: -1097.007 where: short stacking energy: -480.985 Base-Backbone interact. energy: 2.018 local terms energy: -596.405598 where: bonds (distance) C4'-P energy: -140.000 bonds (distance) P-C4' energy: -134.435 flat angles C4'-P-C4' energy: -148.681 flat angles P-C4'-P energy: -76.585 tors. eta vs tors. theta energy: -96.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1383.982189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.982189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.982189 (E_RNA) where: Base-Base interactions energy: -843.554 where: short stacking energy: -396.109 Base-Backbone interact. energy: 2.444 local terms energy: -542.872638 where: bonds (distance) C4'-P energy: -124.560 bonds (distance) P-C4' energy: -159.612 flat angles C4'-P-C4' energy: -133.310 flat angles P-C4'-P energy: -66.578 tors. eta vs tors. theta energy: -58.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1142.746595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.746595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.746595 (E_RNA) where: Base-Base interactions energy: -639.285 where: short stacking energy: -320.521 Base-Backbone interact. energy: -0.693 local terms energy: -502.768008 where: bonds (distance) C4'-P energy: -135.711 bonds (distance) P-C4' energy: -144.274 flat angles C4'-P-C4' energy: -130.202 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: -23.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2962.396987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.396987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.396987 (E_RNA) where: Base-Base interactions energy: -2094.429 where: short stacking energy: -852.317 Base-Backbone interact. energy: -1.984 local terms energy: -865.983823 where: bonds (distance) C4'-P energy: -153.203 bonds (distance) P-C4' energy: -165.409 flat angles C4'-P-C4' energy: -187.460 flat angles P-C4'-P energy: -129.201 tors. eta vs tors. theta energy: -230.710 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: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2943.183657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.183657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.183657 (E_RNA) where: Base-Base interactions energy: -2061.224 where: short stacking energy: -842.631 Base-Backbone interact. energy: -4.188 local terms energy: -877.771603 where: bonds (distance) C4'-P energy: -180.278 bonds (distance) P-C4' energy: -145.717 flat angles C4'-P-C4' energy: -188.401 flat angles P-C4'-P energy: -132.923 tors. eta vs tors. theta energy: -230.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2741.546449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.546449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.546449 (E_RNA) where: Base-Base interactions energy: -1858.255 where: short stacking energy: -831.122 Base-Backbone interact. energy: -3.244 local terms energy: -880.047468 where: bonds (distance) C4'-P energy: -162.535 bonds (distance) P-C4' energy: -160.098 flat angles C4'-P-C4' energy: -186.403 flat angles P-C4'-P energy: -121.137 tors. eta vs tors. theta energy: -249.875 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: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2652.939968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.939968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.939968 (E_RNA) where: Base-Base interactions energy: -1849.301 where: short stacking energy: -804.484 Base-Backbone interact. energy: -2.088 local terms energy: -801.551158 where: bonds (distance) C4'-P energy: -166.971 bonds (distance) P-C4' energy: -136.926 flat angles C4'-P-C4' energy: -181.000 flat angles P-C4'-P energy: -100.623 tors. eta vs tors. theta energy: -216.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2517.946348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.946348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.946348 (E_RNA) where: Base-Base interactions energy: -1737.616 where: short stacking energy: -740.696 Base-Backbone interact. energy: -1.366 local terms energy: -778.963570 where: bonds (distance) C4'-P energy: -149.824 bonds (distance) P-C4' energy: -157.796 flat angles C4'-P-C4' energy: -168.994 flat angles P-C4'-P energy: -105.924 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: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2293.522737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.522737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.522737 (E_RNA) where: Base-Base interactions energy: -1552.512 where: short stacking energy: -668.977 Base-Backbone interact. energy: -2.940 local terms energy: -738.070782 where: bonds (distance) C4'-P energy: -136.192 bonds (distance) P-C4' energy: -161.451 flat angles C4'-P-C4' energy: -167.210 flat angles P-C4'-P energy: -107.284 tors. eta vs tors. theta energy: -165.934 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: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2116.383571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.383571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.383571 (E_RNA) where: Base-Base interactions energy: -1410.870 where: short stacking energy: -624.137 Base-Backbone interact. energy: -4.147 local terms energy: -701.366685 where: bonds (distance) C4'-P energy: -144.294 bonds (distance) P-C4' energy: -152.256 flat angles C4'-P-C4' energy: -159.396 flat angles P-C4'-P energy: -99.042 tors. eta vs tors. theta energy: -146.379 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: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1811.088504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.088504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.088504 (E_RNA) where: Base-Base interactions energy: -1171.153 where: short stacking energy: -535.527 Base-Backbone interact. energy: -2.545 local terms energy: -637.390379 where: bonds (distance) C4'-P energy: -127.939 bonds (distance) P-C4' energy: -154.473 flat angles C4'-P-C4' energy: -151.722 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -110.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1387.657016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.657016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.657016 (E_RNA) where: Base-Base interactions energy: -856.784 where: short stacking energy: -375.189 Base-Backbone interact. energy: 2.293 local terms energy: -533.166033 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -159.416 flat angles C4'-P-C4' energy: -129.502 flat angles P-C4'-P energy: -75.800 tors. eta vs tors. theta energy: -42.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1117.431144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.431144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.431144 (E_RNA) where: Base-Base interactions energy: -669.102 where: short stacking energy: -305.699 Base-Backbone interact. energy: 10.002 local terms energy: -458.330594 where: bonds (distance) C4'-P energy: -117.130 bonds (distance) P-C4' energy: -137.468 flat angles C4'-P-C4' energy: -95.882 flat angles P-C4'-P energy: -88.615 tors. eta vs tors. theta energy: -19.235 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: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2977.514357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.514357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.514357 (E_RNA) where: Base-Base interactions energy: -2085.514 where: short stacking energy: -855.497 Base-Backbone interact. energy: -4.316 local terms energy: -887.684647 where: bonds (distance) C4'-P energy: -166.695 bonds (distance) P-C4' energy: -176.280 flat angles C4'-P-C4' energy: -174.325 flat angles P-C4'-P energy: -128.589 tors. eta vs tors. theta energy: -241.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2875.624133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.624133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.624133 (E_RNA) where: Base-Base interactions energy: -2027.481 where: short stacking energy: -831.767 Base-Backbone interact. energy: -5.937 local terms energy: -842.206300 where: bonds (distance) C4'-P energy: -140.964 bonds (distance) P-C4' energy: -164.687 flat angles C4'-P-C4' energy: -187.385 flat angles P-C4'-P energy: -128.546 tors. eta vs tors. theta energy: -220.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2692.186634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.186634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.186634 (E_RNA) where: Base-Base interactions energy: -1849.095 where: short stacking energy: -832.916 Base-Backbone interact. energy: -0.681 local terms energy: -842.410669 where: bonds (distance) C4'-P energy: -156.104 bonds (distance) P-C4' energy: -157.931 flat angles C4'-P-C4' energy: -171.676 flat angles P-C4'-P energy: -123.757 tors. eta vs tors. theta energy: -232.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2623.157261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.157261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.157261 (E_RNA) where: Base-Base interactions energy: -1817.740 where: short stacking energy: -785.887 Base-Backbone interact. energy: 8.252 local terms energy: -813.670087 where: bonds (distance) C4'-P energy: -163.573 bonds (distance) P-C4' energy: -150.632 flat angles C4'-P-C4' energy: -166.068 flat angles P-C4'-P energy: -115.271 tors. eta vs tors. theta energy: -218.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2497.260071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.260071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.260071 (E_RNA) where: Base-Base interactions energy: -1746.751 where: short stacking energy: -730.169 Base-Backbone interact. energy: 0.592 local terms energy: -751.101142 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -149.302 flat angles C4'-P-C4' energy: -171.408 flat angles P-C4'-P energy: -99.643 tors. eta vs tors. theta energy: -205.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2287.902822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.902822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.902822 (E_RNA) where: Base-Base interactions energy: -1559.192 where: short stacking energy: -706.225 Base-Backbone interact. energy: -1.663 local terms energy: -727.047683 where: bonds (distance) C4'-P energy: -144.929 bonds (distance) P-C4' energy: -129.472 flat angles C4'-P-C4' energy: -164.811 flat angles P-C4'-P energy: -104.296 tors. eta vs tors. theta energy: -183.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2219.638384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.638384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.638384 (E_RNA) where: Base-Base interactions energy: -1506.343 where: short stacking energy: -646.655 Base-Backbone interact. energy: -4.259 local terms energy: -709.036583 where: bonds (distance) C4'-P energy: -128.921 bonds (distance) P-C4' energy: -155.875 flat angles C4'-P-C4' energy: -148.180 flat angles P-C4'-P energy: -93.598 tors. eta vs tors. theta energy: -182.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1777.857186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.857186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.857186 (E_RNA) where: Base-Base interactions energy: -1169.068 where: short stacking energy: -512.921 Base-Backbone interact. energy: 0.136 local terms energy: -608.925485 where: bonds (distance) C4'-P energy: -129.698 bonds (distance) P-C4' energy: -137.839 flat angles C4'-P-C4' energy: -150.456 flat angles P-C4'-P energy: -92.038 tors. eta vs tors. theta energy: -98.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1356.386122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.386122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.386122 (E_RNA) where: Base-Base interactions energy: -849.576 where: short stacking energy: -358.473 Base-Backbone interact. energy: 0.600 local terms energy: -507.410139 where: bonds (distance) C4'-P energy: -133.782 bonds (distance) P-C4' energy: -127.060 flat angles C4'-P-C4' energy: -142.969 flat angles P-C4'-P energy: -68.012 tors. eta vs tors. theta energy: -35.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1140.981793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.981793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.981793 (E_RNA) where: Base-Base interactions energy: -688.573 where: short stacking energy: -319.910 Base-Backbone interact. energy: 5.739 local terms energy: -458.147442 where: bonds (distance) C4'-P energy: -116.231 bonds (distance) P-C4' energy: -126.102 flat angles C4'-P-C4' energy: -121.122 flat angles P-C4'-P energy: -72.684 tors. eta vs tors. theta energy: -22.010 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2954.412106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.412106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.412106 (E_RNA) where: Base-Base interactions energy: -2058.973 where: short stacking energy: -855.009 Base-Backbone interact. energy: -3.912 local terms energy: -891.527449 where: bonds (distance) C4'-P energy: -160.328 bonds (distance) P-C4' energy: -170.416 flat angles C4'-P-C4' energy: -198.890 flat angles P-C4'-P energy: -123.865 tors. eta vs tors. theta energy: -238.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2894.196954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.196954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.196954 (E_RNA) where: Base-Base interactions energy: -2025.016 where: short stacking energy: -846.670 Base-Backbone interact. energy: -3.789 local terms energy: -865.392170 where: bonds (distance) C4'-P energy: -157.639 bonds (distance) P-C4' energy: -166.333 flat angles C4'-P-C4' energy: -179.525 flat angles P-C4'-P energy: -129.240 tors. eta vs tors. theta energy: -232.657 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: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2687.654988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.654988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.654988 (E_RNA) where: Base-Base interactions energy: -1876.609 where: short stacking energy: -824.754 Base-Backbone interact. energy: -5.559 local terms energy: -805.486543 where: bonds (distance) C4'-P energy: -137.775 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -179.156 flat angles P-C4'-P energy: -112.210 tors. eta vs tors. theta energy: -224.167 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: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2655.770291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.770291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.770291 (E_RNA) where: Base-Base interactions energy: -1839.584 where: short stacking energy: -782.594 Base-Backbone interact. energy: -2.260 local terms energy: -813.926754 where: bonds (distance) C4'-P energy: -159.809 bonds (distance) P-C4' energy: -165.012 flat angles C4'-P-C4' energy: -156.670 flat angles P-C4'-P energy: -118.270 tors. eta vs tors. theta energy: -214.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2455.783743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.783743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.783743 (E_RNA) where: Base-Base interactions energy: -1688.511 where: short stacking energy: -730.214 Base-Backbone interact. energy: -3.910 local terms energy: -763.362683 where: bonds (distance) C4'-P energy: -121.035 bonds (distance) P-C4' energy: -157.502 flat angles C4'-P-C4' energy: -182.119 flat angles P-C4'-P energy: -101.224 tors. eta vs tors. theta energy: -201.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2281.610603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.610603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.610603 (E_RNA) where: Base-Base interactions energy: -1576.680 where: short stacking energy: -702.569 Base-Backbone interact. energy: -0.455 local terms energy: -704.475403 where: bonds (distance) C4'-P energy: -141.734 bonds (distance) P-C4' energy: -144.170 flat angles C4'-P-C4' energy: -159.120 flat angles P-C4'-P energy: -75.083 tors. eta vs tors. theta energy: -184.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2134.495552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.495552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.495552 (E_RNA) where: Base-Base interactions energy: -1470.147 where: short stacking energy: -622.948 Base-Backbone interact. energy: 0.214 local terms energy: -664.562777 where: bonds (distance) C4'-P energy: -144.776 bonds (distance) P-C4' energy: -149.486 flat angles C4'-P-C4' energy: -142.580 flat angles P-C4'-P energy: -82.540 tors. eta vs tors. theta energy: -145.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1779.566708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.566708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.566708 (E_RNA) where: Base-Base interactions energy: -1158.960 where: short stacking energy: -517.618 Base-Backbone interact. energy: -0.531 local terms energy: -620.075724 where: bonds (distance) C4'-P energy: -106.362 bonds (distance) P-C4' energy: -145.489 flat angles C4'-P-C4' energy: -152.511 flat angles P-C4'-P energy: -97.720 tors. eta vs tors. theta energy: -117.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1427.063896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.063896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.063896 (E_RNA) where: Base-Base interactions energy: -911.040 where: short stacking energy: -397.757 Base-Backbone interact. energy: 3.589 local terms energy: -519.612777 where: bonds (distance) C4'-P energy: -141.473 bonds (distance) P-C4' energy: -131.478 flat angles C4'-P-C4' energy: -116.346 flat angles P-C4'-P energy: -80.181 tors. eta vs tors. theta energy: -50.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1206.323504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.323504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.323504 (E_RNA) where: Base-Base interactions energy: -700.023 where: short stacking energy: -332.463 Base-Backbone interact. energy: -0.263 local terms energy: -506.038131 where: bonds (distance) C4'-P energy: -132.853 bonds (distance) P-C4' energy: -136.855 flat angles C4'-P-C4' energy: -133.374 flat angles P-C4'-P energy: -70.061 tors. eta vs tors. theta energy: -32.896 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: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2986.348644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.348644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.348644 (E_RNA) where: Base-Base interactions energy: -2092.856 where: short stacking energy: -863.899 Base-Backbone interact. energy: -7.676 local terms energy: -885.816816 where: bonds (distance) C4'-P energy: -175.669 bonds (distance) P-C4' energy: -162.020 flat angles C4'-P-C4' energy: -196.693 flat angles P-C4'-P energy: -118.380 tors. eta vs tors. theta energy: -233.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2919.949021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.949021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.949021 (E_RNA) where: Base-Base interactions energy: -2037.385 where: short stacking energy: -874.563 Base-Backbone interact. energy: -0.449 local terms energy: -882.115782 where: bonds (distance) C4'-P energy: -167.616 bonds (distance) P-C4' energy: -160.474 flat angles C4'-P-C4' energy: -173.868 flat angles P-C4'-P energy: -129.060 tors. eta vs tors. theta energy: -251.097 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: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2728.925932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.925932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.925932 (E_RNA) where: Base-Base interactions energy: -1907.206 where: short stacking energy: -827.058 Base-Backbone interact. energy: -4.729 local terms energy: -816.990915 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -144.252 flat angles C4'-P-C4' energy: -187.392 flat angles P-C4'-P energy: -118.708 tors. eta vs tors. theta energy: -224.095 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: 10 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2675.871002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.871002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.871002 (E_RNA) where: Base-Base interactions energy: -1862.890 where: short stacking energy: -774.650 Base-Backbone interact. energy: -6.036 local terms energy: -806.945366 where: bonds (distance) C4'-P energy: -126.908 bonds (distance) P-C4' energy: -149.630 flat angles C4'-P-C4' energy: -199.024 flat angles P-C4'-P energy: -119.239 tors. eta vs tors. theta energy: -212.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2455.584894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.584894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.584894 (E_RNA) where: Base-Base interactions energy: -1672.703 where: short stacking energy: -738.577 Base-Backbone interact. energy: -5.537 local terms energy: -777.344451 where: bonds (distance) C4'-P energy: -142.330 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -163.056 flat angles P-C4'-P energy: -118.094 tors. eta vs tors. theta energy: -193.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2324.913086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.913086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.913086 (E_RNA) where: Base-Base interactions energy: -1593.909 where: short stacking energy: -680.080 Base-Backbone interact. energy: -1.064 local terms energy: -729.939926 where: bonds (distance) C4'-P energy: -155.584 bonds (distance) P-C4' energy: -142.238 flat angles C4'-P-C4' energy: -154.160 flat angles P-C4'-P energy: -104.604 tors. eta vs tors. theta energy: -173.354 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: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2161.803193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.803193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.803193 (E_RNA) where: Base-Base interactions energy: -1453.857 where: short stacking energy: -655.716 Base-Backbone interact. energy: -2.865 local terms energy: -705.081508 where: bonds (distance) C4'-P energy: -131.863 bonds (distance) P-C4' energy: -143.417 flat angles C4'-P-C4' energy: -167.259 flat angles P-C4'-P energy: -93.888 tors. eta vs tors. theta energy: -168.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1783.694961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.694961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.694961 (E_RNA) where: Base-Base interactions energy: -1183.381 where: short stacking energy: -525.132 Base-Backbone interact. energy: -0.318 local terms energy: -599.995860 where: bonds (distance) C4'-P energy: -128.598 bonds (distance) P-C4' energy: -133.553 flat angles C4'-P-C4' energy: -145.150 flat angles P-C4'-P energy: -71.460 tors. eta vs tors. theta energy: -121.235 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: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1352.060847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.060847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.060847 (E_RNA) where: Base-Base interactions energy: -819.386 where: short stacking energy: -397.963 Base-Backbone interact. energy: -3.126 local terms energy: -529.549007 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -126.563 flat angles C4'-P-C4' energy: -132.281 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -49.842 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: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1153.069481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.069481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.069481 (E_RNA) where: Base-Base interactions energy: -687.380 where: short stacking energy: -342.230 Base-Backbone interact. energy: -0.459 local terms energy: -465.230166 where: bonds (distance) C4'-P energy: -122.622 bonds (distance) P-C4' energy: -131.609 flat angles C4'-P-C4' energy: -121.916 flat angles P-C4'-P energy: -56.615 tors. eta vs tors. theta energy: -32.469 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: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2982.182660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.182660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.182660 (E_RNA) where: Base-Base interactions energy: -2117.444 where: short stacking energy: -848.748 Base-Backbone interact. energy: 5.278 local terms energy: -870.017334 where: bonds (distance) C4'-P energy: -163.713 bonds (distance) P-C4' energy: -154.879 flat angles C4'-P-C4' energy: -180.722 flat angles P-C4'-P energy: -129.786 tors. eta vs tors. theta energy: -240.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2893.347519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.347519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.347519 (E_RNA) where: Base-Base interactions energy: -2024.470 where: short stacking energy: -861.407 Base-Backbone interact. energy: -3.552 local terms energy: -865.325621 where: bonds (distance) C4'-P energy: -160.715 bonds (distance) P-C4' energy: -162.502 flat angles C4'-P-C4' energy: -174.752 flat angles P-C4'-P energy: -125.168 tors. eta vs tors. theta energy: -242.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2773.835695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.835695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.835695 (E_RNA) where: Base-Base interactions energy: -1911.263 where: short stacking energy: -827.590 Base-Backbone interact. energy: -3.145 local terms energy: -859.427210 where: bonds (distance) C4'-P energy: -154.134 bonds (distance) P-C4' energy: -163.010 flat angles C4'-P-C4' energy: -178.737 flat angles P-C4'-P energy: -123.544 tors. eta vs tors. theta energy: -240.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2668.047992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.047992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.047992 (E_RNA) where: Base-Base interactions energy: -1842.425 where: short stacking energy: -789.670 Base-Backbone interact. energy: -0.029 local terms energy: -825.593759 where: bonds (distance) C4'-P energy: -165.408 bonds (distance) P-C4' energy: -168.965 flat angles C4'-P-C4' energy: -182.801 flat angles P-C4'-P energy: -111.215 tors. eta vs tors. theta energy: -197.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2441.437308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.437308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.437308 (E_RNA) where: Base-Base interactions energy: -1676.110 where: short stacking energy: -716.086 Base-Backbone interact. energy: -0.359 local terms energy: -764.968233 where: bonds (distance) C4'-P energy: -149.796 bonds (distance) P-C4' energy: -161.370 flat angles C4'-P-C4' energy: -177.062 flat angles P-C4'-P energy: -97.688 tors. eta vs tors. theta energy: -179.052 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: 276 Temperature: 1.150000 Total energy: -2369.244452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.244452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.244452 (E_RNA) where: Base-Base interactions energy: -1642.151 where: short stacking energy: -687.631 Base-Backbone interact. energy: -2.827 local terms energy: -724.266116 where: bonds (distance) C4'-P energy: -136.321 bonds (distance) P-C4' energy: -141.119 flat angles C4'-P-C4' energy: -169.586 flat angles P-C4'-P energy: -103.864 tors. eta vs tors. theta energy: -173.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2137.228571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.228571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.228571 (E_RNA) where: Base-Base interactions energy: -1450.479 where: short stacking energy: -624.833 Base-Backbone interact. energy: 7.924 local terms energy: -694.673416 where: bonds (distance) C4'-P energy: -132.198 bonds (distance) P-C4' energy: -155.318 flat angles C4'-P-C4' energy: -172.594 flat angles P-C4'-P energy: -90.495 tors. eta vs tors. theta energy: -144.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1892.429753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.429753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.429753 (E_RNA) where: Base-Base interactions energy: -1264.632 where: short stacking energy: -566.864 Base-Backbone interact. energy: -0.621 local terms energy: -627.177311 where: bonds (distance) C4'-P energy: -115.173 bonds (distance) P-C4' energy: -152.615 flat angles C4'-P-C4' energy: -145.937 flat angles P-C4'-P energy: -97.864 tors. eta vs tors. theta energy: -115.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1361.897902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.897902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.897902 (E_RNA) where: Base-Base interactions energy: -828.748 where: short stacking energy: -400.530 Base-Backbone interact. energy: -0.451 local terms energy: -532.698881 where: bonds (distance) C4'-P energy: -125.384 bonds (distance) P-C4' energy: -119.941 flat angles C4'-P-C4' energy: -149.763 flat angles P-C4'-P energy: -87.673 tors. eta vs tors. theta energy: -49.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1109.390365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.390365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.390365 (E_RNA) where: Base-Base interactions energy: -639.721 where: short stacking energy: -333.788 Base-Backbone interact. energy: -0.530 local terms energy: -469.139394 where: bonds (distance) C4'-P energy: -144.561 bonds (distance) P-C4' energy: -116.639 flat angles C4'-P-C4' energy: -142.819 flat angles P-C4'-P energy: -45.338 tors. eta vs tors. theta energy: -19.782 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: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2982.554661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.554661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.554661 (E_RNA) where: Base-Base interactions energy: -2101.237 where: short stacking energy: -856.566 Base-Backbone interact. energy: -5.733 local terms energy: -875.584326 where: bonds (distance) C4'-P energy: -172.408 bonds (distance) P-C4' energy: -166.313 flat angles C4'-P-C4' energy: -178.404 flat angles P-C4'-P energy: -117.968 tors. eta vs tors. theta energy: -240.490 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: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2901.827965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.827965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.827965 (E_RNA) where: Base-Base interactions energy: -2026.539 where: short stacking energy: -848.372 Base-Backbone interact. energy: -1.019 local terms energy: -874.269995 where: bonds (distance) C4'-P energy: -157.765 bonds (distance) P-C4' energy: -168.987 flat angles C4'-P-C4' energy: -193.850 flat angles P-C4'-P energy: -119.948 tors. eta vs tors. theta energy: -233.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2755.885073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.885073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.885073 (E_RNA) where: Base-Base interactions energy: -1920.989 where: short stacking energy: -807.916 Base-Backbone interact. energy: -4.354 local terms energy: -830.542254 where: bonds (distance) C4'-P energy: -160.733 bonds (distance) P-C4' energy: -158.662 flat angles C4'-P-C4' energy: -182.557 flat angles P-C4'-P energy: -100.485 tors. eta vs tors. theta energy: -228.105 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: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2666.353612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.353612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.353612 (E_RNA) where: Base-Base interactions energy: -1861.422 where: short stacking energy: -822.750 Base-Backbone interact. energy: 1.408 local terms energy: -806.340280 where: bonds (distance) C4'-P energy: -160.022 bonds (distance) P-C4' energy: -142.346 flat angles C4'-P-C4' energy: -175.715 flat angles P-C4'-P energy: -107.353 tors. eta vs tors. theta energy: -220.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2490.260042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.260042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.260042 (E_RNA) where: Base-Base interactions energy: -1734.209 where: short stacking energy: -731.093 Base-Backbone interact. energy: -2.158 local terms energy: -753.892679 where: bonds (distance) C4'-P energy: -136.759 bonds (distance) P-C4' energy: -154.109 flat angles C4'-P-C4' energy: -174.065 flat angles P-C4'-P energy: -95.284 tors. eta vs tors. theta energy: -193.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2304.364915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.364915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.364915 (E_RNA) where: Base-Base interactions energy: -1542.878 where: short stacking energy: -644.092 Base-Backbone interact. energy: -2.335 local terms energy: -759.151846 where: bonds (distance) C4'-P energy: -153.863 bonds (distance) P-C4' energy: -145.209 flat angles C4'-P-C4' energy: -167.233 flat angles P-C4'-P energy: -117.689 tors. eta vs tors. theta energy: -175.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2116.466610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.466610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.466610 (E_RNA) where: Base-Base interactions energy: -1435.235 where: short stacking energy: -647.478 Base-Backbone interact. energy: 0.079 local terms energy: -681.310991 where: bonds (distance) C4'-P energy: -135.944 bonds (distance) P-C4' energy: -135.401 flat angles C4'-P-C4' energy: -149.066 flat angles P-C4'-P energy: -86.137 tors. eta vs tors. theta energy: -174.763 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: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1881.438896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.438896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.438896 (E_RNA) where: Base-Base interactions energy: -1252.757 where: short stacking energy: -553.778 Base-Backbone interact. energy: -2.140 local terms energy: -626.541120 where: bonds (distance) C4'-P energy: -132.680 bonds (distance) P-C4' energy: -144.541 flat angles C4'-P-C4' energy: -135.799 flat angles P-C4'-P energy: -81.873 tors. eta vs tors. theta energy: -131.648 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: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1317.387121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.387121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.387121 (E_RNA) where: Base-Base interactions energy: -756.044 where: short stacking energy: -376.883 Base-Backbone interact. energy: -1.029 local terms energy: -560.313968 where: bonds (distance) C4'-P energy: -148.953 bonds (distance) P-C4' energy: -140.473 flat angles C4'-P-C4' energy: -143.429 flat angles P-C4'-P energy: -90.733 tors. eta vs tors. theta energy: -36.726 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: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1007.783554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.783554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.783554 (E_RNA) where: Base-Base interactions energy: -577.276 where: short stacking energy: -297.675 Base-Backbone interact. energy: 11.765 local terms energy: -442.273013 where: bonds (distance) C4'-P energy: -118.763 bonds (distance) P-C4' energy: -125.708 flat angles C4'-P-C4' energy: -115.122 flat angles P-C4'-P energy: -78.541 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2996.946298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.946298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.946298 (E_RNA) where: Base-Base interactions energy: -2120.619 where: short stacking energy: -864.198 Base-Backbone interact. energy: -4.373 local terms energy: -871.954277 where: bonds (distance) C4'-P energy: -168.559 bonds (distance) P-C4' energy: -157.459 flat angles C4'-P-C4' energy: -176.951 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -248.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2952.353161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.353161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.353161 (E_RNA) where: Base-Base interactions energy: -2051.429 where: short stacking energy: -864.808 Base-Backbone interact. energy: 0.271 local terms energy: -901.194738 where: bonds (distance) C4'-P energy: -170.528 bonds (distance) P-C4' energy: -170.597 flat angles C4'-P-C4' energy: -182.946 flat angles P-C4'-P energy: -137.302 tors. eta vs tors. theta energy: -239.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2762.152271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.152271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.152271 (E_RNA) where: Base-Base interactions energy: -1927.253 where: short stacking energy: -803.132 Base-Backbone interact. energy: -3.712 local terms energy: -831.187592 where: bonds (distance) C4'-P energy: -144.491 bonds (distance) P-C4' energy: -161.198 flat angles C4'-P-C4' energy: -189.849 flat angles P-C4'-P energy: -122.160 tors. eta vs tors. theta energy: -213.489 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: 278 Temperature: 1.050000 Total energy: -2661.979275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.979275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.979275 (E_RNA) where: Base-Base interactions energy: -1878.302 where: short stacking energy: -815.696 Base-Backbone interact. energy: -4.545 local terms energy: -779.131943 where: bonds (distance) C4'-P energy: -149.322 bonds (distance) P-C4' energy: -157.049 flat angles C4'-P-C4' energy: -169.042 flat angles P-C4'-P energy: -91.289 tors. eta vs tors. theta energy: -212.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2439.416312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.416312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.416312 (E_RNA) where: Base-Base interactions energy: -1711.647 where: short stacking energy: -734.463 Base-Backbone interact. energy: -1.899 local terms energy: -725.870646 where: bonds (distance) C4'-P energy: -136.355 bonds (distance) P-C4' energy: -131.552 flat angles C4'-P-C4' energy: -172.215 flat angles P-C4'-P energy: -101.436 tors. eta vs tors. theta energy: -184.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2275.468519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.468519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.468519 (E_RNA) where: Base-Base interactions energy: -1541.752 where: short stacking energy: -675.675 Base-Backbone interact. energy: -5.402 local terms energy: -728.314508 where: bonds (distance) C4'-P energy: -151.380 bonds (distance) P-C4' energy: -146.659 flat angles C4'-P-C4' energy: -151.989 flat angles P-C4'-P energy: -109.145 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: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2103.691493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.691493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.691493 (E_RNA) where: Base-Base interactions energy: -1412.036 where: short stacking energy: -614.269 Base-Backbone interact. energy: -6.198 local terms energy: -685.457658 where: bonds (distance) C4'-P energy: -139.173 bonds (distance) P-C4' energy: -150.900 flat angles C4'-P-C4' energy: -141.963 flat angles P-C4'-P energy: -108.689 tors. eta vs tors. theta energy: -144.732 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: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1911.113121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.113121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.113121 (E_RNA) where: Base-Base interactions energy: -1267.662 where: short stacking energy: -552.207 Base-Backbone interact. energy: 0.934 local terms energy: -644.385326 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -155.107 flat angles C4'-P-C4' energy: -149.989 flat angles P-C4'-P energy: -86.694 tors. eta vs tors. theta energy: -119.531 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: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1262.945360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.945360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.945360 (E_RNA) where: Base-Base interactions energy: -742.360 where: short stacking energy: -359.478 Base-Backbone interact. energy: 3.732 local terms energy: -524.316775 where: bonds (distance) C4'-P energy: -145.308 bonds (distance) P-C4' energy: -130.191 flat angles C4'-P-C4' energy: -123.523 flat angles P-C4'-P energy: -80.812 tors. eta vs tors. theta energy: -44.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1100.127605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.127605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.127605 (E_RNA) where: Base-Base interactions energy: -640.291 where: short stacking energy: -337.196 Base-Backbone interact. energy: 1.374 local terms energy: -461.210986 where: bonds (distance) C4'-P energy: -118.328 bonds (distance) P-C4' energy: -132.233 flat angles C4'-P-C4' energy: -121.472 flat angles P-C4'-P energy: -83.698 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3018.504492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.504492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.504492 (E_RNA) where: Base-Base interactions energy: -2116.546 where: short stacking energy: -879.540 Base-Backbone interact. energy: -2.197 local terms energy: -899.761201 where: bonds (distance) C4'-P energy: -169.013 bonds (distance) P-C4' energy: -157.004 flat angles C4'-P-C4' energy: -201.150 flat angles P-C4'-P energy: -127.639 tors. eta vs tors. theta energy: -244.955 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: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2878.741294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.741294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.741294 (E_RNA) where: Base-Base interactions energy: -2007.174 where: short stacking energy: -845.677 Base-Backbone interact. energy: -4.752 local terms energy: -866.816048 where: bonds (distance) C4'-P energy: -158.642 bonds (distance) P-C4' energy: -166.156 flat angles C4'-P-C4' energy: -170.424 flat angles P-C4'-P energy: -121.204 tors. eta vs tors. theta energy: -250.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2762.932733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.932733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.932733 (E_RNA) where: Base-Base interactions energy: -1899.241 where: short stacking energy: -826.720 Base-Backbone interact. energy: -2.979 local terms energy: -860.713237 where: bonds (distance) C4'-P energy: -149.191 bonds (distance) P-C4' energy: -174.648 flat angles C4'-P-C4' energy: -179.337 flat angles P-C4'-P energy: -118.032 tors. eta vs tors. theta energy: -239.505 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: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2657.256586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.256586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.256586 (E_RNA) where: Base-Base interactions energy: -1806.590 where: short stacking energy: -784.738 Base-Backbone interact. energy: -1.888 local terms energy: -848.778304 where: bonds (distance) C4'-P energy: -168.937 bonds (distance) P-C4' energy: -166.162 flat angles C4'-P-C4' energy: -186.182 flat angles P-C4'-P energy: -108.021 tors. eta vs tors. theta energy: -219.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2439.158349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.158349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.158349 (E_RNA) where: Base-Base interactions energy: -1685.797 where: short stacking energy: -723.275 Base-Backbone interact. energy: 5.107 local terms energy: -758.467894 where: bonds (distance) C4'-P energy: -136.745 bonds (distance) P-C4' energy: -147.494 flat angles C4'-P-C4' energy: -180.879 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -187.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2263.868273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.868273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.868273 (E_RNA) where: Base-Base interactions energy: -1524.534 where: short stacking energy: -664.064 Base-Backbone interact. energy: -1.604 local terms energy: -737.730545 where: bonds (distance) C4'-P energy: -167.559 bonds (distance) P-C4' energy: -158.985 flat angles C4'-P-C4' energy: -146.455 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -162.553 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: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2087.425614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.425614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.425614 (E_RNA) where: Base-Base interactions energy: -1382.706 where: short stacking energy: -604.082 Base-Backbone interact. energy: -3.721 local terms energy: -700.998647 where: bonds (distance) C4'-P energy: -134.309 bonds (distance) P-C4' energy: -160.914 flat angles C4'-P-C4' energy: -156.222 flat angles P-C4'-P energy: -101.697 tors. eta vs tors. theta energy: -147.857 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: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1827.762227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.762227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.762227 (E_RNA) where: Base-Base interactions energy: -1200.476 where: short stacking energy: -502.034 Base-Backbone interact. energy: -1.204 local terms energy: -626.082381 where: bonds (distance) C4'-P energy: -145.908 bonds (distance) P-C4' energy: -123.135 flat angles C4'-P-C4' energy: -142.100 flat angles P-C4'-P energy: -95.287 tors. eta vs tors. theta energy: -119.653 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: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1249.373074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.373074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.373074 (E_RNA) where: Base-Base interactions energy: -727.170 where: short stacking energy: -356.945 Base-Backbone interact. energy: 8.418 local terms energy: -530.620953 where: bonds (distance) C4'-P energy: -117.076 bonds (distance) P-C4' energy: -148.359 flat angles C4'-P-C4' energy: -136.923 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -43.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1072.693208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.693208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.693208 (E_RNA) where: Base-Base interactions energy: -597.326 where: short stacking energy: -328.513 Base-Backbone interact. energy: 4.233 local terms energy: -479.600381 where: bonds (distance) C4'-P energy: -133.442 bonds (distance) P-C4' energy: -110.534 flat angles C4'-P-C4' energy: -121.060 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -23.773 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: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2991.340294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.340294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.340294 (E_RNA) where: Base-Base interactions energy: -2085.312 where: short stacking energy: -869.655 Base-Backbone interact. energy: -2.340 local terms energy: -903.687998 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -176.948 flat angles C4'-P-C4' energy: -186.851 flat angles P-C4'-P energy: -124.851 tors. eta vs tors. theta energy: -258.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2941.865902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.865902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.865902 (E_RNA) where: Base-Base interactions energy: -2080.717 where: short stacking energy: -850.997 Base-Backbone interact. energy: -3.493 local terms energy: -857.655405 where: bonds (distance) C4'-P energy: -144.156 bonds (distance) P-C4' energy: -161.933 flat angles C4'-P-C4' energy: -178.910 flat angles P-C4'-P energy: -132.000 tors. eta vs tors. theta energy: -240.656 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: 3, replica: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2702.555518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.555518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.555518 (E_RNA) where: Base-Base interactions energy: -1866.033 where: short stacking energy: -816.879 Base-Backbone interact. energy: -3.641 local terms energy: -832.881386 where: bonds (distance) C4'-P energy: -161.470 bonds (distance) P-C4' energy: -167.031 flat angles C4'-P-C4' energy: -176.779 flat angles P-C4'-P energy: -109.983 tors. eta vs tors. theta energy: -217.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2598.993184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.993184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.993184 (E_RNA) where: Base-Base interactions energy: -1816.573 where: short stacking energy: -785.947 Base-Backbone interact. energy: 3.776 local terms energy: -786.195611 where: bonds (distance) C4'-P energy: -137.647 bonds (distance) P-C4' energy: -159.842 flat angles C4'-P-C4' energy: -175.544 flat angles P-C4'-P energy: -101.943 tors. eta vs tors. theta energy: -211.219 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: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2442.582134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.582134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.582134 (E_RNA) where: Base-Base interactions energy: -1659.641 where: short stacking energy: -709.880 Base-Backbone interact. energy: -3.198 local terms energy: -779.742525 where: bonds (distance) C4'-P energy: -135.802 bonds (distance) P-C4' energy: -147.650 flat angles C4'-P-C4' energy: -190.387 flat angles P-C4'-P energy: -124.418 tors. eta vs tors. theta energy: -181.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2272.605866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.605866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.605866 (E_RNA) where: Base-Base interactions energy: -1568.805 where: short stacking energy: -681.780 Base-Backbone interact. energy: -0.611 local terms energy: -703.189984 where: bonds (distance) C4'-P energy: -129.565 bonds (distance) P-C4' energy: -148.913 flat angles C4'-P-C4' energy: -164.876 flat angles P-C4'-P energy: -106.662 tors. eta vs tors. theta energy: -153.173 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: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2049.221141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.221141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.221141 (E_RNA) where: Base-Base interactions energy: -1379.978 where: short stacking energy: -604.015 Base-Backbone interact. energy: -2.855 local terms energy: -666.388343 where: bonds (distance) C4'-P energy: -141.937 bonds (distance) P-C4' energy: -132.278 flat angles C4'-P-C4' energy: -155.790 flat angles P-C4'-P energy: -102.235 tors. eta vs tors. theta energy: -134.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1789.583632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.583632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.583632 (E_RNA) where: Base-Base interactions energy: -1199.098 where: short stacking energy: -525.840 Base-Backbone interact. energy: -2.633 local terms energy: -587.852559 where: bonds (distance) C4'-P energy: -124.902 bonds (distance) P-C4' energy: -122.287 flat angles C4'-P-C4' energy: -146.184 flat angles P-C4'-P energy: -81.028 tors. eta vs tors. theta energy: -113.452 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: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1243.411639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.411639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.411639 (E_RNA) where: Base-Base interactions energy: -728.579 where: short stacking energy: -342.782 Base-Backbone interact. energy: -2.921 local terms energy: -511.912323 where: bonds (distance) C4'-P energy: -127.245 bonds (distance) P-C4' energy: -133.326 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -77.777 tors. eta vs tors. theta energy: -37.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1052.570020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.570020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.570020 (E_RNA) where: Base-Base interactions energy: -593.962 where: short stacking energy: -313.218 Base-Backbone interact. energy: 1.341 local terms energy: -459.949945 where: bonds (distance) C4'-P energy: -145.165 bonds (distance) P-C4' energy: -136.990 flat angles C4'-P-C4' energy: -102.629 flat angles P-C4'-P energy: -74.432 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3004.359625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.359625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.359625 (E_RNA) where: Base-Base interactions energy: -2116.098 where: short stacking energy: -867.776 Base-Backbone interact. energy: -7.015 local terms energy: -881.246300 where: bonds (distance) C4'-P energy: -152.039 bonds (distance) P-C4' energy: -177.133 flat angles C4'-P-C4' energy: -186.903 flat angles P-C4'-P energy: -125.194 tors. eta vs tors. theta energy: -239.977 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: 281 Temperature: 0.950000 Total energy: -2955.648358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.648358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.648358 (E_RNA) where: Base-Base interactions energy: -2056.703 where: short stacking energy: -832.803 Base-Backbone interact. energy: -4.568 local terms energy: -894.377040 where: bonds (distance) C4'-P energy: -156.185 bonds (distance) P-C4' energy: -173.306 flat angles C4'-P-C4' energy: -187.403 flat angles P-C4'-P energy: -133.998 tors. eta vs tors. theta energy: -243.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2711.938435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.938435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.938435 (E_RNA) where: Base-Base interactions energy: -1892.112 where: short stacking energy: -802.120 Base-Backbone interact. energy: -2.681 local terms energy: -817.145538 where: bonds (distance) C4'-P energy: -145.573 bonds (distance) P-C4' energy: -172.581 flat angles C4'-P-C4' energy: -171.138 flat angles P-C4'-P energy: -120.350 tors. eta vs tors. theta energy: -207.503 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: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2605.406748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.406748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.406748 (E_RNA) where: Base-Base interactions energy: -1812.401 where: short stacking energy: -783.136 Base-Backbone interact. energy: -0.928 local terms energy: -792.077034 where: bonds (distance) C4'-P energy: -148.170 bonds (distance) P-C4' energy: -157.912 flat angles C4'-P-C4' energy: -178.483 flat angles P-C4'-P energy: -104.309 tors. eta vs tors. theta energy: -203.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2405.136594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.136594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.136594 (E_RNA) where: Base-Base interactions energy: -1664.053 where: short stacking energy: -715.644 Base-Backbone interact. energy: 2.297 local terms energy: -743.380954 where: bonds (distance) C4'-P energy: -145.270 bonds (distance) P-C4' energy: -155.621 flat angles C4'-P-C4' energy: -164.052 flat angles P-C4'-P energy: -99.858 tors. eta vs tors. theta energy: -178.580 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: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2294.278236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.278236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.278236 (E_RNA) where: Base-Base interactions energy: -1558.412 where: short stacking energy: -666.070 Base-Backbone interact. energy: 5.016 local terms energy: -740.882069 where: bonds (distance) C4'-P energy: -142.852 bonds (distance) P-C4' energy: -156.826 flat angles C4'-P-C4' energy: -167.508 flat angles P-C4'-P energy: -111.898 tors. eta vs tors. theta energy: -161.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2101.641211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.641211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.641211 (E_RNA) where: Base-Base interactions energy: -1443.826 where: short stacking energy: -653.009 Base-Backbone interact. energy: -2.227 local terms energy: -655.587987 where: bonds (distance) C4'-P energy: -136.665 bonds (distance) P-C4' energy: -135.450 flat angles C4'-P-C4' energy: -152.536 flat angles P-C4'-P energy: -88.295 tors. eta vs tors. theta energy: -142.643 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: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1695.287130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.287130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.287130 (E_RNA) where: Base-Base interactions energy: -1060.376 where: short stacking energy: -505.763 Base-Backbone interact. energy: 0.190 local terms energy: -635.101382 where: bonds (distance) C4'-P energy: -142.061 bonds (distance) P-C4' energy: -137.092 flat angles C4'-P-C4' energy: -154.151 flat angles P-C4'-P energy: -98.741 tors. eta vs tors. theta energy: -103.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1289.159029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.159029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.159029 (E_RNA) where: Base-Base interactions energy: -759.662 where: short stacking energy: -365.282 Base-Backbone interact. energy: -0.451 local terms energy: -529.046069 where: bonds (distance) C4'-P energy: -115.397 bonds (distance) P-C4' energy: -148.137 flat angles C4'-P-C4' energy: -150.767 flat angles P-C4'-P energy: -77.763 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: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1039.640992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.640992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.640992 (E_RNA) where: Base-Base interactions energy: -599.500 where: short stacking energy: -322.452 Base-Backbone interact. energy: 7.173 local terms energy: -447.313667 where: bonds (distance) C4'-P energy: -133.147 bonds (distance) P-C4' energy: -116.580 flat angles C4'-P-C4' energy: -126.076 flat angles P-C4'-P energy: -69.849 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3062.501604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.501604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.501604 (E_RNA) where: Base-Base interactions energy: -2164.958 where: short stacking energy: -895.782 Base-Backbone interact. energy: -6.315 local terms energy: -891.228818 where: bonds (distance) C4'-P energy: -161.568 bonds (distance) P-C4' energy: -166.110 flat angles C4'-P-C4' energy: -195.773 flat angles P-C4'-P energy: -115.978 tors. eta vs tors. theta energy: -251.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2927.847436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.847436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.847436 (E_RNA) where: Base-Base interactions energy: -2054.480 where: short stacking energy: -859.803 Base-Backbone interact. energy: -2.823 local terms energy: -870.544954 where: bonds (distance) C4'-P energy: -146.684 bonds (distance) P-C4' energy: -170.711 flat angles C4'-P-C4' energy: -181.345 flat angles P-C4'-P energy: -125.069 tors. eta vs tors. theta energy: -246.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2714.097300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.097300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.097300 (E_RNA) where: Base-Base interactions energy: -1877.979 where: short stacking energy: -798.858 Base-Backbone interact. energy: -3.950 local terms energy: -832.167887 where: bonds (distance) C4'-P energy: -139.087 bonds (distance) P-C4' energy: -169.886 flat angles C4'-P-C4' energy: -187.312 flat angles P-C4'-P energy: -114.147 tors. eta vs tors. theta energy: -221.736 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: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2587.645565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.645565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.645565 (E_RNA) where: Base-Base interactions energy: -1814.911 where: short stacking energy: -740.220 Base-Backbone interact. energy: -4.141 local terms energy: -768.594237 where: bonds (distance) C4'-P energy: -151.138 bonds (distance) P-C4' energy: -161.566 flat angles C4'-P-C4' energy: -163.885 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -196.460 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: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2368.240879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.240879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.240879 (E_RNA) where: Base-Base interactions energy: -1614.638 where: short stacking energy: -713.198 Base-Backbone interact. energy: 8.044 local terms energy: -761.646730 where: bonds (distance) C4'-P energy: -152.930 bonds (distance) P-C4' energy: -166.055 flat angles C4'-P-C4' energy: -159.837 flat angles P-C4'-P energy: -105.066 tors. eta vs tors. theta energy: -177.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2346.123939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.123939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.123939 (E_RNA) where: Base-Base interactions energy: -1593.776 where: short stacking energy: -698.505 Base-Backbone interact. energy: -1.163 local terms energy: -751.185765 where: bonds (distance) C4'-P energy: -139.018 bonds (distance) P-C4' energy: -155.930 flat angles C4'-P-C4' energy: -167.322 flat angles P-C4'-P energy: -101.365 tors. eta vs tors. theta energy: -187.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2097.970447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.970447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.970447 (E_RNA) where: Base-Base interactions energy: -1427.493 where: short stacking energy: -609.534 Base-Backbone interact. energy: -2.635 local terms energy: -667.842087 where: bonds (distance) C4'-P energy: -131.315 bonds (distance) P-C4' energy: -140.287 flat angles C4'-P-C4' energy: -145.719 flat angles P-C4'-P energy: -98.518 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: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1732.713997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.713997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.713997 (E_RNA) where: Base-Base interactions energy: -1128.084 where: short stacking energy: -524.080 Base-Backbone interact. energy: -0.233 local terms energy: -604.396738 where: bonds (distance) C4'-P energy: -132.765 bonds (distance) P-C4' energy: -136.030 flat angles C4'-P-C4' energy: -124.827 flat angles P-C4'-P energy: -105.170 tors. eta vs tors. theta energy: -105.605 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: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1258.422461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.422461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.422461 (E_RNA) where: Base-Base interactions energy: -725.480 where: short stacking energy: -379.245 Base-Backbone interact. energy: 0.179 local terms energy: -533.121661 where: bonds (distance) C4'-P energy: -128.378 bonds (distance) P-C4' energy: -135.822 flat angles C4'-P-C4' energy: -153.793 flat angles P-C4'-P energy: -80.637 tors. eta vs tors. theta energy: -34.492 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: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1057.041811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.041811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.041811 (E_RNA) where: Base-Base interactions energy: -595.247 where: short stacking energy: -295.886 Base-Backbone interact. energy: 2.801 local terms energy: -464.595353 where: bonds (distance) C4'-P energy: -133.155 bonds (distance) P-C4' energy: -144.051 flat angles C4'-P-C4' energy: -120.443 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: 2.182 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: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3008.206478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.206478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.206478 (E_RNA) where: Base-Base interactions energy: -2105.334 where: short stacking energy: -883.714 Base-Backbone interact. energy: -8.911 local terms energy: -893.961362 where: bonds (distance) C4'-P energy: -164.141 bonds (distance) P-C4' energy: -175.344 flat angles C4'-P-C4' energy: -183.007 flat angles P-C4'-P energy: -122.760 tors. eta vs tors. theta energy: -248.710 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: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2891.690037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.690037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.690037 (E_RNA) where: Base-Base interactions energy: -2016.325 where: short stacking energy: -849.798 Base-Backbone interact. energy: -3.064 local terms energy: -872.300736 where: bonds (distance) C4'-P energy: -161.021 bonds (distance) P-C4' energy: -168.099 flat angles C4'-P-C4' energy: -192.320 flat angles P-C4'-P energy: -118.863 tors. eta vs tors. theta energy: -231.998 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: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2687.603099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.603099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.603099 (E_RNA) where: Base-Base interactions energy: -1835.466 where: short stacking energy: -812.175 Base-Backbone interact. energy: -3.101 local terms energy: -849.036942 where: bonds (distance) C4'-P energy: -160.461 bonds (distance) P-C4' energy: -160.425 flat angles C4'-P-C4' energy: -187.246 flat angles P-C4'-P energy: -110.945 tors. eta vs tors. theta energy: -229.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2611.225745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.225745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.225745 (E_RNA) where: Base-Base interactions energy: -1801.242 where: short stacking energy: -732.796 Base-Backbone interact. energy: -2.883 local terms energy: -807.100617 where: bonds (distance) C4'-P energy: -167.834 bonds (distance) P-C4' energy: -165.314 flat angles C4'-P-C4' energy: -169.373 flat angles P-C4'-P energy: -104.226 tors. eta vs tors. theta energy: -200.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2385.818423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.818423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.818423 (E_RNA) where: Base-Base interactions energy: -1593.798 where: short stacking energy: -734.520 Base-Backbone interact. energy: 0.979 local terms energy: -792.999023 where: bonds (distance) C4'-P energy: -149.633 bonds (distance) P-C4' energy: -161.532 flat angles C4'-P-C4' energy: -158.274 flat angles P-C4'-P energy: -113.989 tors. eta vs tors. theta energy: -209.570 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: 283 Temperature: 1.150000 Total energy: -2353.602159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.602159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.602159 (E_RNA) where: Base-Base interactions energy: -1616.101 where: short stacking energy: -692.125 Base-Backbone interact. energy: -1.342 local terms energy: -736.158880 where: bonds (distance) C4'-P energy: -140.617 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -163.628 flat angles P-C4'-P energy: -94.738 tors. eta vs tors. theta energy: -183.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2103.930655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.930655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.930655 (E_RNA) where: Base-Base interactions energy: -1396.818 where: short stacking energy: -626.621 Base-Backbone interact. energy: -2.483 local terms energy: -704.630189 where: bonds (distance) C4'-P energy: -141.672 bonds (distance) P-C4' energy: -131.259 flat angles C4'-P-C4' energy: -170.937 flat angles P-C4'-P energy: -81.886 tors. eta vs tors. theta energy: -178.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1737.813181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.813181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.813181 (E_RNA) where: Base-Base interactions energy: -1158.268 where: short stacking energy: -520.864 Base-Backbone interact. energy: -0.094 local terms energy: -579.450767 where: bonds (distance) C4'-P energy: -113.352 bonds (distance) P-C4' energy: -130.849 flat angles C4'-P-C4' energy: -143.870 flat angles P-C4'-P energy: -88.132 tors. eta vs tors. theta energy: -103.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1303.315630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.315630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.315630 (E_RNA) where: Base-Base interactions energy: -791.241 where: short stacking energy: -386.432 Base-Backbone interact. energy: 2.756 local terms energy: -514.831122 where: bonds (distance) C4'-P energy: -140.385 bonds (distance) P-C4' energy: -132.696 flat angles C4'-P-C4' energy: -109.185 flat angles P-C4'-P energy: -87.145 tors. eta vs tors. theta energy: -45.419 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: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1136.571888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.571888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.571888 (E_RNA) where: Base-Base interactions energy: -648.679 where: short stacking energy: -301.579 Base-Backbone interact. energy: 1.042 local terms energy: -488.934482 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -129.216 flat angles C4'-P-C4' energy: -122.655 flat angles P-C4'-P energy: -82.508 tors. eta vs tors. theta energy: -13.967 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: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3024.485787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.485787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.485787 (E_RNA) where: Base-Base interactions energy: -2107.921 where: short stacking energy: -886.978 Base-Backbone interact. energy: -1.688 local terms energy: -914.877161 where: bonds (distance) C4'-P energy: -169.690 bonds (distance) P-C4' energy: -167.532 flat angles C4'-P-C4' energy: -194.523 flat angles P-C4'-P energy: -130.276 tors. eta vs tors. theta energy: -252.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2868.246360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.246360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.246360 (E_RNA) where: Base-Base interactions energy: -2017.393 where: short stacking energy: -847.346 Base-Backbone interact. energy: -3.062 local terms energy: -847.791462 where: bonds (distance) C4'-P energy: -149.520 bonds (distance) P-C4' energy: -154.535 flat angles C4'-P-C4' energy: -187.094 flat angles P-C4'-P energy: -119.542 tors. eta vs tors. theta energy: -237.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2699.770106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.770106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.770106 (E_RNA) where: Base-Base interactions energy: -1874.620 where: short stacking energy: -820.147 Base-Backbone interact. energy: -2.583 local terms energy: -822.567284 where: bonds (distance) C4'-P energy: -151.239 bonds (distance) P-C4' energy: -158.286 flat angles C4'-P-C4' energy: -168.070 flat angles P-C4'-P energy: -126.163 tors. eta vs tors. theta energy: -218.809 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: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2625.243418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.243418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.243418 (E_RNA) where: Base-Base interactions energy: -1843.460 where: short stacking energy: -779.885 Base-Backbone interact. energy: -4.978 local terms energy: -776.805496 where: bonds (distance) C4'-P energy: -149.934 bonds (distance) P-C4' energy: -135.829 flat angles C4'-P-C4' energy: -173.011 flat angles P-C4'-P energy: -114.526 tors. eta vs tors. theta energy: -203.505 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: 284 Temperature: 1.100000 Total energy: -2398.585692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.585692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.585692 (E_RNA) where: Base-Base interactions energy: -1665.156 where: short stacking energy: -725.700 Base-Backbone interact. energy: 1.308 local terms energy: -734.737291 where: bonds (distance) C4'-P energy: -151.410 bonds (distance) P-C4' energy: -136.671 flat angles C4'-P-C4' energy: -166.727 flat angles P-C4'-P energy: -108.219 tors. eta vs tors. theta energy: -171.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2301.735001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.735001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.735001 (E_RNA) where: Base-Base interactions energy: -1572.969 where: short stacking energy: -701.301 Base-Backbone interact. energy: -1.556 local terms energy: -727.210551 where: bonds (distance) C4'-P energy: -129.606 bonds (distance) P-C4' energy: -135.028 flat angles C4'-P-C4' energy: -162.775 flat angles P-C4'-P energy: -114.696 tors. eta vs tors. theta energy: -185.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2090.333570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.333570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.333570 (E_RNA) where: Base-Base interactions energy: -1439.283 where: short stacking energy: -662.779 Base-Backbone interact. energy: -1.398 local terms energy: -649.652990 where: bonds (distance) C4'-P energy: -131.307 bonds (distance) P-C4' energy: -110.298 flat angles C4'-P-C4' energy: -157.837 flat angles P-C4'-P energy: -96.430 tors. eta vs tors. theta energy: -153.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1697.999924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.999924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.999924 (E_RNA) where: Base-Base interactions energy: -1105.768 where: short stacking energy: -457.018 Base-Backbone interact. energy: 3.085 local terms energy: -595.317195 where: bonds (distance) C4'-P energy: -149.297 bonds (distance) P-C4' energy: -130.999 flat angles C4'-P-C4' energy: -138.867 flat angles P-C4'-P energy: -93.323 tors. eta vs tors. theta energy: -82.831 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: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1304.600084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.600084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.600084 (E_RNA) where: Base-Base interactions energy: -773.087 where: short stacking energy: -376.780 Base-Backbone interact. energy: -4.141 local terms energy: -527.372497 where: bonds (distance) C4'-P energy: -116.745 bonds (distance) P-C4' energy: -155.805 flat angles C4'-P-C4' energy: -132.708 flat angles P-C4'-P energy: -87.544 tors. eta vs tors. theta energy: -34.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1074.224295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.224295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.224295 (E_RNA) where: Base-Base interactions energy: -571.864 where: short stacking energy: -286.107 Base-Backbone interact. energy: 0.080 local terms energy: -502.440425 where: bonds (distance) C4'-P energy: -140.252 bonds (distance) P-C4' energy: -154.024 flat angles C4'-P-C4' energy: -110.978 flat angles P-C4'-P energy: -75.433 tors. eta vs tors. theta energy: -21.752 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: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3015.287961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.287961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.287961 (E_RNA) where: Base-Base interactions energy: -2115.941 where: short stacking energy: -885.434 Base-Backbone interact. energy: -1.954 local terms energy: -897.393009 where: bonds (distance) C4'-P energy: -163.234 bonds (distance) P-C4' energy: -184.879 flat angles C4'-P-C4' energy: -187.850 flat angles P-C4'-P energy: -114.124 tors. eta vs tors. theta energy: -247.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2895.948357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.948357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.948357 (E_RNA) where: Base-Base interactions energy: -2023.903 where: short stacking energy: -878.090 Base-Backbone interact. energy: -1.502 local terms energy: -870.543113 where: bonds (distance) C4'-P energy: -165.925 bonds (distance) P-C4' energy: -165.560 flat angles C4'-P-C4' energy: -181.795 flat angles P-C4'-P energy: -120.619 tors. eta vs tors. theta energy: -236.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2768.273755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.273755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.273755 (E_RNA) where: Base-Base interactions energy: -1916.469 where: short stacking energy: -836.250 Base-Backbone interact. energy: 0.293 local terms energy: -852.097758 where: bonds (distance) C4'-P energy: -163.021 bonds (distance) P-C4' energy: -150.681 flat angles C4'-P-C4' energy: -186.697 flat angles P-C4'-P energy: -114.775 tors. eta vs tors. theta energy: -236.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2634.807538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.807538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.807538 (E_RNA) where: Base-Base interactions energy: -1852.505 where: short stacking energy: -791.607 Base-Backbone interact. energy: 8.890 local terms energy: -791.193217 where: bonds (distance) C4'-P energy: -142.249 bonds (distance) P-C4' energy: -150.171 flat angles C4'-P-C4' energy: -176.856 flat angles P-C4'-P energy: -107.145 tors. eta vs tors. theta energy: -214.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2418.226512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.226512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.226512 (E_RNA) where: Base-Base interactions energy: -1668.815 where: short stacking energy: -735.144 Base-Backbone interact. energy: 0.233 local terms energy: -749.644158 where: bonds (distance) C4'-P energy: -126.878 bonds (distance) P-C4' energy: -141.108 flat angles C4'-P-C4' energy: -174.858 flat angles P-C4'-P energy: -119.232 tors. eta vs tors. theta energy: -187.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2279.580830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.580830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.580830 (E_RNA) where: Base-Base interactions energy: -1566.603 where: short stacking energy: -685.413 Base-Backbone interact. energy: -0.094 local terms energy: -712.883125 where: bonds (distance) C4'-P energy: -151.812 bonds (distance) P-C4' energy: -141.326 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -85.938 tors. eta vs tors. theta energy: -171.515 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: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2179.924001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.924001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.924001 (E_RNA) where: Base-Base interactions energy: -1468.229 where: short stacking energy: -646.706 Base-Backbone interact. energy: -3.695 local terms energy: -708.000467 where: bonds (distance) C4'-P energy: -151.167 bonds (distance) P-C4' energy: -153.663 flat angles C4'-P-C4' energy: -137.242 flat angles P-C4'-P energy: -93.478 tors. eta vs tors. theta energy: -172.450 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: 8, replica: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1683.034560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.034560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.034560 (E_RNA) where: Base-Base interactions energy: -1099.633 where: short stacking energy: -480.753 Base-Backbone interact. energy: 6.096 local terms energy: -589.496732 where: bonds (distance) C4'-P energy: -135.174 bonds (distance) P-C4' energy: -143.297 flat angles C4'-P-C4' energy: -154.684 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -74.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1380.856002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.856002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.856002 (E_RNA) where: Base-Base interactions energy: -853.081 where: short stacking energy: -371.924 Base-Backbone interact. energy: -0.051 local terms energy: -527.724478 where: bonds (distance) C4'-P energy: -114.324 bonds (distance) P-C4' energy: -150.699 flat angles C4'-P-C4' energy: -126.412 flat angles P-C4'-P energy: -92.035 tors. eta vs tors. theta energy: -44.253 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: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1032.429554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.429554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.429554 (E_RNA) where: Base-Base interactions energy: -576.259 where: short stacking energy: -276.506 Base-Backbone interact. energy: -5.854 local terms energy: -450.316501 where: bonds (distance) C4'-P energy: -137.027 bonds (distance) P-C4' energy: -125.415 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -6.061 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: 286 Temperature: 0.900000 Total energy: -3026.623814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.623814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.623814 (E_RNA) where: Base-Base interactions energy: -2115.236 where: short stacking energy: -878.937 Base-Backbone interact. energy: -4.617 local terms energy: -906.771136 where: bonds (distance) C4'-P energy: -169.732 bonds (distance) P-C4' energy: -185.388 flat angles C4'-P-C4' energy: -183.645 flat angles P-C4'-P energy: -122.557 tors. eta vs tors. theta energy: -245.449 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: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2893.253995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.253995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.253995 (E_RNA) where: Base-Base interactions energy: -2016.922 where: short stacking energy: -836.520 Base-Backbone interact. energy: -3.590 local terms energy: -872.741406 where: bonds (distance) C4'-P energy: -162.641 bonds (distance) P-C4' energy: -168.760 flat angles C4'-P-C4' energy: -181.152 flat angles P-C4'-P energy: -126.849 tors. eta vs tors. theta energy: -233.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2737.787758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.787758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.787758 (E_RNA) where: Base-Base interactions energy: -1924.881 where: short stacking energy: -831.390 Base-Backbone interact. energy: -4.812 local terms energy: -808.095488 where: bonds (distance) C4'-P energy: -152.798 bonds (distance) P-C4' energy: -153.431 flat angles C4'-P-C4' energy: -171.654 flat angles P-C4'-P energy: -101.586 tors. eta vs tors. theta energy: -228.626 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: 286 Temperature: 1.050000 Total energy: -2641.262587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.262587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.262587 (E_RNA) where: Base-Base interactions energy: -1832.737 where: short stacking energy: -748.741 Base-Backbone interact. energy: -1.854 local terms energy: -806.671054 where: bonds (distance) C4'-P energy: -142.086 bonds (distance) P-C4' energy: -168.148 flat angles C4'-P-C4' energy: -171.827 flat angles P-C4'-P energy: -118.135 tors. eta vs tors. theta energy: -206.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2380.541768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.541768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.541768 (E_RNA) where: Base-Base interactions energy: -1614.617 where: short stacking energy: -712.426 Base-Backbone interact. energy: -1.759 local terms energy: -764.166112 where: bonds (distance) C4'-P energy: -146.392 bonds (distance) P-C4' energy: -150.044 flat angles C4'-P-C4' energy: -173.036 flat angles P-C4'-P energy: -118.758 tors. eta vs tors. theta energy: -175.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2277.027058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.027058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.027058 (E_RNA) where: Base-Base interactions energy: -1540.943 where: short stacking energy: -678.918 Base-Backbone interact. energy: 3.444 local terms energy: -739.527553 where: bonds (distance) C4'-P energy: -142.227 bonds (distance) P-C4' energy: -157.970 flat angles C4'-P-C4' energy: -162.416 flat angles P-C4'-P energy: -97.923 tors. eta vs tors. theta energy: -178.991 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: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2188.299488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.299488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.299488 (E_RNA) where: Base-Base interactions energy: -1511.788 where: short stacking energy: -683.141 Base-Backbone interact. energy: -3.292 local terms energy: -673.219822 where: bonds (distance) C4'-P energy: -117.268 bonds (distance) P-C4' energy: -136.398 flat angles C4'-P-C4' energy: -162.657 flat angles P-C4'-P energy: -91.235 tors. eta vs tors. theta energy: -165.661 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: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1761.495988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.495988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.495988 (E_RNA) where: Base-Base interactions energy: -1170.253 where: short stacking energy: -506.197 Base-Backbone interact. energy: 3.769 local terms energy: -595.011972 where: bonds (distance) C4'-P energy: -115.575 bonds (distance) P-C4' energy: -147.806 flat angles C4'-P-C4' energy: -139.672 flat angles P-C4'-P energy: -91.281 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: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1344.466807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.466807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.466807 (E_RNA) where: Base-Base interactions energy: -809.270 where: short stacking energy: -416.777 Base-Backbone interact. energy: -1.719 local terms energy: -533.477873 where: bonds (distance) C4'-P energy: -137.366 bonds (distance) P-C4' energy: -124.624 flat angles C4'-P-C4' energy: -137.271 flat angles P-C4'-P energy: -91.119 tors. eta vs tors. theta energy: -43.099 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: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1019.680945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.680945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.680945 (E_RNA) where: Base-Base interactions energy: -550.400 where: short stacking energy: -309.504 Base-Backbone interact. energy: -1.146 local terms energy: -468.134993 where: bonds (distance) C4'-P energy: -135.338 bonds (distance) P-C4' energy: -145.363 flat angles C4'-P-C4' energy: -124.196 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: -9.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2997.135456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.135456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.135456 (E_RNA) where: Base-Base interactions energy: -2087.419 where: short stacking energy: -866.565 Base-Backbone interact. energy: -1.570 local terms energy: -908.146284 where: bonds (distance) C4'-P energy: -187.799 bonds (distance) P-C4' energy: -165.106 flat angles C4'-P-C4' energy: -182.679 flat angles P-C4'-P energy: -135.355 tors. eta vs tors. theta energy: -237.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2922.314754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.314754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.314754 (E_RNA) where: Base-Base interactions energy: -2046.719 where: short stacking energy: -869.487 Base-Backbone interact. energy: -5.146 local terms energy: -870.450651 where: bonds (distance) C4'-P energy: -161.443 bonds (distance) P-C4' energy: -163.981 flat angles C4'-P-C4' energy: -184.545 flat angles P-C4'-P energy: -123.298 tors. eta vs tors. theta energy: -237.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2747.784503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.784503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.784503 (E_RNA) where: Base-Base interactions energy: -1936.805 where: short stacking energy: -806.909 Base-Backbone interact. energy: -1.724 local terms energy: -809.255372 where: bonds (distance) C4'-P energy: -147.532 bonds (distance) P-C4' energy: -153.534 flat angles C4'-P-C4' energy: -176.315 flat angles P-C4'-P energy: -108.384 tors. eta vs tors. theta energy: -223.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2642.401277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.401277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.401277 (E_RNA) where: Base-Base interactions energy: -1844.058 where: short stacking energy: -779.039 Base-Backbone interact. energy: 0.376 local terms energy: -798.719380 where: bonds (distance) C4'-P energy: -141.930 bonds (distance) P-C4' energy: -153.859 flat angles C4'-P-C4' energy: -182.162 flat angles P-C4'-P energy: -116.440 tors. eta vs tors. theta energy: -204.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2409.793157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.793157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.793157 (E_RNA) where: Base-Base interactions energy: -1677.974 where: short stacking energy: -725.282 Base-Backbone interact. energy: 1.584 local terms energy: -733.402477 where: bonds (distance) C4'-P energy: -130.439 bonds (distance) P-C4' energy: -157.058 flat angles C4'-P-C4' energy: -149.023 flat angles P-C4'-P energy: -106.233 tors. eta vs tors. theta energy: -190.649 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: 287 Temperature: 1.150000 Total energy: -2222.608979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.608979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.608979 (E_RNA) where: Base-Base interactions energy: -1517.238 where: short stacking energy: -656.939 Base-Backbone interact. energy: -1.366 local terms energy: -704.005285 where: bonds (distance) C4'-P energy: -135.512 bonds (distance) P-C4' energy: -154.376 flat angles C4'-P-C4' energy: -157.914 flat angles P-C4'-P energy: -88.077 tors. eta vs tors. theta energy: -168.126 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: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2158.513853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.513853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.513853 (E_RNA) where: Base-Base interactions energy: -1499.454 where: short stacking energy: -650.176 Base-Backbone interact. energy: -0.324 local terms energy: -658.735951 where: bonds (distance) C4'-P energy: -131.539 bonds (distance) P-C4' energy: -117.375 flat angles C4'-P-C4' energy: -160.699 flat angles P-C4'-P energy: -96.946 tors. eta vs tors. theta energy: -152.176 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: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1806.350925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.350925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.350925 (E_RNA) where: Base-Base interactions energy: -1212.302 where: short stacking energy: -515.482 Base-Backbone interact. energy: -1.412 local terms energy: -592.637412 where: bonds (distance) C4'-P energy: -128.848 bonds (distance) P-C4' energy: -152.727 flat angles C4'-P-C4' energy: -153.121 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -92.940 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: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1349.535936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.535936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.535936 (E_RNA) where: Base-Base interactions energy: -811.591 where: short stacking energy: -406.432 Base-Backbone interact. energy: 0.371 local terms energy: -538.315934 where: bonds (distance) C4'-P energy: -118.749 bonds (distance) P-C4' energy: -136.419 flat angles C4'-P-C4' energy: -130.175 flat angles P-C4'-P energy: -92.364 tors. eta vs tors. theta energy: -60.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1044.769135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.769135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.769135 (E_RNA) where: Base-Base interactions energy: -619.722 where: short stacking energy: -333.731 Base-Backbone interact. energy: 2.747 local terms energy: -427.793247 where: bonds (distance) C4'-P energy: -111.804 bonds (distance) P-C4' energy: -125.728 flat angles C4'-P-C4' energy: -86.949 flat angles P-C4'-P energy: -79.954 tors. eta vs tors. theta energy: -23.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2984.359253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.359253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.359253 (E_RNA) where: Base-Base interactions energy: -2067.291 where: short stacking energy: -891.578 Base-Backbone interact. energy: -2.275 local terms energy: -914.793081 where: bonds (distance) C4'-P energy: -160.026 bonds (distance) P-C4' energy: -178.677 flat angles C4'-P-C4' energy: -188.846 flat angles P-C4'-P energy: -137.141 tors. eta vs tors. theta energy: -250.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2926.315966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.315966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.315966 (E_RNA) where: Base-Base interactions energy: -2059.260 where: short stacking energy: -833.466 Base-Backbone interact. energy: -4.085 local terms energy: -862.970614 where: bonds (distance) C4'-P energy: -153.306 bonds (distance) P-C4' energy: -169.749 flat angles C4'-P-C4' energy: -177.278 flat angles P-C4'-P energy: -127.336 tors. eta vs tors. theta energy: -235.302 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: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2778.036623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.036623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.036623 (E_RNA) where: Base-Base interactions energy: -1910.988 where: short stacking energy: -856.213 Base-Backbone interact. energy: -2.703 local terms energy: -864.345554 where: bonds (distance) C4'-P energy: -155.787 bonds (distance) P-C4' energy: -160.336 flat angles C4'-P-C4' energy: -186.163 flat angles P-C4'-P energy: -123.763 tors. eta vs tors. theta energy: -238.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2630.546014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.546014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.546014 (E_RNA) where: Base-Base interactions energy: -1828.327 where: short stacking energy: -792.024 Base-Backbone interact. energy: 0.796 local terms energy: -803.014513 where: bonds (distance) C4'-P energy: -156.981 bonds (distance) P-C4' energy: -157.036 flat angles C4'-P-C4' energy: -171.298 flat angles P-C4'-P energy: -120.888 tors. eta vs tors. theta energy: -196.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2412.986585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.986585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.986585 (E_RNA) where: Base-Base interactions energy: -1660.602 where: short stacking energy: -714.735 Base-Backbone interact. energy: -3.986 local terms energy: -748.397921 where: bonds (distance) C4'-P energy: -130.438 bonds (distance) P-C4' energy: -158.704 flat angles C4'-P-C4' energy: -166.449 flat angles P-C4'-P energy: -106.276 tors. eta vs tors. theta energy: -186.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2253.252234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.252234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.252234 (E_RNA) where: Base-Base interactions energy: -1562.402 where: short stacking energy: -684.210 Base-Backbone interact. energy: 4.150 local terms energy: -695.000509 where: bonds (distance) C4'-P energy: -133.485 bonds (distance) P-C4' energy: -155.355 flat angles C4'-P-C4' energy: -162.505 flat angles P-C4'-P energy: -88.025 tors. eta vs tors. theta energy: -155.631 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: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2172.331273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.331273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.331273 (E_RNA) where: Base-Base interactions energy: -1515.675 where: short stacking energy: -648.112 Base-Backbone interact. energy: -0.258 local terms energy: -656.398140 where: bonds (distance) C4'-P energy: -126.073 bonds (distance) P-C4' energy: -124.198 flat angles C4'-P-C4' energy: -144.402 flat angles P-C4'-P energy: -100.415 tors. eta vs tors. theta energy: -161.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1847.909498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.909498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.909498 (E_RNA) where: Base-Base interactions energy: -1246.156 where: short stacking energy: -535.082 Base-Backbone interact. energy: 1.263 local terms energy: -603.016100 where: bonds (distance) C4'-P energy: -113.655 bonds (distance) P-C4' energy: -143.152 flat angles C4'-P-C4' energy: -145.844 flat angles P-C4'-P energy: -83.199 tors. eta vs tors. theta energy: -117.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1409.266076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.266076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.266076 (E_RNA) where: Base-Base interactions energy: -900.559 where: short stacking energy: -428.005 Base-Backbone interact. energy: -0.311 local terms energy: -508.395923 where: bonds (distance) C4'-P energy: -116.944 bonds (distance) P-C4' energy: -139.561 flat angles C4'-P-C4' energy: -144.771 flat angles P-C4'-P energy: -50.890 tors. eta vs tors. theta energy: -56.230 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: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1056.160481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.160481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.160481 (E_RNA) where: Base-Base interactions energy: -586.474 where: short stacking energy: -279.076 Base-Backbone interact. energy: 0.270 local terms energy: -469.956613 where: bonds (distance) C4'-P energy: -152.779 bonds (distance) P-C4' energy: -131.205 flat angles C4'-P-C4' energy: -104.810 flat angles P-C4'-P energy: -60.196 tors. eta vs tors. theta energy: -20.967 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: 1, replica: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3027.179249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.179249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.179249 (E_RNA) where: Base-Base interactions energy: -2121.553 where: short stacking energy: -916.930 Base-Backbone interact. energy: -4.432 local terms energy: -901.194205 where: bonds (distance) C4'-P energy: -175.910 bonds (distance) P-C4' energy: -179.714 flat angles C4'-P-C4' energy: -174.502 flat angles P-C4'-P energy: -124.006 tors. eta vs tors. theta energy: -247.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2899.358873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.358873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.358873 (E_RNA) where: Base-Base interactions energy: -2033.849 where: short stacking energy: -825.774 Base-Backbone interact. energy: -4.827 local terms energy: -860.682149 where: bonds (distance) C4'-P energy: -156.349 bonds (distance) P-C4' energy: -173.579 flat angles C4'-P-C4' energy: -183.038 flat angles P-C4'-P energy: -120.897 tors. eta vs tors. theta energy: -226.819 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: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2697.375196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.375196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.375196 (E_RNA) where: Base-Base interactions energy: -1869.766 where: short stacking energy: -802.692 Base-Backbone interact. energy: -2.897 local terms energy: -824.712426 where: bonds (distance) C4'-P energy: -157.783 bonds (distance) P-C4' energy: -142.128 flat angles C4'-P-C4' energy: -182.097 flat angles P-C4'-P energy: -116.829 tors. eta vs tors. theta energy: -225.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2642.369610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.369610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.369610 (E_RNA) where: Base-Base interactions energy: -1828.069 where: short stacking energy: -775.079 Base-Backbone interact. energy: -2.688 local terms energy: -811.612435 where: bonds (distance) C4'-P energy: -144.678 bonds (distance) P-C4' energy: -148.994 flat angles C4'-P-C4' energy: -176.867 flat angles P-C4'-P energy: -120.449 tors. eta vs tors. theta energy: -220.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2362.554406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.554406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.554406 (E_RNA) where: Base-Base interactions energy: -1608.025 where: short stacking energy: -665.767 Base-Backbone interact. energy: -1.416 local terms energy: -753.113624 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: -150.695 flat angles C4'-P-C4' energy: -167.087 flat angles P-C4'-P energy: -121.329 tors. eta vs tors. theta energy: -164.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2280.755777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.755777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.755777 (E_RNA) where: Base-Base interactions energy: -1528.098 where: short stacking energy: -672.621 Base-Backbone interact. energy: -3.775 local terms energy: -748.882741 where: bonds (distance) C4'-P energy: -151.233 bonds (distance) P-C4' energy: -159.945 flat angles C4'-P-C4' energy: -167.160 flat angles P-C4'-P energy: -94.327 tors. eta vs tors. theta energy: -176.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2190.511850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.511850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.511850 (E_RNA) where: Base-Base interactions energy: -1508.941 where: short stacking energy: -633.995 Base-Backbone interact. energy: 0.751 local terms energy: -682.321413 where: bonds (distance) C4'-P energy: -129.151 bonds (distance) P-C4' energy: -156.600 flat angles C4'-P-C4' energy: -142.391 flat angles P-C4'-P energy: -111.084 tors. eta vs tors. theta energy: -143.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1893.363544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.363544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.363544 (E_RNA) where: Base-Base interactions energy: -1291.113 where: short stacking energy: -572.328 Base-Backbone interact. energy: -1.237 local terms energy: -601.013221 where: bonds (distance) C4'-P energy: -115.431 bonds (distance) P-C4' energy: -149.562 flat angles C4'-P-C4' energy: -144.768 flat angles P-C4'-P energy: -74.385 tors. eta vs tors. theta energy: -116.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1381.595792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.595792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.595792 (E_RNA) where: Base-Base interactions energy: -870.240 where: short stacking energy: -361.365 Base-Backbone interact. energy: 7.627 local terms energy: -518.983095 where: bonds (distance) C4'-P energy: -142.366 bonds (distance) P-C4' energy: -137.918 flat angles C4'-P-C4' energy: -124.041 flat angles P-C4'-P energy: -66.489 tors. eta vs tors. theta energy: -48.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1090.488580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.488580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.488580 (E_RNA) where: Base-Base interactions energy: -600.184 where: short stacking energy: -334.027 Base-Backbone interact. energy: -0.284 local terms energy: -490.020716 where: bonds (distance) C4'-P energy: -113.635 bonds (distance) P-C4' energy: -134.647 flat angles C4'-P-C4' energy: -149.446 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -16.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3003.395956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.395956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.395956 (E_RNA) where: Base-Base interactions energy: -2083.672 where: short stacking energy: -869.855 Base-Backbone interact. energy: -4.556 local terms energy: -915.167524 where: bonds (distance) C4'-P energy: -167.837 bonds (distance) P-C4' energy: -167.859 flat angles C4'-P-C4' energy: -195.066 flat angles P-C4'-P energy: -133.165 tors. eta vs tors. theta energy: -251.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2935.684590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.684590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.684590 (E_RNA) where: Base-Base interactions energy: -2066.029 where: short stacking energy: -867.676 Base-Backbone interact. energy: -1.683 local terms energy: -867.973431 where: bonds (distance) C4'-P energy: -160.156 bonds (distance) P-C4' energy: -168.906 flat angles C4'-P-C4' energy: -178.808 flat angles P-C4'-P energy: -137.638 tors. eta vs tors. theta energy: -222.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2727.871439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.871439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.871439 (E_RNA) where: Base-Base interactions energy: -1888.052 where: short stacking energy: -827.421 Base-Backbone interact. energy: -2.294 local terms energy: -837.524859 where: bonds (distance) C4'-P energy: -150.347 bonds (distance) P-C4' energy: -161.005 flat angles C4'-P-C4' energy: -181.059 flat angles P-C4'-P energy: -110.098 tors. eta vs tors. theta energy: -235.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2572.124748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.124748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.124748 (E_RNA) where: Base-Base interactions energy: -1788.167 where: short stacking energy: -766.307 Base-Backbone interact. energy: 0.091 local terms energy: -784.047880 where: bonds (distance) C4'-P energy: -136.403 bonds (distance) P-C4' energy: -158.055 flat angles C4'-P-C4' energy: -179.880 flat angles P-C4'-P energy: -103.645 tors. eta vs tors. theta energy: -206.065 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: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2319.202052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.202052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.202052 (E_RNA) where: Base-Base interactions energy: -1607.160 where: short stacking energy: -685.477 Base-Backbone interact. energy: 0.341 local terms energy: -712.382750 where: bonds (distance) C4'-P energy: -127.807 bonds (distance) P-C4' energy: -146.182 flat angles C4'-P-C4' energy: -182.238 flat angles P-C4'-P energy: -88.174 tors. eta vs tors. theta energy: -167.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2246.689105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.689105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.689105 (E_RNA) where: Base-Base interactions energy: -1541.259 where: short stacking energy: -657.666 Base-Backbone interact. energy: 0.822 local terms energy: -706.252565 where: bonds (distance) C4'-P energy: -122.496 bonds (distance) P-C4' energy: -153.414 flat angles C4'-P-C4' energy: -162.204 flat angles P-C4'-P energy: -113.716 tors. eta vs tors. theta energy: -154.424 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: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2221.355392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.355392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.355392 (E_RNA) where: Base-Base interactions energy: -1522.988 where: short stacking energy: -671.913 Base-Backbone interact. energy: 0.162 local terms energy: -698.529483 where: bonds (distance) C4'-P energy: -129.977 bonds (distance) P-C4' energy: -146.794 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -91.358 tors. eta vs tors. theta energy: -175.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1950.713935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.713935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.713935 (E_RNA) where: Base-Base interactions energy: -1337.807 where: short stacking energy: -565.084 Base-Backbone interact. energy: -0.526 local terms energy: -612.380357 where: bonds (distance) C4'-P energy: -116.001 bonds (distance) P-C4' energy: -150.838 flat angles C4'-P-C4' energy: -159.607 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: -113.673 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: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1349.868326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.868326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.868326 (E_RNA) where: Base-Base interactions energy: -851.158 where: short stacking energy: -407.900 Base-Backbone interact. energy: 2.032 local terms energy: -500.741768 where: bonds (distance) C4'-P energy: -122.527 bonds (distance) P-C4' energy: -133.253 flat angles C4'-P-C4' energy: -128.484 flat angles P-C4'-P energy: -70.577 tors. eta vs tors. theta energy: -45.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1081.140142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.140142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.140142 (E_RNA) where: Base-Base interactions energy: -609.435 where: short stacking energy: -313.873 Base-Backbone interact. energy: -2.498 local terms energy: -469.207155 where: bonds (distance) C4'-P energy: -141.177 bonds (distance) P-C4' energy: -142.981 flat angles C4'-P-C4' energy: -114.762 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -19.965 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: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2977.724276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.724276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.724276 (E_RNA) where: Base-Base interactions energy: -2063.731 where: short stacking energy: -876.377 Base-Backbone interact. energy: -6.304 local terms energy: -907.689238 where: bonds (distance) C4'-P energy: -165.638 bonds (distance) P-C4' energy: -186.602 flat angles C4'-P-C4' energy: -180.329 flat angles P-C4'-P energy: -135.035 tors. eta vs tors. theta energy: -240.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2919.949056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.949056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.949056 (E_RNA) where: Base-Base interactions energy: -2042.259 where: short stacking energy: -852.046 Base-Backbone interact. energy: 0.659 local terms energy: -878.349060 where: bonds (distance) C4'-P energy: -170.283 bonds (distance) P-C4' energy: -160.103 flat angles C4'-P-C4' energy: -190.894 flat angles P-C4'-P energy: -121.326 tors. eta vs tors. theta energy: -235.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2766.311020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.311020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.311020 (E_RNA) where: Base-Base interactions energy: -1878.463 where: short stacking energy: -830.356 Base-Backbone interact. energy: 1.770 local terms energy: -889.618054 where: bonds (distance) C4'-P energy: -166.687 bonds (distance) P-C4' energy: -172.488 flat angles C4'-P-C4' energy: -194.160 flat angles P-C4'-P energy: -119.613 tors. eta vs tors. theta energy: -236.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2633.422716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.422716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.422716 (E_RNA) where: Base-Base interactions energy: -1851.689 where: short stacking energy: -758.334 Base-Backbone interact. energy: -3.384 local terms energy: -778.349349 where: bonds (distance) C4'-P energy: -146.956 bonds (distance) P-C4' energy: -156.637 flat angles C4'-P-C4' energy: -164.632 flat angles P-C4'-P energy: -115.651 tors. eta vs tors. theta energy: -194.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2367.414915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.414915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.414915 (E_RNA) where: Base-Base interactions energy: -1594.696 where: short stacking energy: -716.698 Base-Backbone interact. energy: -1.287 local terms energy: -771.432072 where: bonds (distance) C4'-P energy: -156.120 bonds (distance) P-C4' energy: -162.063 flat angles C4'-P-C4' energy: -172.553 flat angles P-C4'-P energy: -93.390 tors. eta vs tors. theta energy: -187.306 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: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2280.473080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.473080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.473080 (E_RNA) where: Base-Base interactions energy: -1541.840 where: short stacking energy: -654.640 Base-Backbone interact. energy: 0.605 local terms energy: -739.238751 where: bonds (distance) C4'-P energy: -144.861 bonds (distance) P-C4' energy: -153.911 flat angles C4'-P-C4' energy: -166.415 flat angles P-C4'-P energy: -102.507 tors. eta vs tors. theta energy: -171.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2062.405459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.405459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.405459 (E_RNA) where: Base-Base interactions energy: -1408.112 where: short stacking energy: -594.462 Base-Backbone interact. energy: -3.768 local terms energy: -650.525174 where: bonds (distance) C4'-P energy: -128.082 bonds (distance) P-C4' energy: -153.381 flat angles C4'-P-C4' energy: -145.936 flat angles P-C4'-P energy: -93.775 tors. eta vs tors. theta energy: -129.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -2010.005505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.005505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.005505 (E_RNA) where: Base-Base interactions energy: -1385.525 where: short stacking energy: -598.255 Base-Backbone interact. energy: -2.772 local terms energy: -621.708208 where: bonds (distance) C4'-P energy: -119.756 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -150.055 flat angles P-C4'-P energy: -95.423 tors. eta vs tors. theta energy: -121.799 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: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1344.840514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.840514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.840514 (E_RNA) where: Base-Base interactions energy: -804.913 where: short stacking energy: -397.175 Base-Backbone interact. energy: 1.670 local terms energy: -541.597540 where: bonds (distance) C4'-P energy: -128.773 bonds (distance) P-C4' energy: -113.351 flat angles C4'-P-C4' energy: -122.862 flat angles P-C4'-P energy: -109.092 tors. eta vs tors. theta energy: -67.520 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: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1126.997551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.997551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.997551 (E_RNA) where: Base-Base interactions energy: -633.945 where: short stacking energy: -334.587 Base-Backbone interact. energy: 1.381 local terms energy: -494.433743 where: bonds (distance) C4'-P energy: -132.360 bonds (distance) P-C4' energy: -131.748 flat angles C4'-P-C4' energy: -115.070 flat angles P-C4'-P energy: -73.971 tors. eta vs tors. theta energy: -41.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3020.695594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.695594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.695594 (E_RNA) where: Base-Base interactions energy: -2125.928 where: short stacking energy: -904.179 Base-Backbone interact. energy: -3.818 local terms energy: -890.949296 where: bonds (distance) C4'-P energy: -171.135 bonds (distance) P-C4' energy: -167.443 flat angles C4'-P-C4' energy: -194.558 flat angles P-C4'-P energy: -120.827 tors. eta vs tors. theta energy: -236.986 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: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2905.591061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.591061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.591061 (E_RNA) where: Base-Base interactions energy: -2040.283 where: short stacking energy: -847.970 Base-Backbone interact. energy: -1.725 local terms energy: -863.583337 where: bonds (distance) C4'-P energy: -141.546 bonds (distance) P-C4' energy: -180.398 flat angles C4'-P-C4' energy: -185.969 flat angles P-C4'-P energy: -115.653 tors. eta vs tors. theta energy: -240.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2761.566181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.566181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.566181 (E_RNA) where: Base-Base interactions energy: -1932.533 where: short stacking energy: -835.156 Base-Backbone interact. energy: -1.670 local terms energy: -827.363500 where: bonds (distance) C4'-P energy: -149.248 bonds (distance) P-C4' energy: -152.669 flat angles C4'-P-C4' energy: -186.965 flat angles P-C4'-P energy: -109.359 tors. eta vs tors. theta energy: -229.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2632.658998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.658998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.658998 (E_RNA) where: Base-Base interactions energy: -1871.904 where: short stacking energy: -799.344 Base-Backbone interact. energy: -3.869 local terms energy: -756.885297 where: bonds (distance) C4'-P energy: -140.090 bonds (distance) P-C4' energy: -151.763 flat angles C4'-P-C4' energy: -163.679 flat angles P-C4'-P energy: -99.748 tors. eta vs tors. theta energy: -201.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2337.163541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.163541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.163541 (E_RNA) where: Base-Base interactions energy: -1581.020 where: short stacking energy: -704.938 Base-Backbone interact. energy: -2.231 local terms energy: -753.912653 where: bonds (distance) C4'-P energy: -152.382 bonds (distance) P-C4' energy: -132.776 flat angles C4'-P-C4' energy: -178.138 flat angles P-C4'-P energy: -108.054 tors. eta vs tors. theta energy: -182.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2253.528437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.528437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.528437 (E_RNA) where: Base-Base interactions energy: -1551.566 where: short stacking energy: -693.239 Base-Backbone interact. energy: -1.054 local terms energy: -700.908420 where: bonds (distance) C4'-P energy: -124.775 bonds (distance) P-C4' energy: -150.741 flat angles C4'-P-C4' energy: -159.046 flat angles P-C4'-P energy: -112.075 tors. eta vs tors. theta energy: -154.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2009.289014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.289014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.289014 (E_RNA) where: Base-Base interactions energy: -1343.460 where: short stacking energy: -612.252 Base-Backbone interact. energy: -0.513 local terms energy: -665.315992 where: bonds (distance) C4'-P energy: -137.831 bonds (distance) P-C4' energy: -147.442 flat angles C4'-P-C4' energy: -161.709 flat angles P-C4'-P energy: -93.667 tors. eta vs tors. theta energy: -124.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -2056.927519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.927519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.927519 (E_RNA) where: Base-Base interactions energy: -1372.359 where: short stacking energy: -584.784 Base-Backbone interact. energy: 0.876 local terms energy: -685.444430 where: bonds (distance) C4'-P energy: -146.617 bonds (distance) P-C4' energy: -149.746 flat angles C4'-P-C4' energy: -150.543 flat angles P-C4'-P energy: -102.526 tors. eta vs tors. theta energy: -136.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1384.556849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.556849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.556849 (E_RNA) where: Base-Base interactions energy: -844.910 where: short stacking energy: -375.503 Base-Backbone interact. energy: 4.337 local terms energy: -543.983767 where: bonds (distance) C4'-P energy: -141.523 bonds (distance) P-C4' energy: -143.957 flat angles C4'-P-C4' energy: -114.028 flat angles P-C4'-P energy: -84.230 tors. eta vs tors. theta energy: -60.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1106.723346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.723346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.723346 (E_RNA) where: Base-Base interactions energy: -633.859 where: short stacking energy: -305.471 Base-Backbone interact. energy: -0.902 local terms energy: -471.962027 where: bonds (distance) C4'-P energy: -117.029 bonds (distance) P-C4' energy: -130.963 flat angles C4'-P-C4' energy: -134.005 flat angles P-C4'-P energy: -66.250 tors. eta vs tors. theta energy: -23.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2955.592126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.592126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.592126 (E_RNA) where: Base-Base interactions energy: -2031.748 where: short stacking energy: -882.947 Base-Backbone interact. energy: -2.807 local terms energy: -921.036631 where: bonds (distance) C4'-P energy: -168.939 bonds (distance) P-C4' energy: -185.328 flat angles C4'-P-C4' energy: -187.416 flat angles P-C4'-P energy: -139.048 tors. eta vs tors. theta energy: -240.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2915.466768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.466768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.466768 (E_RNA) where: Base-Base interactions energy: -2045.480 where: short stacking energy: -840.598 Base-Backbone interact. energy: -7.172 local terms energy: -862.814569 where: bonds (distance) C4'-P energy: -149.679 bonds (distance) P-C4' energy: -175.867 flat angles C4'-P-C4' energy: -186.781 flat angles P-C4'-P energy: -120.469 tors. eta vs tors. theta energy: -230.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2712.948594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.948594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.948594 (E_RNA) where: Base-Base interactions energy: -1855.763 where: short stacking energy: -824.952 Base-Backbone interact. energy: 0.121 local terms energy: -857.306861 where: bonds (distance) C4'-P energy: -156.029 bonds (distance) P-C4' energy: -158.496 flat angles C4'-P-C4' energy: -188.213 flat angles P-C4'-P energy: -114.491 tors. eta vs tors. theta energy: -240.078 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: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2632.520810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.520810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.520810 (E_RNA) where: Base-Base interactions energy: -1859.241 where: short stacking energy: -789.626 Base-Backbone interact. energy: -4.906 local terms energy: -768.373915 where: bonds (distance) C4'-P energy: -146.418 bonds (distance) P-C4' energy: -143.446 flat angles C4'-P-C4' energy: -170.745 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -195.869 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: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2390.494815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.494815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.494815 (E_RNA) where: Base-Base interactions energy: -1673.889 where: short stacking energy: -687.729 Base-Backbone interact. energy: -1.686 local terms energy: -714.919433 where: bonds (distance) C4'-P energy: -144.855 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -156.903 flat angles P-C4'-P energy: -100.486 tors. eta vs tors. theta energy: -173.603 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: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2267.963641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.963641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.963641 (E_RNA) where: Base-Base interactions energy: -1544.248 where: short stacking energy: -677.945 Base-Backbone interact. energy: 0.946 local terms energy: -724.662296 where: bonds (distance) C4'-P energy: -130.949 bonds (distance) P-C4' energy: -124.930 flat angles C4'-P-C4' energy: -176.954 flat angles P-C4'-P energy: -114.561 tors. eta vs tors. theta energy: -177.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2020.340214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.340214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.340214 (E_RNA) where: Base-Base interactions energy: -1379.395 where: short stacking energy: -600.274 Base-Backbone interact. energy: 6.556 local terms energy: -647.501481 where: bonds (distance) C4'-P energy: -144.065 bonds (distance) P-C4' energy: -140.381 flat angles C4'-P-C4' energy: -132.489 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -131.191 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1942.564236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.564236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.564236 (E_RNA) where: Base-Base interactions energy: -1301.448 where: short stacking energy: -579.970 Base-Backbone interact. energy: 4.661 local terms energy: -645.777585 where: bonds (distance) C4'-P energy: -131.119 bonds (distance) P-C4' energy: -145.239 flat angles C4'-P-C4' energy: -152.748 flat angles P-C4'-P energy: -82.610 tors. eta vs tors. theta energy: -134.062 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: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1363.848337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.848337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.848337 (E_RNA) where: Base-Base interactions energy: -816.832 where: short stacking energy: -388.252 Base-Backbone interact. energy: 2.074 local terms energy: -549.090177 where: bonds (distance) C4'-P energy: -121.491 bonds (distance) P-C4' energy: -147.766 flat angles C4'-P-C4' energy: -131.907 flat angles P-C4'-P energy: -87.058 tors. eta vs tors. theta energy: -60.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1009.462267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.462267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.462267 (E_RNA) where: Base-Base interactions energy: -586.917 where: short stacking energy: -304.770 Base-Backbone interact. energy: 0.792 local terms energy: -423.337393 where: bonds (distance) C4'-P energy: -126.603 bonds (distance) P-C4' energy: -142.284 flat angles C4'-P-C4' energy: -100.253 flat angles P-C4'-P energy: -57.269 tors. eta vs tors. theta energy: 3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2993.681585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.681585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.681585 (E_RNA) where: Base-Base interactions energy: -2084.898 where: short stacking energy: -899.481 Base-Backbone interact. energy: -2.527 local terms energy: -906.256541 where: bonds (distance) C4'-P energy: -172.047 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -193.954 flat angles P-C4'-P energy: -142.741 tors. eta vs tors. theta energy: -248.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2947.985506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.985506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.985506 (E_RNA) where: Base-Base interactions energy: -2075.758 where: short stacking energy: -877.336 Base-Backbone interact. energy: -6.375 local terms energy: -865.852106 where: bonds (distance) C4'-P energy: -143.064 bonds (distance) P-C4' energy: -158.319 flat angles C4'-P-C4' energy: -188.038 flat angles P-C4'-P energy: -127.756 tors. eta vs tors. theta energy: -248.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2725.736280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.736280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.736280 (E_RNA) where: Base-Base interactions energy: -1862.197 where: short stacking energy: -818.929 Base-Backbone interact. energy: 0.666 local terms energy: -864.204808 where: bonds (distance) C4'-P energy: -175.034 bonds (distance) P-C4' energy: -155.259 flat angles C4'-P-C4' energy: -186.717 flat angles P-C4'-P energy: -105.484 tors. eta vs tors. theta energy: -241.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2603.740536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.740536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.740536 (E_RNA) where: Base-Base interactions energy: -1808.810 where: short stacking energy: -786.709 Base-Backbone interact. energy: -6.995 local terms energy: -787.936316 where: bonds (distance) C4'-P energy: -139.878 bonds (distance) P-C4' energy: -155.101 flat angles C4'-P-C4' energy: -179.627 flat angles P-C4'-P energy: -109.014 tors. eta vs tors. theta energy: -204.317 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: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2434.396590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.396590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.396590 (E_RNA) where: Base-Base interactions energy: -1711.182 where: short stacking energy: -747.563 Base-Backbone interact. energy: 4.680 local terms energy: -727.894430 where: bonds (distance) C4'-P energy: -136.844 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -174.460 flat angles P-C4'-P energy: -97.268 tors. eta vs tors. theta energy: -185.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2296.918882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.918882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.918882 (E_RNA) where: Base-Base interactions energy: -1573.412 where: short stacking energy: -714.415 Base-Backbone interact. energy: 1.714 local terms energy: -725.221361 where: bonds (distance) C4'-P energy: -146.250 bonds (distance) P-C4' energy: -142.948 flat angles C4'-P-C4' energy: -162.467 flat angles P-C4'-P energy: -88.471 tors. eta vs tors. theta energy: -185.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2122.209053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.209053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.209053 (E_RNA) where: Base-Base interactions energy: -1410.869 where: short stacking energy: -633.763 Base-Backbone interact. energy: -3.186 local terms energy: -708.154035 where: bonds (distance) C4'-P energy: -149.429 bonds (distance) P-C4' energy: -136.103 flat angles C4'-P-C4' energy: -160.896 flat angles P-C4'-P energy: -98.019 tors. eta vs tors. theta energy: -163.707 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: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1910.396246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.396246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.396246 (E_RNA) where: Base-Base interactions energy: -1282.293 where: short stacking energy: -570.878 Base-Backbone interact. energy: -1.547 local terms energy: -626.556740 where: bonds (distance) C4'-P energy: -126.375 bonds (distance) P-C4' energy: -130.161 flat angles C4'-P-C4' energy: -148.213 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -129.577 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: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1380.649275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.649275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.649275 (E_RNA) where: Base-Base interactions energy: -858.827 where: short stacking energy: -412.960 Base-Backbone interact. energy: 3.263 local terms energy: -525.085163 where: bonds (distance) C4'-P energy: -123.897 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -132.541 flat angles P-C4'-P energy: -68.126 tors. eta vs tors. theta energy: -53.457 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: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -971.593247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.593247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.593247 (E_RNA) where: Base-Base interactions energy: -533.433 where: short stacking energy: -266.065 Base-Backbone interact. energy: -0.270 local terms energy: -437.890128 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -126.576 flat angles C4'-P-C4' energy: -115.300 flat angles P-C4'-P energy: -72.446 tors. eta vs tors. theta energy: -7.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3021.890412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.890412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.890412 (E_RNA) where: Base-Base interactions energy: -2093.561 where: short stacking energy: -884.327 Base-Backbone interact. energy: -5.692 local terms energy: -922.637502 where: bonds (distance) C4'-P energy: -174.968 bonds (distance) P-C4' energy: -164.099 flat angles C4'-P-C4' energy: -198.911 flat angles P-C4'-P energy: -128.620 tors. eta vs tors. theta energy: -256.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2949.331978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.331978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.331978 (E_RNA) where: Base-Base interactions energy: -2067.323 where: short stacking energy: -854.972 Base-Backbone interact. energy: -2.628 local terms energy: -879.380186 where: bonds (distance) C4'-P energy: -164.340 bonds (distance) P-C4' energy: -177.040 flat angles C4'-P-C4' energy: -192.865 flat angles P-C4'-P energy: -110.577 tors. eta vs tors. theta energy: -234.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2707.700236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.700236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.700236 (E_RNA) where: Base-Base interactions energy: -1861.997 where: short stacking energy: -835.218 Base-Backbone interact. energy: -3.720 local terms energy: -841.983114 where: bonds (distance) C4'-P energy: -161.364 bonds (distance) P-C4' energy: -156.546 flat angles C4'-P-C4' energy: -182.830 flat angles P-C4'-P energy: -111.686 tors. eta vs tors. theta energy: -229.558 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: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2617.431325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.431325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.431325 (E_RNA) where: Base-Base interactions energy: -1788.675 where: short stacking energy: -813.102 Base-Backbone interact. energy: -4.741 local terms energy: -824.015191 where: bonds (distance) C4'-P energy: -152.119 bonds (distance) P-C4' energy: -159.432 flat angles C4'-P-C4' energy: -183.982 flat angles P-C4'-P energy: -110.586 tors. eta vs tors. theta energy: -217.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2443.123007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.123007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.123007 (E_RNA) where: Base-Base interactions energy: -1685.189 where: short stacking energy: -716.545 Base-Backbone interact. energy: 4.560 local terms energy: -762.494115 where: bonds (distance) C4'-P energy: -138.940 bonds (distance) P-C4' energy: -145.012 flat angles C4'-P-C4' energy: -176.573 flat angles P-C4'-P energy: -115.004 tors. eta vs tors. theta energy: -186.964 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: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2249.925733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.925733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.925733 (E_RNA) where: Base-Base interactions energy: -1557.372 where: short stacking energy: -693.230 Base-Backbone interact. energy: 0.291 local terms energy: -692.844048 where: bonds (distance) C4'-P energy: -127.724 bonds (distance) P-C4' energy: -139.490 flat angles C4'-P-C4' energy: -151.309 flat angles P-C4'-P energy: -99.081 tors. eta vs tors. theta energy: -175.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2167.317984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.317984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.317984 (E_RNA) where: Base-Base interactions energy: -1467.417 where: short stacking energy: -638.953 Base-Backbone interact. energy: -1.625 local terms energy: -698.276119 where: bonds (distance) C4'-P energy: -122.948 bonds (distance) P-C4' energy: -136.549 flat angles C4'-P-C4' energy: -162.268 flat angles P-C4'-P energy: -102.874 tors. eta vs tors. theta energy: -173.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1952.011098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.011098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.011098 (E_RNA) where: Base-Base interactions energy: -1319.178 where: short stacking energy: -576.171 Base-Backbone interact. energy: 2.135 local terms energy: -634.968752 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -142.767 flat angles C4'-P-C4' energy: -154.383 flat angles P-C4'-P energy: -89.877 tors. eta vs tors. theta energy: -135.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1414.292568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.292568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.292568 (E_RNA) where: Base-Base interactions energy: -857.530 where: short stacking energy: -390.550 Base-Backbone interact. energy: -3.626 local terms energy: -553.136629 where: bonds (distance) C4'-P energy: -151.290 bonds (distance) P-C4' energy: -151.488 flat angles C4'-P-C4' energy: -130.358 flat angles P-C4'-P energy: -77.526 tors. eta vs tors. theta energy: -42.474 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: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -977.670725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.670725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.670725 (E_RNA) where: Base-Base interactions energy: -529.044 where: short stacking energy: -282.665 Base-Backbone interact. energy: 0.219 local terms energy: -448.845383 where: bonds (distance) C4'-P energy: -111.655 bonds (distance) P-C4' energy: -129.795 flat angles C4'-P-C4' energy: -109.652 flat angles P-C4'-P energy: -77.504 tors. eta vs tors. theta energy: -20.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3000.028601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.028601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.028601 (E_RNA) where: Base-Base interactions energy: -2098.876 where: short stacking energy: -899.478 Base-Backbone interact. energy: -1.493 local terms energy: -899.659802 where: bonds (distance) C4'-P energy: -172.106 bonds (distance) P-C4' energy: -162.526 flat angles C4'-P-C4' energy: -188.081 flat angles P-C4'-P energy: -125.393 tors. eta vs tors. theta energy: -251.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2904.731607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.731607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.731607 (E_RNA) where: Base-Base interactions energy: -2019.051 where: short stacking energy: -857.904 Base-Backbone interact. energy: -3.609 local terms energy: -882.071529 where: bonds (distance) C4'-P energy: -171.842 bonds (distance) P-C4' energy: -160.210 flat angles C4'-P-C4' energy: -186.616 flat angles P-C4'-P energy: -128.758 tors. eta vs tors. theta energy: -234.645 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: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2729.759519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.759519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.759519 (E_RNA) where: Base-Base interactions energy: -1865.070 where: short stacking energy: -831.345 Base-Backbone interact. energy: -0.380 local terms energy: -864.310109 where: bonds (distance) C4'-P energy: -175.363 bonds (distance) P-C4' energy: -155.392 flat angles C4'-P-C4' energy: -186.059 flat angles P-C4'-P energy: -116.631 tors. eta vs tors. theta energy: -230.865 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: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2582.413159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.413159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.413159 (E_RNA) where: Base-Base interactions energy: -1792.181 where: short stacking energy: -769.813 Base-Backbone interact. energy: -2.719 local terms energy: -787.512721 where: bonds (distance) C4'-P energy: -146.200 bonds (distance) P-C4' energy: -144.412 flat angles C4'-P-C4' energy: -170.463 flat angles P-C4'-P energy: -116.013 tors. eta vs tors. theta energy: -210.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2436.817789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.817789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.817789 (E_RNA) where: Base-Base interactions energy: -1632.964 where: short stacking energy: -687.000 Base-Backbone interact. energy: -3.623 local terms energy: -800.231010 where: bonds (distance) C4'-P energy: -135.145 bonds (distance) P-C4' energy: -155.105 flat angles C4'-P-C4' energy: -178.182 flat angles P-C4'-P energy: -131.794 tors. eta vs tors. theta energy: -200.005 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: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2285.853081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.853081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.853081 (E_RNA) where: Base-Base interactions energy: -1559.838 where: short stacking energy: -703.815 Base-Backbone interact. energy: 1.931 local terms energy: -727.945679 where: bonds (distance) C4'-P energy: -123.751 bonds (distance) P-C4' energy: -156.860 flat angles C4'-P-C4' energy: -178.462 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -175.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2124.660075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.660075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.660075 (E_RNA) where: Base-Base interactions energy: -1406.480 where: short stacking energy: -599.533 Base-Backbone interact. energy: -0.741 local terms energy: -717.439032 where: bonds (distance) C4'-P energy: -138.836 bonds (distance) P-C4' energy: -164.355 flat angles C4'-P-C4' energy: -158.735 flat angles P-C4'-P energy: -106.340 tors. eta vs tors. theta energy: -149.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1925.392883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.392883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.392883 (E_RNA) where: Base-Base interactions energy: -1302.838 where: short stacking energy: -554.158 Base-Backbone interact. energy: -4.065 local terms energy: -618.489811 where: bonds (distance) C4'-P energy: -118.097 bonds (distance) P-C4' energy: -127.214 flat angles C4'-P-C4' energy: -152.933 flat angles P-C4'-P energy: -86.911 tors. eta vs tors. theta energy: -133.334 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: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1447.205536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.205536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.205536 (E_RNA) where: Base-Base interactions energy: -905.361 where: short stacking energy: -423.622 Base-Backbone interact. energy: -2.671 local terms energy: -539.173732 where: bonds (distance) C4'-P energy: -120.535 bonds (distance) P-C4' energy: -157.494 flat angles C4'-P-C4' energy: -127.474 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: -56.559 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: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1006.293270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.293270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.293270 (E_RNA) where: Base-Base interactions energy: -556.485 where: short stacking energy: -252.962 Base-Backbone interact. energy: -3.774 local terms energy: -446.033923 where: bonds (distance) C4'-P energy: -120.107 bonds (distance) P-C4' energy: -154.171 flat angles C4'-P-C4' energy: -107.394 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: 3.868 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: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3020.997039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.997039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.997039 (E_RNA) where: Base-Base interactions energy: -2088.871 where: short stacking energy: -903.337 Base-Backbone interact. energy: -4.782 local terms energy: -927.344047 where: bonds (distance) C4'-P energy: -171.386 bonds (distance) P-C4' energy: -174.995 flat angles C4'-P-C4' energy: -186.954 flat angles P-C4'-P energy: -141.833 tors. eta vs tors. theta energy: -252.176 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: 297 Temperature: 0.950000 Total energy: -2939.829742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.829742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.829742 (E_RNA) where: Base-Base interactions energy: -2035.177 where: short stacking energy: -855.932 Base-Backbone interact. energy: -5.176 local terms energy: -899.476072 where: bonds (distance) C4'-P energy: -148.935 bonds (distance) P-C4' energy: -172.412 flat angles C4'-P-C4' energy: -193.877 flat angles P-C4'-P energy: -135.866 tors. eta vs tors. theta energy: -248.386 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: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2709.240714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.240714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.240714 (E_RNA) where: Base-Base interactions energy: -1842.351 where: short stacking energy: -795.300 Base-Backbone interact. energy: 0.294 local terms energy: -867.183733 where: bonds (distance) C4'-P energy: -164.706 bonds (distance) P-C4' energy: -155.236 flat angles C4'-P-C4' energy: -195.300 flat angles P-C4'-P energy: -134.729 tors. eta vs tors. theta energy: -217.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2574.023137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.023137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.023137 (E_RNA) where: Base-Base interactions energy: -1798.358 where: short stacking energy: -764.900 Base-Backbone interact. energy: -5.502 local terms energy: -770.163207 where: bonds (distance) C4'-P energy: -126.225 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -181.160 flat angles P-C4'-P energy: -103.185 tors. eta vs tors. theta energy: -208.213 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: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2476.067988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.067988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.067988 (E_RNA) where: Base-Base interactions energy: -1659.986 where: short stacking energy: -732.837 Base-Backbone interact. energy: -1.164 local terms energy: -814.918061 where: bonds (distance) C4'-P energy: -154.724 bonds (distance) P-C4' energy: -152.907 flat angles C4'-P-C4' energy: -175.508 flat angles P-C4'-P energy: -115.173 tors. eta vs tors. theta energy: -216.606 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: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2246.698403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.698403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.698403 (E_RNA) where: Base-Base interactions energy: -1546.832 where: short stacking energy: -676.466 Base-Backbone interact. energy: -5.049 local terms energy: -694.817867 where: bonds (distance) C4'-P energy: -129.785 bonds (distance) P-C4' energy: -155.080 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -87.236 tors. eta vs tors. theta energy: -160.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2121.295476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.295476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.295476 (E_RNA) where: Base-Base interactions energy: -1429.655 where: short stacking energy: -636.544 Base-Backbone interact. energy: 4.700 local terms energy: -696.340404 where: bonds (distance) C4'-P energy: -123.307 bonds (distance) P-C4' energy: -146.104 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -109.636 tors. eta vs tors. theta energy: -157.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1943.485242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.485242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.485242 (E_RNA) where: Base-Base interactions energy: -1330.936 where: short stacking energy: -582.904 Base-Backbone interact. energy: 1.168 local terms energy: -613.716474 where: bonds (distance) C4'-P energy: -134.984 bonds (distance) P-C4' energy: -137.579 flat angles C4'-P-C4' energy: -137.888 flat angles P-C4'-P energy: -81.181 tors. eta vs tors. theta energy: -122.085 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: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1446.187490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.187490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.187490 (E_RNA) where: Base-Base interactions energy: -908.048 where: short stacking energy: -428.885 Base-Backbone interact. energy: 2.497 local terms energy: -540.636008 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -149.235 flat angles C4'-P-C4' energy: -122.496 flat angles P-C4'-P energy: -63.905 tors. eta vs tors. theta energy: -68.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1124.810734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.810734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.810734 (E_RNA) where: Base-Base interactions energy: -625.364 where: short stacking energy: -287.356 Base-Backbone interact. energy: -4.570 local terms energy: -494.876409 where: bonds (distance) C4'-P energy: -129.176 bonds (distance) P-C4' energy: -156.589 flat angles C4'-P-C4' energy: -116.337 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -25.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3002.299773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.299773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.299773 (E_RNA) where: Base-Base interactions energy: -2077.059 where: short stacking energy: -889.362 Base-Backbone interact. energy: -2.349 local terms energy: -922.891413 where: bonds (distance) C4'-P energy: -181.323 bonds (distance) P-C4' energy: -170.856 flat angles C4'-P-C4' energy: -189.600 flat angles P-C4'-P energy: -125.027 tors. eta vs tors. theta energy: -256.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2901.893166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.893166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.893166 (E_RNA) where: Base-Base interactions energy: -2020.496 where: short stacking energy: -847.518 Base-Backbone interact. energy: -3.700 local terms energy: -877.697215 where: bonds (distance) C4'-P energy: -161.315 bonds (distance) P-C4' energy: -171.221 flat angles C4'-P-C4' energy: -178.067 flat angles P-C4'-P energy: -123.966 tors. eta vs tors. theta energy: -243.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2660.705934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.705934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.705934 (E_RNA) where: Base-Base interactions energy: -1831.549 where: short stacking energy: -789.925 Base-Backbone interact. energy: -0.287 local terms energy: -828.869488 where: bonds (distance) C4'-P energy: -160.658 bonds (distance) P-C4' energy: -165.319 flat angles C4'-P-C4' energy: -164.641 flat angles P-C4'-P energy: -129.189 tors. eta vs tors. theta energy: -209.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2574.156175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.156175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.156175 (E_RNA) where: Base-Base interactions energy: -1779.250 where: short stacking energy: -768.512 Base-Backbone interact. energy: -4.485 local terms energy: -790.420810 where: bonds (distance) C4'-P energy: -156.751 bonds (distance) P-C4' energy: -139.360 flat angles C4'-P-C4' energy: -188.572 flat angles P-C4'-P energy: -100.477 tors. eta vs tors. theta energy: -205.262 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: 298 Temperature: 1.100000 Total energy: -2459.960503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.960503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.960503 (E_RNA) where: Base-Base interactions energy: -1698.178 where: short stacking energy: -742.263 Base-Backbone interact. energy: 0.334 local terms energy: -762.117001 where: bonds (distance) C4'-P energy: -134.647 bonds (distance) P-C4' energy: -157.308 flat angles C4'-P-C4' energy: -163.698 flat angles P-C4'-P energy: -102.235 tors. eta vs tors. theta energy: -204.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2222.092168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.092168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.092168 (E_RNA) where: Base-Base interactions energy: -1500.960 where: short stacking energy: -654.212 Base-Backbone interact. energy: 1.951 local terms energy: -723.082730 where: bonds (distance) C4'-P energy: -157.635 bonds (distance) P-C4' energy: -142.341 flat angles C4'-P-C4' energy: -164.322 flat angles P-C4'-P energy: -111.676 tors. eta vs tors. theta energy: -147.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2139.331681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.331681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.331681 (E_RNA) where: Base-Base interactions energy: -1460.256 where: short stacking energy: -636.776 Base-Backbone interact. energy: -1.369 local terms energy: -677.707114 where: bonds (distance) C4'-P energy: -129.223 bonds (distance) P-C4' energy: -137.229 flat angles C4'-P-C4' energy: -171.281 flat angles P-C4'-P energy: -85.516 tors. eta vs tors. theta energy: -154.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1981.247917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.247917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.247917 (E_RNA) where: Base-Base interactions energy: -1344.110 where: short stacking energy: -585.541 Base-Backbone interact. energy: -3.548 local terms energy: -633.589641 where: bonds (distance) C4'-P energy: -102.557 bonds (distance) P-C4' energy: -129.729 flat angles C4'-P-C4' energy: -155.015 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -149.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1333.058478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.058478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.058478 (E_RNA) where: Base-Base interactions energy: -831.064 where: short stacking energy: -393.782 Base-Backbone interact. energy: 2.271 local terms energy: -504.264647 where: bonds (distance) C4'-P energy: -125.250 bonds (distance) P-C4' energy: -138.888 flat angles C4'-P-C4' energy: -124.179 flat angles P-C4'-P energy: -77.759 tors. eta vs tors. theta energy: -38.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1138.285505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.285505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.285505 (E_RNA) where: Base-Base interactions energy: -686.203 where: short stacking energy: -357.011 Base-Backbone interact. energy: -1.848 local terms energy: -450.234196 where: bonds (distance) C4'-P energy: -123.895 bonds (distance) P-C4' energy: -120.989 flat angles C4'-P-C4' energy: -108.860 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -21.581 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: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3014.357782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.357782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.357782 (E_RNA) where: Base-Base interactions energy: -2096.608 where: short stacking energy: -897.802 Base-Backbone interact. energy: -5.897 local terms energy: -911.852536 where: bonds (distance) C4'-P energy: -177.559 bonds (distance) P-C4' energy: -173.031 flat angles C4'-P-C4' energy: -180.361 flat angles P-C4'-P energy: -126.330 tors. eta vs tors. theta energy: -254.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2868.478188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.478188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.478188 (E_RNA) where: Base-Base interactions energy: -2005.854 where: short stacking energy: -844.581 Base-Backbone interact. energy: -4.832 local terms energy: -857.792708 where: bonds (distance) C4'-P energy: -138.816 bonds (distance) P-C4' energy: -164.001 flat angles C4'-P-C4' energy: -183.520 flat angles P-C4'-P energy: -133.401 tors. eta vs tors. theta energy: -238.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2747.900978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.900978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.900978 (E_RNA) where: Base-Base interactions energy: -1897.401 where: short stacking energy: -826.156 Base-Backbone interact. energy: -4.480 local terms energy: -846.020384 where: bonds (distance) C4'-P energy: -162.811 bonds (distance) P-C4' energy: -161.050 flat angles C4'-P-C4' energy: -184.734 flat angles P-C4'-P energy: -117.404 tors. eta vs tors. theta energy: -220.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2612.652239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.652239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.652239 (E_RNA) where: Base-Base interactions energy: -1797.140 where: short stacking energy: -797.378 Base-Backbone interact. energy: -1.355 local terms energy: -814.156784 where: bonds (distance) C4'-P energy: -150.341 bonds (distance) P-C4' energy: -161.673 flat angles C4'-P-C4' energy: -177.400 flat angles P-C4'-P energy: -118.843 tors. eta vs tors. theta energy: -205.899 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: 5, replica: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2441.186626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.186626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.186626 (E_RNA) where: Base-Base interactions energy: -1674.719 where: short stacking energy: -754.125 Base-Backbone interact. energy: -2.270 local terms energy: -764.197791 where: bonds (distance) C4'-P energy: -148.662 bonds (distance) P-C4' energy: -143.996 flat angles C4'-P-C4' energy: -162.441 flat angles P-C4'-P energy: -113.314 tors. eta vs tors. theta energy: -195.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2278.543515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.543515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.543515 (E_RNA) where: Base-Base interactions energy: -1533.090 where: short stacking energy: -656.015 Base-Backbone interact. energy: -0.899 local terms energy: -744.554386 where: bonds (distance) C4'-P energy: -155.753 bonds (distance) P-C4' energy: -150.160 flat angles C4'-P-C4' energy: -172.054 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -161.609 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: 299 Temperature: 1.200000 Total energy: -2140.739082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.739082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.739082 (E_RNA) where: Base-Base interactions energy: -1442.462 where: short stacking energy: -637.838 Base-Backbone interact. energy: 0.952 local terms energy: -699.228911 where: bonds (distance) C4'-P energy: -132.408 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -152.338 flat angles P-C4'-P energy: -94.402 tors. eta vs tors. theta energy: -166.949 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: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -2018.272407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.272407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.272407 (E_RNA) where: Base-Base interactions energy: -1341.132 where: short stacking energy: -594.313 Base-Backbone interact. energy: -0.222 local terms energy: -676.918392 where: bonds (distance) C4'-P energy: -132.228 bonds (distance) P-C4' energy: -146.106 flat angles C4'-P-C4' energy: -151.294 flat angles P-C4'-P energy: -108.764 tors. eta vs tors. theta energy: -138.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1321.823984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.823984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.823984 (E_RNA) where: Base-Base interactions energy: -783.563 where: short stacking energy: -380.911 Base-Backbone interact. energy: 1.063 local terms energy: -539.324094 where: bonds (distance) C4'-P energy: -147.836 bonds (distance) P-C4' energy: -138.101 flat angles C4'-P-C4' energy: -121.975 flat angles P-C4'-P energy: -80.700 tors. eta vs tors. theta energy: -50.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1157.276604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.276604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.276604 (E_RNA) where: Base-Base interactions energy: -680.845 where: short stacking energy: -345.155 Base-Backbone interact. energy: 4.028 local terms energy: -480.460132 where: bonds (distance) C4'-P energy: -104.927 bonds (distance) P-C4' energy: -148.613 flat angles C4'-P-C4' energy: -138.052 flat angles P-C4'-P energy: -71.348 tors. eta vs tors. theta energy: -17.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3004.970080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.970080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.970080 (E_RNA) where: Base-Base interactions energy: -2084.637 where: short stacking energy: -887.911 Base-Backbone interact. energy: -1.946 local terms energy: -918.387632 where: bonds (distance) C4'-P energy: -171.278 bonds (distance) P-C4' energy: -179.987 flat angles C4'-P-C4' energy: -181.521 flat angles P-C4'-P energy: -132.943 tors. eta vs tors. theta energy: -252.659 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: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2900.719846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.719846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.719846 (E_RNA) where: Base-Base interactions energy: -2003.447 where: short stacking energy: -842.289 Base-Backbone interact. energy: -0.974 local terms energy: -896.299740 where: bonds (distance) C4'-P energy: -162.845 bonds (distance) P-C4' energy: -175.992 flat angles C4'-P-C4' energy: -194.729 flat angles P-C4'-P energy: -112.814 tors. eta vs tors. theta energy: -249.919 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: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2711.063470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.063470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.063470 (E_RNA) where: Base-Base interactions energy: -1837.200 where: short stacking energy: -800.427 Base-Backbone interact. energy: -3.320 local terms energy: -870.543362 where: bonds (distance) C4'-P energy: -168.672 bonds (distance) P-C4' energy: -166.378 flat angles C4'-P-C4' energy: -188.218 flat angles P-C4'-P energy: -113.181 tors. eta vs tors. theta energy: -234.095 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: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2625.014293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.014293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.014293 (E_RNA) where: Base-Base interactions energy: -1802.453 where: short stacking energy: -788.794 Base-Backbone interact. energy: 3.661 local terms energy: -826.222811 where: bonds (distance) C4'-P energy: -152.028 bonds (distance) P-C4' energy: -155.992 flat angles C4'-P-C4' energy: -179.353 flat angles P-C4'-P energy: -129.947 tors. eta vs tors. theta energy: -208.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2435.639258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.639258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.639258 (E_RNA) where: Base-Base interactions energy: -1679.266 where: short stacking energy: -726.147 Base-Backbone interact. energy: 1.294 local terms energy: -757.667466 where: bonds (distance) C4'-P energy: -162.052 bonds (distance) P-C4' energy: -143.368 flat angles C4'-P-C4' energy: -148.917 flat angles P-C4'-P energy: -96.830 tors. eta vs tors. theta energy: -206.501 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: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2308.445654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.445654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.445654 (E_RNA) where: Base-Base interactions energy: -1539.860 where: short stacking energy: -677.291 Base-Backbone interact. energy: -0.162 local terms energy: -768.423783 where: bonds (distance) C4'-P energy: -142.467 bonds (distance) P-C4' energy: -149.454 flat angles C4'-P-C4' energy: -176.225 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -196.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2247.721908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.721908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.721908 (E_RNA) where: Base-Base interactions energy: -1541.536 where: short stacking energy: -682.867 Base-Backbone interact. energy: 0.022 local terms energy: -706.207345 where: bonds (distance) C4'-P energy: -133.444 bonds (distance) P-C4' energy: -127.262 flat angles C4'-P-C4' energy: -166.067 flat angles P-C4'-P energy: -96.886 tors. eta vs tors. theta energy: -182.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1982.406774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.406774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.406774 (E_RNA) where: Base-Base interactions energy: -1291.671 where: short stacking energy: -574.290 Base-Backbone interact. energy: -2.756 local terms energy: -687.979784 where: bonds (distance) C4'-P energy: -138.446 bonds (distance) P-C4' energy: -150.664 flat angles C4'-P-C4' energy: -162.785 flat angles P-C4'-P energy: -98.583 tors. eta vs tors. theta energy: -137.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1247.963232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.963232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.963232 (E_RNA) where: Base-Base interactions energy: -739.160 where: short stacking energy: -354.500 Base-Backbone interact. energy: -3.489 local terms energy: -505.314927 where: bonds (distance) C4'-P energy: -125.511 bonds (distance) P-C4' energy: -143.363 flat angles C4'-P-C4' energy: -120.460 flat angles P-C4'-P energy: -71.413 tors. eta vs tors. theta energy: -44.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1208.746214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.746214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.746214 (E_RNA) where: Base-Base interactions energy: -732.033 where: short stacking energy: -348.054 Base-Backbone interact. energy: 0.888 local terms energy: -477.600844 where: bonds (distance) C4'-P energy: -125.203 bonds (distance) P-C4' energy: -121.401 flat angles C4'-P-C4' energy: -142.781 flat angles P-C4'-P energy: -66.964 tors. eta vs tors. theta energy: -21.252 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: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2985.418584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.418584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.418584 (E_RNA) where: Base-Base interactions energy: -2100.116 where: short stacking energy: -912.419 Base-Backbone interact. energy: -3.486 local terms energy: -881.817329 where: bonds (distance) C4'-P energy: -159.043 bonds (distance) P-C4' energy: -167.537 flat angles C4'-P-C4' energy: -187.621 flat angles P-C4'-P energy: -122.018 tors. eta vs tors. theta energy: -245.598 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: 2, replica: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2906.971252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.971252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.971252 (E_RNA) where: Base-Base interactions energy: -2025.232 where: short stacking energy: -849.446 Base-Backbone interact. energy: -6.732 local terms energy: -875.007755 where: bonds (distance) C4'-P energy: -166.799 bonds (distance) P-C4' energy: -162.457 flat angles C4'-P-C4' energy: -185.044 flat angles P-C4'-P energy: -118.403 tors. eta vs tors. theta energy: -242.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2731.049599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.049599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.049599 (E_RNA) where: Base-Base interactions energy: -1883.642 where: short stacking energy: -815.081 Base-Backbone interact. energy: -1.592 local terms energy: -845.815583 where: bonds (distance) C4'-P energy: -153.357 bonds (distance) P-C4' energy: -167.287 flat angles C4'-P-C4' energy: -188.148 flat angles P-C4'-P energy: -114.913 tors. eta vs tors. theta energy: -222.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2618.639668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.639668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.639668 (E_RNA) where: Base-Base interactions energy: -1801.262 where: short stacking energy: -778.933 Base-Backbone interact. energy: 0.135 local terms energy: -817.513029 where: bonds (distance) C4'-P energy: -138.914 bonds (distance) P-C4' energy: -160.425 flat angles C4'-P-C4' energy: -181.795 flat angles P-C4'-P energy: -117.745 tors. eta vs tors. theta energy: -218.634 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: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2419.724428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.724428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.724428 (E_RNA) where: Base-Base interactions energy: -1655.520 where: short stacking energy: -738.297 Base-Backbone interact. energy: 1.182 local terms energy: -765.387083 where: bonds (distance) C4'-P energy: -138.824 bonds (distance) P-C4' energy: -146.556 flat angles C4'-P-C4' energy: -179.975 flat angles P-C4'-P energy: -118.166 tors. eta vs tors. theta energy: -181.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2290.523954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.523954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.523954 (E_RNA) where: Base-Base interactions energy: -1538.118 where: short stacking energy: -688.140 Base-Backbone interact. energy: -1.870 local terms energy: -750.535746 where: bonds (distance) C4'-P energy: -137.480 bonds (distance) P-C4' energy: -160.660 flat angles C4'-P-C4' energy: -166.505 flat angles P-C4'-P energy: -99.977 tors. eta vs tors. theta energy: -185.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2215.394100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.394100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.394100 (E_RNA) where: Base-Base interactions energy: -1491.730 where: short stacking energy: -639.804 Base-Backbone interact. energy: 0.908 local terms energy: -724.572839 where: bonds (distance) C4'-P energy: -144.451 bonds (distance) P-C4' energy: -151.527 flat angles C4'-P-C4' energy: -161.647 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -173.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1854.648025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.648025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.648025 (E_RNA) where: Base-Base interactions energy: -1258.488 where: short stacking energy: -503.089 Base-Backbone interact. energy: -3.111 local terms energy: -593.048234 where: bonds (distance) C4'-P energy: -114.545 bonds (distance) P-C4' energy: -155.803 flat angles C4'-P-C4' energy: -138.749 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -108.787 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: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1258.793457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.793457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.793457 (E_RNA) where: Base-Base interactions energy: -727.344 where: short stacking energy: -366.360 Base-Backbone interact. energy: 2.330 local terms energy: -533.779419 where: bonds (distance) C4'-P energy: -135.753 bonds (distance) P-C4' energy: -155.533 flat angles C4'-P-C4' energy: -106.527 flat angles P-C4'-P energy: -80.854 tors. eta vs tors. theta energy: -55.112 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: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1207.103043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.103043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.103043 (E_RNA) where: Base-Base interactions energy: -708.511 where: short stacking energy: -370.571 Base-Backbone interact. energy: 0.759 local terms energy: -499.350961 where: bonds (distance) C4'-P energy: -141.301 bonds (distance) P-C4' energy: -122.575 flat angles C4'-P-C4' energy: -126.065 flat angles P-C4'-P energy: -73.224 tors. eta vs tors. theta energy: -36.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2957.210621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.210621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.210621 (E_RNA) where: Base-Base interactions energy: -2070.615 where: short stacking energy: -861.293 Base-Backbone interact. energy: -0.670 local terms energy: -885.925342 where: bonds (distance) C4'-P energy: -152.699 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -195.980 flat angles P-C4'-P energy: -139.848 tors. eta vs tors. theta energy: -239.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2891.380063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.380063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.380063 (E_RNA) where: Base-Base interactions energy: -2024.050 where: short stacking energy: -847.036 Base-Backbone interact. energy: -4.594 local terms energy: -862.736708 where: bonds (distance) C4'-P energy: -150.280 bonds (distance) P-C4' energy: -163.036 flat angles C4'-P-C4' energy: -191.463 flat angles P-C4'-P energy: -126.056 tors. eta vs tors. theta energy: -231.903 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: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2726.694853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.694853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.694853 (E_RNA) where: Base-Base interactions energy: -1873.437 where: short stacking energy: -790.286 Base-Backbone interact. energy: -6.657 local terms energy: -846.600657 where: bonds (distance) C4'-P energy: -174.917 bonds (distance) P-C4' energy: -164.679 flat angles C4'-P-C4' energy: -181.151 flat angles P-C4'-P energy: -108.286 tors. eta vs tors. theta energy: -217.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2604.386628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.386628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.386628 (E_RNA) where: Base-Base interactions energy: -1799.849 where: short stacking energy: -798.162 Base-Backbone interact. energy: -3.934 local terms energy: -800.602999 where: bonds (distance) C4'-P energy: -134.810 bonds (distance) P-C4' energy: -159.170 flat angles C4'-P-C4' energy: -179.657 flat angles P-C4'-P energy: -114.009 tors. eta vs tors. theta energy: -212.958 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: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2435.289248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.289248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.289248 (E_RNA) where: Base-Base interactions energy: -1691.266 where: short stacking energy: -740.620 Base-Backbone interact. energy: -3.442 local terms energy: -740.581266 where: bonds (distance) C4'-P energy: -133.732 bonds (distance) P-C4' energy: -141.113 flat angles C4'-P-C4' energy: -164.366 flat angles P-C4'-P energy: -114.607 tors. eta vs tors. theta energy: -186.763 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: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2303.333133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.333133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.333133 (E_RNA) where: Base-Base interactions energy: -1605.230 where: short stacking energy: -680.124 Base-Backbone interact. energy: -2.810 local terms energy: -695.292428 where: bonds (distance) C4'-P energy: -135.364 bonds (distance) P-C4' energy: -154.876 flat angles C4'-P-C4' energy: -157.889 flat angles P-C4'-P energy: -91.242 tors. eta vs tors. theta energy: -155.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2165.802705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.802705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.802705 (E_RNA) where: Base-Base interactions energy: -1455.289 where: short stacking energy: -626.154 Base-Backbone interact. energy: 0.132 local terms energy: -710.645525 where: bonds (distance) C4'-P energy: -150.235 bonds (distance) P-C4' energy: -141.982 flat angles C4'-P-C4' energy: -142.610 flat angles P-C4'-P energy: -106.111 tors. eta vs tors. theta energy: -169.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1956.867257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.867257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.867257 (E_RNA) where: Base-Base interactions energy: -1314.058 where: short stacking energy: -559.193 Base-Backbone interact. energy: 1.288 local terms energy: -644.097934 where: bonds (distance) C4'-P energy: -144.743 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -144.438 flat angles P-C4'-P energy: -77.189 tors. eta vs tors. theta energy: -131.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1260.971544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.971544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.971544 (E_RNA) where: Base-Base interactions energy: -761.593 where: short stacking energy: -361.666 Base-Backbone interact. energy: -1.381 local terms energy: -497.997356 where: bonds (distance) C4'-P energy: -121.019 bonds (distance) P-C4' energy: -136.333 flat angles C4'-P-C4' energy: -143.357 flat angles P-C4'-P energy: -64.305 tors. eta vs tors. theta energy: -32.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1244.072205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.072205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.072205 (E_RNA) where: Base-Base interactions energy: -750.332 where: short stacking energy: -381.422 Base-Backbone interact. energy: -1.758 local terms energy: -491.981930 where: bonds (distance) C4'-P energy: -141.703 bonds (distance) P-C4' energy: -115.029 flat angles C4'-P-C4' energy: -129.106 flat angles P-C4'-P energy: -72.947 tors. eta vs tors. theta energy: -33.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2995.377464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.377464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.377464 (E_RNA) where: Base-Base interactions energy: -2050.348 where: short stacking energy: -880.608 Base-Backbone interact. energy: -4.226 local terms energy: -940.802951 where: bonds (distance) C4'-P energy: -173.885 bonds (distance) P-C4' energy: -190.903 flat angles C4'-P-C4' energy: -182.627 flat angles P-C4'-P energy: -135.703 tors. eta vs tors. theta energy: -257.684 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: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2907.839819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.839819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.839819 (E_RNA) where: Base-Base interactions energy: -2041.463 where: short stacking energy: -880.497 Base-Backbone interact. energy: -2.965 local terms energy: -863.411454 where: bonds (distance) C4'-P energy: -170.102 bonds (distance) P-C4' energy: -156.938 flat angles C4'-P-C4' energy: -180.053 flat angles P-C4'-P energy: -115.205 tors. eta vs tors. theta energy: -241.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2739.137399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.137399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.137399 (E_RNA) where: Base-Base interactions energy: -1878.385 where: short stacking energy: -829.161 Base-Backbone interact. energy: 0.008 local terms energy: -860.760432 where: bonds (distance) C4'-P energy: -149.906 bonds (distance) P-C4' energy: -163.820 flat angles C4'-P-C4' energy: -188.440 flat angles P-C4'-P energy: -118.512 tors. eta vs tors. theta energy: -240.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2621.363894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.363894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.363894 (E_RNA) where: Base-Base interactions energy: -1824.965 where: short stacking energy: -748.675 Base-Backbone interact. energy: -2.970 local terms energy: -793.429082 where: bonds (distance) C4'-P energy: -151.552 bonds (distance) P-C4' energy: -163.098 flat angles C4'-P-C4' energy: -175.131 flat angles P-C4'-P energy: -111.368 tors. eta vs tors. theta energy: -192.280 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: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2412.845681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.845681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.845681 (E_RNA) where: Base-Base interactions energy: -1678.946 where: short stacking energy: -734.939 Base-Backbone interact. energy: -3.407 local terms energy: -730.492871 where: bonds (distance) C4'-P energy: -149.171 bonds (distance) P-C4' energy: -129.264 flat angles C4'-P-C4' energy: -163.466 flat angles P-C4'-P energy: -93.054 tors. eta vs tors. theta energy: -195.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2366.507013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.507013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.507013 (E_RNA) where: Base-Base interactions energy: -1641.395 where: short stacking energy: -715.257 Base-Backbone interact. energy: 0.799 local terms energy: -725.911891 where: bonds (distance) C4'-P energy: -124.445 bonds (distance) P-C4' energy: -132.711 flat angles C4'-P-C4' energy: -154.393 flat angles P-C4'-P energy: -116.695 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: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2219.328437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.328437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.328437 (E_RNA) where: Base-Base interactions energy: -1513.711 where: short stacking energy: -661.426 Base-Backbone interact. energy: -2.172 local terms energy: -703.445512 where: bonds (distance) C4'-P energy: -124.904 bonds (distance) P-C4' energy: -145.046 flat angles C4'-P-C4' energy: -157.048 flat angles P-C4'-P energy: -115.471 tors. eta vs tors. theta energy: -160.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1948.624231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.624231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.624231 (E_RNA) where: Base-Base interactions energy: -1303.269 where: short stacking energy: -557.815 Base-Backbone interact. energy: -0.813 local terms energy: -644.542428 where: bonds (distance) C4'-P energy: -141.481 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -153.689 flat angles P-C4'-P energy: -95.078 tors. eta vs tors. theta energy: -108.111 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: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1297.928566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.928566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.928566 (E_RNA) where: Base-Base interactions energy: -769.686 where: short stacking energy: -408.798 Base-Backbone interact. energy: 0.933 local terms energy: -529.175362 where: bonds (distance) C4'-P energy: -122.708 bonds (distance) P-C4' energy: -142.231 flat angles C4'-P-C4' energy: -118.189 flat angles P-C4'-P energy: -88.853 tors. eta vs tors. theta energy: -57.194 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1189.283250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.283250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.283250 (E_RNA) where: Base-Base interactions energy: -722.319 where: short stacking energy: -339.366 Base-Backbone interact. energy: -4.405 local terms energy: -462.559274 where: bonds (distance) C4'-P energy: -147.521 bonds (distance) P-C4' energy: -116.699 flat angles C4'-P-C4' energy: -132.937 flat angles P-C4'-P energy: -45.754 tors. eta vs tors. theta energy: -19.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2972.132295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.132295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.132295 (E_RNA) where: Base-Base interactions energy: -2089.616 where: short stacking energy: -882.386 Base-Backbone interact. energy: -2.371 local terms energy: -880.144486 where: bonds (distance) C4'-P energy: -165.588 bonds (distance) P-C4' energy: -169.746 flat angles C4'-P-C4' energy: -188.730 flat angles P-C4'-P energy: -117.906 tors. eta vs tors. theta energy: -238.174 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: 304 Temperature: 0.950000 Total energy: -2920.984693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.984693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.984693 (E_RNA) where: Base-Base interactions energy: -2030.118 where: short stacking energy: -883.123 Base-Backbone interact. energy: -2.148 local terms energy: -888.718661 where: bonds (distance) C4'-P energy: -164.268 bonds (distance) P-C4' energy: -169.437 flat angles C4'-P-C4' energy: -186.923 flat angles P-C4'-P energy: -124.415 tors. eta vs tors. theta energy: -243.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2744.083883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.083883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.083883 (E_RNA) where: Base-Base interactions energy: -1922.171 where: short stacking energy: -856.891 Base-Backbone interact. energy: -0.603 local terms energy: -821.310479 where: bonds (distance) C4'-P energy: -143.620 bonds (distance) P-C4' energy: -158.046 flat angles C4'-P-C4' energy: -177.595 flat angles P-C4'-P energy: -109.986 tors. eta vs tors. theta energy: -232.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2626.982719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.982719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.982719 (E_RNA) where: Base-Base interactions energy: -1798.989 where: short stacking energy: -779.873 Base-Backbone interact. energy: -4.600 local terms energy: -823.394278 where: bonds (distance) C4'-P energy: -151.395 bonds (distance) P-C4' energy: -154.418 flat angles C4'-P-C4' energy: -183.567 flat angles P-C4'-P energy: -128.284 tors. eta vs tors. theta energy: -205.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2405.187682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.187682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.187682 (E_RNA) where: Base-Base interactions energy: -1619.072 where: short stacking energy: -711.315 Base-Backbone interact. energy: 1.775 local terms energy: -787.891342 where: bonds (distance) C4'-P energy: -156.951 bonds (distance) P-C4' energy: -168.475 flat angles C4'-P-C4' energy: -163.003 flat angles P-C4'-P energy: -107.664 tors. eta vs tors. theta energy: -191.798 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: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2333.604637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.604637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.604637 (E_RNA) where: Base-Base interactions energy: -1589.589 where: short stacking energy: -679.024 Base-Backbone interact. energy: 4.819 local terms energy: -748.834522 where: bonds (distance) C4'-P energy: -154.363 bonds (distance) P-C4' energy: -153.152 flat angles C4'-P-C4' energy: -160.478 flat angles P-C4'-P energy: -96.649 tors. eta vs tors. theta energy: -184.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2183.565801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.565801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.565801 (E_RNA) where: Base-Base interactions energy: -1510.303 where: short stacking energy: -664.712 Base-Backbone interact. energy: 3.134 local terms energy: -676.397357 where: bonds (distance) C4'-P energy: -133.076 bonds (distance) P-C4' energy: -130.273 flat angles C4'-P-C4' energy: -151.388 flat angles P-C4'-P energy: -111.288 tors. eta vs tors. theta energy: -150.372 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: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1865.560568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.560568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.560568 (E_RNA) where: Base-Base interactions energy: -1278.325 where: short stacking energy: -557.330 Base-Backbone interact. energy: -4.414 local terms energy: -582.821753 where: bonds (distance) C4'-P energy: -113.719 bonds (distance) P-C4' energy: -121.668 flat angles C4'-P-C4' energy: -153.453 flat angles P-C4'-P energy: -78.155 tors. eta vs tors. theta energy: -115.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1352.911192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.911192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.911192 (E_RNA) where: Base-Base interactions energy: -836.580 where: short stacking energy: -412.155 Base-Backbone interact. energy: -1.579 local terms energy: -514.752213 where: bonds (distance) C4'-P energy: -124.632 bonds (distance) P-C4' energy: -142.528 flat angles C4'-P-C4' energy: -117.962 flat angles P-C4'-P energy: -78.585 tors. eta vs tors. theta energy: -51.045 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: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1202.300784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.300784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.300784 (E_RNA) where: Base-Base interactions energy: -717.084 where: short stacking energy: -332.100 Base-Backbone interact. energy: -0.869 local terms energy: -484.347951 where: bonds (distance) C4'-P energy: -136.144 bonds (distance) P-C4' energy: -140.177 flat angles C4'-P-C4' energy: -111.019 flat angles P-C4'-P energy: -79.625 tors. eta vs tors. theta energy: -17.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2959.468052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.468052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.468052 (E_RNA) where: Base-Base interactions energy: -2065.120 where: short stacking energy: -893.033 Base-Backbone interact. energy: -3.171 local terms energy: -891.177146 where: bonds (distance) C4'-P energy: -150.830 bonds (distance) P-C4' energy: -160.329 flat angles C4'-P-C4' energy: -195.756 flat angles P-C4'-P energy: -125.795 tors. eta vs tors. theta energy: -258.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2946.581471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.581471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.581471 (E_RNA) where: Base-Base interactions energy: -2061.569 where: short stacking energy: -879.216 Base-Backbone interact. energy: -0.808 local terms energy: -884.204451 where: bonds (distance) C4'-P energy: -152.770 bonds (distance) P-C4' energy: -166.414 flat angles C4'-P-C4' energy: -187.828 flat angles P-C4'-P energy: -134.129 tors. eta vs tors. theta energy: -243.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2754.636778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.636778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.636778 (E_RNA) where: Base-Base interactions energy: -1926.921 where: short stacking energy: -831.096 Base-Backbone interact. energy: -0.398 local terms energy: -827.317605 where: bonds (distance) C4'-P energy: -164.465 bonds (distance) P-C4' energy: -152.933 flat angles C4'-P-C4' energy: -188.641 flat angles P-C4'-P energy: -93.985 tors. eta vs tors. theta energy: -227.295 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: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2538.430165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.430165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.430165 (E_RNA) where: Base-Base interactions energy: -1747.921 where: short stacking energy: -744.773 Base-Backbone interact. energy: -0.064 local terms energy: -790.444506 where: bonds (distance) C4'-P energy: -163.528 bonds (distance) P-C4' energy: -151.997 flat angles C4'-P-C4' energy: -172.113 flat angles P-C4'-P energy: -110.523 tors. eta vs tors. theta energy: -192.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2430.135756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.135756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.135756 (E_RNA) where: Base-Base interactions energy: -1670.336 where: short stacking energy: -742.263 Base-Backbone interact. energy: 2.457 local terms energy: -762.256373 where: bonds (distance) C4'-P energy: -120.645 bonds (distance) P-C4' energy: -152.446 flat angles C4'-P-C4' energy: -167.848 flat angles P-C4'-P energy: -120.022 tors. eta vs tors. theta energy: -201.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2339.224293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.224293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.224293 (E_RNA) where: Base-Base interactions energy: -1607.583 where: short stacking energy: -714.879 Base-Backbone interact. energy: -0.488 local terms energy: -731.153107 where: bonds (distance) C4'-P energy: -132.081 bonds (distance) P-C4' energy: -142.354 flat angles C4'-P-C4' energy: -168.956 flat angles P-C4'-P energy: -113.039 tors. eta vs tors. theta energy: -174.722 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: 305 Temperature: 1.200000 Total energy: -2115.262827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.262827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.262827 (E_RNA) where: Base-Base interactions energy: -1432.607 where: short stacking energy: -625.734 Base-Backbone interact. energy: -3.437 local terms energy: -679.219231 where: bonds (distance) C4'-P energy: -130.043 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -150.570 flat angles P-C4'-P energy: -102.217 tors. eta vs tors. theta energy: -143.992 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1900.676214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.676214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.676214 (E_RNA) where: Base-Base interactions energy: -1281.987 where: short stacking energy: -520.882 Base-Backbone interact. energy: -4.050 local terms energy: -614.639715 where: bonds (distance) C4'-P energy: -136.635 bonds (distance) P-C4' energy: -131.726 flat angles C4'-P-C4' energy: -151.281 flat angles P-C4'-P energy: -81.038 tors. eta vs tors. theta energy: -113.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1359.466315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.466315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.466315 (E_RNA) where: Base-Base interactions energy: -826.847 where: short stacking energy: -371.591 Base-Backbone interact. energy: 5.560 local terms energy: -538.178631 where: bonds (distance) C4'-P energy: -146.331 bonds (distance) P-C4' energy: -121.977 flat angles C4'-P-C4' energy: -146.513 flat angles P-C4'-P energy: -65.696 tors. eta vs tors. theta energy: -57.661 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: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1175.040166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.040166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.040166 (E_RNA) where: Base-Base interactions energy: -707.330 where: short stacking energy: -345.551 Base-Backbone interact. energy: 7.292 local terms energy: -475.002444 where: bonds (distance) C4'-P energy: -127.604 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -119.468 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: -29.985 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: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2962.653581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.653581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.653581 (E_RNA) where: Base-Base interactions energy: -2069.871 where: short stacking energy: -881.468 Base-Backbone interact. energy: -2.415 local terms energy: -890.367662 where: bonds (distance) C4'-P energy: -168.270 bonds (distance) P-C4' energy: -157.284 flat angles C4'-P-C4' energy: -195.937 flat angles P-C4'-P energy: -126.130 tors. eta vs tors. theta energy: -242.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2957.778685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.778685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.778685 (E_RNA) where: Base-Base interactions energy: -2052.932 where: short stacking energy: -900.677 Base-Backbone interact. energy: -2.460 local terms energy: -902.386582 where: bonds (distance) C4'-P energy: -162.589 bonds (distance) P-C4' energy: -161.045 flat angles C4'-P-C4' energy: -199.760 flat angles P-C4'-P energy: -127.182 tors. eta vs tors. theta energy: -251.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2778.594675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.594675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.594675 (E_RNA) where: Base-Base interactions energy: -1943.608 where: short stacking energy: -815.756 Base-Backbone interact. energy: -3.035 local terms energy: -831.951563 where: bonds (distance) C4'-P energy: -151.449 bonds (distance) P-C4' energy: -160.448 flat angles C4'-P-C4' energy: -171.857 flat angles P-C4'-P energy: -116.666 tors. eta vs tors. theta energy: -231.532 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: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2587.499634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.499634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.499634 (E_RNA) where: Base-Base interactions energy: -1807.736 where: short stacking energy: -768.339 Base-Backbone interact. energy: -1.886 local terms energy: -777.877387 where: bonds (distance) C4'-P energy: -143.761 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -172.445 flat angles P-C4'-P energy: -112.411 tors. eta vs tors. theta energy: -200.977 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: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2417.155731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.155731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.155731 (E_RNA) where: Base-Base interactions energy: -1657.579 where: short stacking energy: -737.623 Base-Backbone interact. energy: 5.040 local terms energy: -764.617139 where: bonds (distance) C4'-P energy: -139.756 bonds (distance) P-C4' energy: -146.137 flat angles C4'-P-C4' energy: -177.732 flat angles P-C4'-P energy: -98.935 tors. eta vs tors. theta energy: -202.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2370.278702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.278702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.278702 (E_RNA) where: Base-Base interactions energy: -1634.735 where: short stacking energy: -713.310 Base-Backbone interact. energy: -1.727 local terms energy: -733.816904 where: bonds (distance) C4'-P energy: -130.519 bonds (distance) P-C4' energy: -150.593 flat angles C4'-P-C4' energy: -172.561 flat angles P-C4'-P energy: -100.256 tors. eta vs tors. theta energy: -179.887 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: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2187.894761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.894761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.894761 (E_RNA) where: Base-Base interactions energy: -1457.808 where: short stacking energy: -631.811 Base-Backbone interact. energy: -0.929 local terms energy: -729.157081 where: bonds (distance) C4'-P energy: -155.005 bonds (distance) P-C4' energy: -145.862 flat angles C4'-P-C4' energy: -166.506 flat angles P-C4'-P energy: -103.841 tors. eta vs tors. theta energy: -157.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1918.653123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.653123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.653123 (E_RNA) where: Base-Base interactions energy: -1318.990 where: short stacking energy: -553.858 Base-Backbone interact. energy: -2.102 local terms energy: -597.561176 where: bonds (distance) C4'-P energy: -111.794 bonds (distance) P-C4' energy: -130.271 flat angles C4'-P-C4' energy: -143.823 flat angles P-C4'-P energy: -91.104 tors. eta vs tors. theta energy: -120.570 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: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1345.247881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.247881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.247881 (E_RNA) where: Base-Base interactions energy: -840.866 where: short stacking energy: -396.731 Base-Backbone interact. energy: -1.147 local terms energy: -503.234812 where: bonds (distance) C4'-P energy: -128.554 bonds (distance) P-C4' energy: -144.118 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -56.776 tors. eta vs tors. theta energy: -51.737 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: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1160.501450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.501450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.501450 (E_RNA) where: Base-Base interactions energy: -673.096 where: short stacking energy: -326.285 Base-Backbone interact. energy: -2.114 local terms energy: -485.291232 where: bonds (distance) C4'-P energy: -129.386 bonds (distance) P-C4' energy: -132.296 flat angles C4'-P-C4' energy: -111.966 flat angles P-C4'-P energy: -89.091 tors. eta vs tors. theta energy: -22.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2974.635400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.635400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.635400 (E_RNA) where: Base-Base interactions energy: -2068.604 where: short stacking energy: -879.020 Base-Backbone interact. energy: -4.423 local terms energy: -901.608031 where: bonds (distance) C4'-P energy: -162.852 bonds (distance) P-C4' energy: -169.022 flat angles C4'-P-C4' energy: -195.414 flat angles P-C4'-P energy: -128.600 tors. eta vs tors. theta energy: -245.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2943.615669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.615669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.615669 (E_RNA) where: Base-Base interactions energy: -2086.008 where: short stacking energy: -850.265 Base-Backbone interact. energy: -5.440 local terms energy: -852.167898 where: bonds (distance) C4'-P energy: -154.061 bonds (distance) P-C4' energy: -162.747 flat angles C4'-P-C4' energy: -188.902 flat angles P-C4'-P energy: -116.521 tors. eta vs tors. theta energy: -229.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2788.024058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.024058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.024058 (E_RNA) where: Base-Base interactions energy: -1956.381 where: short stacking energy: -844.532 Base-Backbone interact. energy: -0.115 local terms energy: -831.528477 where: bonds (distance) C4'-P energy: -160.258 bonds (distance) P-C4' energy: -155.575 flat angles C4'-P-C4' energy: -171.358 flat angles P-C4'-P energy: -114.859 tors. eta vs tors. theta energy: -229.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2584.598741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.598741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.598741 (E_RNA) where: Base-Base interactions energy: -1778.004 where: short stacking energy: -727.952 Base-Backbone interact. energy: -0.940 local terms energy: -805.654846 where: bonds (distance) C4'-P energy: -155.518 bonds (distance) P-C4' energy: -157.304 flat angles C4'-P-C4' energy: -186.776 flat angles P-C4'-P energy: -120.488 tors. eta vs tors. theta energy: -185.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2426.309812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.309812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.309812 (E_RNA) where: Base-Base interactions energy: -1662.564 where: short stacking energy: -736.525 Base-Backbone interact. energy: 2.263 local terms energy: -766.008705 where: bonds (distance) C4'-P energy: -128.291 bonds (distance) P-C4' energy: -159.254 flat angles C4'-P-C4' energy: -182.955 flat angles P-C4'-P energy: -102.418 tors. eta vs tors. theta energy: -193.090 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: 6, replica: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2341.558399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.558399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.558399 (E_RNA) where: Base-Base interactions energy: -1602.981 where: short stacking energy: -691.694 Base-Backbone interact. energy: -0.445 local terms energy: -738.131797 where: bonds (distance) C4'-P energy: -144.377 bonds (distance) P-C4' energy: -151.618 flat angles C4'-P-C4' energy: -151.685 flat angles P-C4'-P energy: -108.288 tors. eta vs tors. theta energy: -182.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2263.280279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.280279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.280279 (E_RNA) where: Base-Base interactions energy: -1548.464 where: short stacking energy: -669.769 Base-Backbone interact. energy: -1.189 local terms energy: -713.627134 where: bonds (distance) C4'-P energy: -140.383 bonds (distance) P-C4' energy: -148.728 flat angles C4'-P-C4' energy: -153.706 flat angles P-C4'-P energy: -95.643 tors. eta vs tors. theta energy: -175.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1926.085039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.085039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.085039 (E_RNA) where: Base-Base interactions energy: -1284.419 where: short stacking energy: -553.343 Base-Backbone interact. energy: -2.569 local terms energy: -639.097329 where: bonds (distance) C4'-P energy: -119.054 bonds (distance) P-C4' energy: -143.971 flat angles C4'-P-C4' energy: -162.111 flat angles P-C4'-P energy: -89.473 tors. eta vs tors. theta energy: -124.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1366.282357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.282357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.282357 (E_RNA) where: Base-Base interactions energy: -843.295 where: short stacking energy: -426.275 Base-Backbone interact. energy: -0.766 local terms energy: -522.221347 where: bonds (distance) C4'-P energy: -127.742 bonds (distance) P-C4' energy: -131.815 flat angles C4'-P-C4' energy: -118.337 flat angles P-C4'-P energy: -85.775 tors. eta vs tors. theta energy: -58.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1160.817920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.817920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.817920 (E_RNA) where: Base-Base interactions energy: -661.231 where: short stacking energy: -344.009 Base-Backbone interact. energy: 1.604 local terms energy: -501.191040 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -128.993 flat angles C4'-P-C4' energy: -147.077 flat angles P-C4'-P energy: -71.754 tors. eta vs tors. theta energy: -25.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2990.368553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.368553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.368553 (E_RNA) where: Base-Base interactions energy: -2077.800 where: short stacking energy: -901.014 Base-Backbone interact. energy: -4.487 local terms energy: -908.081050 where: bonds (distance) C4'-P energy: -174.203 bonds (distance) P-C4' energy: -178.564 flat angles C4'-P-C4' energy: -189.356 flat angles P-C4'-P energy: -117.590 tors. eta vs tors. theta energy: -248.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2951.843918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.843918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.843918 (E_RNA) where: Base-Base interactions energy: -2097.427 where: short stacking energy: -903.854 Base-Backbone interact. energy: -0.332 local terms energy: -854.084536 where: bonds (distance) C4'-P energy: -147.514 bonds (distance) P-C4' energy: -154.912 flat angles C4'-P-C4' energy: -181.275 flat angles P-C4'-P energy: -124.065 tors. eta vs tors. theta energy: -246.319 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: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2749.804374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.804374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.804374 (E_RNA) where: Base-Base interactions energy: -1897.341 where: short stacking energy: -839.238 Base-Backbone interact. energy: -3.709 local terms energy: -848.754579 where: bonds (distance) C4'-P energy: -152.970 bonds (distance) P-C4' energy: -163.231 flat angles C4'-P-C4' energy: -178.465 flat angles P-C4'-P energy: -120.079 tors. eta vs tors. theta energy: -234.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2619.793774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.793774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.793774 (E_RNA) where: Base-Base interactions energy: -1800.728 where: short stacking energy: -769.544 Base-Backbone interact. energy: -3.858 local terms energy: -815.207402 where: bonds (distance) C4'-P energy: -151.469 bonds (distance) P-C4' energy: -170.140 flat angles C4'-P-C4' energy: -173.954 flat angles P-C4'-P energy: -114.410 tors. eta vs tors. theta energy: -205.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2402.958449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.958449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.958449 (E_RNA) where: Base-Base interactions energy: -1603.703 where: short stacking energy: -721.122 Base-Backbone interact. energy: -2.222 local terms energy: -797.033282 where: bonds (distance) C4'-P energy: -151.627 bonds (distance) P-C4' energy: -164.221 flat angles C4'-P-C4' energy: -166.105 flat angles P-C4'-P energy: -122.296 tors. eta vs tors. theta energy: -192.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2306.662184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.662184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.662184 (E_RNA) where: Base-Base interactions energy: -1552.190 where: short stacking energy: -704.681 Base-Backbone interact. energy: -1.955 local terms energy: -752.517361 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -144.595 flat angles C4'-P-C4' energy: -169.053 flat angles P-C4'-P energy: -114.704 tors. eta vs tors. theta energy: -193.172 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: 7, replica: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2295.701073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.701073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.701073 (E_RNA) where: Base-Base interactions energy: -1567.705 where: short stacking energy: -673.398 Base-Backbone interact. energy: -0.219 local terms energy: -727.776511 where: bonds (distance) C4'-P energy: -138.875 bonds (distance) P-C4' energy: -142.217 flat angles C4'-P-C4' energy: -153.330 flat angles P-C4'-P energy: -103.758 tors. eta vs tors. theta energy: -189.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1891.071136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.071136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.071136 (E_RNA) where: Base-Base interactions energy: -1287.211 where: short stacking energy: -562.425 Base-Backbone interact. energy: 0.322 local terms energy: -604.181620 where: bonds (distance) C4'-P energy: -146.524 bonds (distance) P-C4' energy: -110.323 flat angles C4'-P-C4' energy: -139.582 flat angles P-C4'-P energy: -79.780 tors. eta vs tors. theta energy: -127.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1377.944378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.944378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.944378 (E_RNA) where: Base-Base interactions energy: -853.902 where: short stacking energy: -393.334 Base-Backbone interact. energy: 0.945 local terms energy: -524.987500 where: bonds (distance) C4'-P energy: -135.754 bonds (distance) P-C4' energy: -139.393 flat angles C4'-P-C4' energy: -127.941 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -46.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1172.143646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.143646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.143646 (E_RNA) where: Base-Base interactions energy: -682.810 where: short stacking energy: -336.598 Base-Backbone interact. energy: 1.329 local terms energy: -490.663420 where: bonds (distance) C4'-P energy: -129.155 bonds (distance) P-C4' energy: -132.451 flat angles C4'-P-C4' energy: -130.132 flat angles P-C4'-P energy: -72.365 tors. eta vs tors. theta energy: -26.560 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: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3035.997563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.997563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.997563 (E_RNA) where: Base-Base interactions energy: -2143.616 where: short stacking energy: -904.132 Base-Backbone interact. energy: -2.839 local terms energy: -889.542652 where: bonds (distance) C4'-P energy: -141.532 bonds (distance) P-C4' energy: -167.962 flat angles C4'-P-C4' energy: -195.611 flat angles P-C4'-P energy: -129.139 tors. eta vs tors. theta energy: -255.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2894.200671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.200671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.200671 (E_RNA) where: Base-Base interactions energy: -2004.597 where: short stacking energy: -825.973 Base-Backbone interact. energy: -1.660 local terms energy: -887.943942 where: bonds (distance) C4'-P energy: -172.900 bonds (distance) P-C4' energy: -165.410 flat angles C4'-P-C4' energy: -192.109 flat angles P-C4'-P energy: -123.465 tors. eta vs tors. theta energy: -234.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2768.569164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.569164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.569164 (E_RNA) where: Base-Base interactions energy: -1938.613 where: short stacking energy: -810.648 Base-Backbone interact. energy: -4.419 local terms energy: -825.536907 where: bonds (distance) C4'-P energy: -156.488 bonds (distance) P-C4' energy: -157.055 flat angles C4'-P-C4' energy: -180.962 flat angles P-C4'-P energy: -106.879 tors. eta vs tors. theta energy: -224.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2580.288204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.288204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.288204 (E_RNA) where: Base-Base interactions energy: -1793.456 where: short stacking energy: -795.232 Base-Backbone interact. energy: -2.274 local terms energy: -784.557603 where: bonds (distance) C4'-P energy: -154.460 bonds (distance) P-C4' energy: -149.345 flat angles C4'-P-C4' energy: -172.876 flat angles P-C4'-P energy: -94.797 tors. eta vs tors. theta energy: -213.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2432.001086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.001086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.001086 (E_RNA) where: Base-Base interactions energy: -1640.259 where: short stacking energy: -738.091 Base-Backbone interact. energy: 0.316 local terms energy: -792.057925 where: bonds (distance) C4'-P energy: -172.377 bonds (distance) P-C4' energy: -147.067 flat angles C4'-P-C4' energy: -172.876 flat angles P-C4'-P energy: -101.714 tors. eta vs tors. theta energy: -198.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2363.539833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.539833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.539833 (E_RNA) where: Base-Base interactions energy: -1613.727 where: short stacking energy: -700.197 Base-Backbone interact. energy: 0.973 local terms energy: -750.785240 where: bonds (distance) C4'-P energy: -143.712 bonds (distance) P-C4' energy: -145.292 flat angles C4'-P-C4' energy: -177.112 flat angles P-C4'-P energy: -100.101 tors. eta vs tors. theta energy: -184.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2177.234238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.234238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.234238 (E_RNA) where: Base-Base interactions energy: -1475.626 where: short stacking energy: -638.143 Base-Backbone interact. energy: 2.344 local terms energy: -703.952520 where: bonds (distance) C4'-P energy: -140.045 bonds (distance) P-C4' energy: -153.389 flat angles C4'-P-C4' energy: -167.552 flat angles P-C4'-P energy: -79.694 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: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1898.089498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.089498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.089498 (E_RNA) where: Base-Base interactions energy: -1286.803 where: short stacking energy: -570.469 Base-Backbone interact. energy: -2.437 local terms energy: -608.849871 where: bonds (distance) C4'-P energy: -130.100 bonds (distance) P-C4' energy: -122.919 flat angles C4'-P-C4' energy: -125.970 flat angles P-C4'-P energy: -118.412 tors. eta vs tors. theta energy: -111.448 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: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1345.643926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.643926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.643926 (E_RNA) where: Base-Base interactions energy: -814.812 where: short stacking energy: -385.844 Base-Backbone interact. energy: -2.446 local terms energy: -528.386287 where: bonds (distance) C4'-P energy: -128.441 bonds (distance) P-C4' energy: -128.380 flat angles C4'-P-C4' energy: -141.887 flat angles P-C4'-P energy: -88.749 tors. eta vs tors. theta energy: -40.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1211.426299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.426299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.426299 (E_RNA) where: Base-Base interactions energy: -728.644 where: short stacking energy: -336.762 Base-Backbone interact. energy: 0.591 local terms energy: -483.373352 where: bonds (distance) C4'-P energy: -129.349 bonds (distance) P-C4' energy: -133.347 flat angles C4'-P-C4' energy: -118.588 flat angles P-C4'-P energy: -76.360 tors. eta vs tors. theta energy: -25.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3019.036248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.036248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.036248 (E_RNA) where: Base-Base interactions energy: -2124.371 where: short stacking energy: -904.484 Base-Backbone interact. energy: -4.473 local terms energy: -890.192334 where: bonds (distance) C4'-P energy: -159.545 bonds (distance) P-C4' energy: -170.442 flat angles C4'-P-C4' energy: -184.639 flat angles P-C4'-P energy: -124.209 tors. eta vs tors. theta energy: -251.359 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: 6 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2909.377856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.377856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.377856 (E_RNA) where: Base-Base interactions energy: -2009.693 where: short stacking energy: -870.127 Base-Backbone interact. energy: -3.627 local terms energy: -896.058108 where: bonds (distance) C4'-P energy: -171.554 bonds (distance) P-C4' energy: -166.469 flat angles C4'-P-C4' energy: -185.950 flat angles P-C4'-P energy: -133.134 tors. eta vs tors. theta energy: -238.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2765.504316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.504316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.504316 (E_RNA) where: Base-Base interactions energy: -1922.406 where: short stacking energy: -802.183 Base-Backbone interact. energy: -0.019 local terms energy: -843.079260 where: bonds (distance) C4'-P energy: -165.164 bonds (distance) P-C4' energy: -156.605 flat angles C4'-P-C4' energy: -186.263 flat angles P-C4'-P energy: -114.592 tors. eta vs tors. theta energy: -220.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2550.019996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.019996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.019996 (E_RNA) where: Base-Base interactions energy: -1733.019 where: short stacking energy: -747.990 Base-Backbone interact. energy: -1.835 local terms energy: -815.165998 where: bonds (distance) C4'-P energy: -157.302 bonds (distance) P-C4' energy: -164.545 flat angles C4'-P-C4' energy: -170.070 flat angles P-C4'-P energy: -124.060 tors. eta vs tors. theta energy: -199.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2497.113340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.113340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.113340 (E_RNA) where: Base-Base interactions energy: -1719.411 where: short stacking energy: -733.274 Base-Backbone interact. energy: -3.386 local terms energy: -774.316262 where: bonds (distance) C4'-P energy: -140.269 bonds (distance) P-C4' energy: -164.281 flat angles C4'-P-C4' energy: -166.215 flat angles P-C4'-P energy: -90.227 tors. eta vs tors. theta energy: -213.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2365.445054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.445054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.445054 (E_RNA) where: Base-Base interactions energy: -1598.453 where: short stacking energy: -701.960 Base-Backbone interact. energy: -0.127 local terms energy: -766.865701 where: bonds (distance) C4'-P energy: -144.616 bonds (distance) P-C4' energy: -164.513 flat angles C4'-P-C4' energy: -178.089 flat angles P-C4'-P energy: -101.425 tors. eta vs tors. theta energy: -178.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2160.581339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.581339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.581339 (E_RNA) where: Base-Base interactions energy: -1483.788 where: short stacking energy: -653.906 Base-Backbone interact. energy: 2.663 local terms energy: -679.456325 where: bonds (distance) C4'-P energy: -142.484 bonds (distance) P-C4' energy: -138.927 flat angles C4'-P-C4' energy: -156.404 flat angles P-C4'-P energy: -82.478 tors. eta vs tors. theta energy: -159.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1923.071381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.071381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.071381 (E_RNA) where: Base-Base interactions energy: -1285.409 where: short stacking energy: -514.943 Base-Backbone interact. energy: -3.952 local terms energy: -633.710211 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -155.768 flat angles C4'-P-C4' energy: -141.839 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -112.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1401.566793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.566793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.566793 (E_RNA) where: Base-Base interactions energy: -915.343 where: short stacking energy: -434.387 Base-Backbone interact. energy: 7.672 local terms energy: -493.895563 where: bonds (distance) C4'-P energy: -118.069 bonds (distance) P-C4' energy: -123.793 flat angles C4'-P-C4' energy: -120.144 flat angles P-C4'-P energy: -71.641 tors. eta vs tors. theta energy: -60.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1156.963594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.963594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.963594 (E_RNA) where: Base-Base interactions energy: -665.399 where: short stacking energy: -318.615 Base-Backbone interact. energy: -3.920 local terms energy: -487.643913 where: bonds (distance) C4'-P energy: -128.171 bonds (distance) P-C4' energy: -147.450 flat angles C4'-P-C4' energy: -121.646 flat angles P-C4'-P energy: -75.531 tors. eta vs tors. theta energy: -14.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3038.639021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.639021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.639021 (E_RNA) where: Base-Base interactions energy: -2163.775 where: short stacking energy: -883.213 Base-Backbone interact. energy: -6.401 local terms energy: -868.463006 where: bonds (distance) C4'-P energy: -161.961 bonds (distance) P-C4' energy: -162.904 flat angles C4'-P-C4' energy: -181.324 flat angles P-C4'-P energy: -112.137 tors. eta vs tors. theta energy: -250.136 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: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2833.810223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.810223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.810223 (E_RNA) where: Base-Base interactions energy: -1988.052 where: short stacking energy: -837.442 Base-Backbone interact. energy: 1.143 local terms energy: -846.900928 where: bonds (distance) C4'-P energy: -146.463 bonds (distance) P-C4' energy: -168.224 flat angles C4'-P-C4' energy: -186.322 flat angles P-C4'-P energy: -115.543 tors. eta vs tors. theta energy: -230.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2758.359046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.359046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.359046 (E_RNA) where: Base-Base interactions energy: -1907.428 where: short stacking energy: -798.408 Base-Backbone interact. energy: -2.443 local terms energy: -848.487756 where: bonds (distance) C4'-P energy: -147.241 bonds (distance) P-C4' energy: -159.115 flat angles C4'-P-C4' energy: -179.807 flat angles P-C4'-P energy: -132.258 tors. eta vs tors. theta energy: -230.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2559.969156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.969156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.969156 (E_RNA) where: Base-Base interactions energy: -1765.179 where: short stacking energy: -772.845 Base-Backbone interact. energy: -3.144 local terms energy: -791.645862 where: bonds (distance) C4'-P energy: -144.384 bonds (distance) P-C4' energy: -133.820 flat angles C4'-P-C4' energy: -188.939 flat angles P-C4'-P energy: -106.836 tors. eta vs tors. theta energy: -217.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2458.722096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.722096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.722096 (E_RNA) where: Base-Base interactions energy: -1683.200 where: short stacking energy: -731.688 Base-Backbone interact. energy: -0.590 local terms energy: -774.932023 where: bonds (distance) C4'-P energy: -140.927 bonds (distance) P-C4' energy: -165.678 flat angles C4'-P-C4' energy: -169.192 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -198.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2368.546641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.546641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.546641 (E_RNA) where: Base-Base interactions energy: -1632.028 where: short stacking energy: -710.938 Base-Backbone interact. energy: -0.360 local terms energy: -736.158142 where: bonds (distance) C4'-P energy: -153.098 bonds (distance) P-C4' energy: -137.665 flat angles C4'-P-C4' energy: -145.493 flat angles P-C4'-P energy: -120.519 tors. eta vs tors. theta energy: -179.383 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: 311 Temperature: 1.200000 Total energy: -2176.020346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.020346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.020346 (E_RNA) where: Base-Base interactions energy: -1468.782 where: short stacking energy: -643.853 Base-Backbone interact. energy: -2.982 local terms energy: -704.255969 where: bonds (distance) C4'-P energy: -137.273 bonds (distance) P-C4' energy: -145.913 flat angles C4'-P-C4' energy: -170.337 flat angles P-C4'-P energy: -96.855 tors. eta vs tors. theta energy: -153.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1976.888205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.888205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.888205 (E_RNA) where: Base-Base interactions energy: -1337.888 where: short stacking energy: -581.891 Base-Backbone interact. energy: -0.130 local terms energy: -638.870186 where: bonds (distance) C4'-P energy: -115.847 bonds (distance) P-C4' energy: -149.211 flat angles C4'-P-C4' energy: -149.431 flat angles P-C4'-P energy: -90.932 tors. eta vs tors. theta energy: -133.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1328.494808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.494808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.494808 (E_RNA) where: Base-Base interactions energy: -834.135 where: short stacking energy: -373.058 Base-Backbone interact. energy: 3.844 local terms energy: -498.204141 where: bonds (distance) C4'-P energy: -135.893 bonds (distance) P-C4' energy: -126.058 flat angles C4'-P-C4' energy: -121.141 flat angles P-C4'-P energy: -62.335 tors. eta vs tors. theta energy: -52.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1136.542833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.542833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.542833 (E_RNA) where: Base-Base interactions energy: -651.962 where: short stacking energy: -345.354 Base-Backbone interact. energy: -0.655 local terms energy: -483.925069 where: bonds (distance) C4'-P energy: -125.837 bonds (distance) P-C4' energy: -128.212 flat angles C4'-P-C4' energy: -138.014 flat angles P-C4'-P energy: -66.426 tors. eta vs tors. theta energy: -25.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3031.550465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.550465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.550465 (E_RNA) where: Base-Base interactions energy: -2137.960 where: short stacking energy: -889.288 Base-Backbone interact. energy: -5.397 local terms energy: -888.193521 where: bonds (distance) C4'-P energy: -148.082 bonds (distance) P-C4' energy: -165.424 flat angles C4'-P-C4' energy: -192.624 flat angles P-C4'-P energy: -131.184 tors. eta vs tors. theta energy: -250.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2857.370367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.370367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.370367 (E_RNA) where: Base-Base interactions energy: -1986.316 where: short stacking energy: -807.014 Base-Backbone interact. energy: 0.058 local terms energy: -871.111933 where: bonds (distance) C4'-P energy: -161.371 bonds (distance) P-C4' energy: -177.581 flat angles C4'-P-C4' energy: -180.910 flat angles P-C4'-P energy: -138.250 tors. eta vs tors. theta energy: -212.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2795.906922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.906922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.906922 (E_RNA) where: Base-Base interactions energy: -1929.496 where: short stacking energy: -851.921 Base-Backbone interact. energy: 0.406 local terms energy: -866.816892 where: bonds (distance) C4'-P energy: -171.837 bonds (distance) P-C4' energy: -161.595 flat angles C4'-P-C4' energy: -192.129 flat angles P-C4'-P energy: -104.568 tors. eta vs tors. theta energy: -236.688 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: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2592.702310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.702310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.702310 (E_RNA) where: Base-Base interactions energy: -1766.576 where: short stacking energy: -788.083 Base-Backbone interact. energy: -4.133 local terms energy: -821.993476 where: bonds (distance) C4'-P energy: -163.180 bonds (distance) P-C4' energy: -160.955 flat angles C4'-P-C4' energy: -161.090 flat angles P-C4'-P energy: -116.415 tors. eta vs tors. theta energy: -220.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2479.577033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.577033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.577033 (E_RNA) where: Base-Base interactions energy: -1734.978 where: short stacking energy: -714.954 Base-Backbone interact. energy: -9.077 local terms energy: -735.522685 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -139.978 flat angles C4'-P-C4' energy: -158.373 flat angles P-C4'-P energy: -101.819 tors. eta vs tors. theta energy: -193.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2340.275697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.275697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.275697 (E_RNA) where: Base-Base interactions energy: -1630.345 where: short stacking energy: -697.408 Base-Backbone interact. energy: -3.830 local terms energy: -706.100478 where: bonds (distance) C4'-P energy: -140.811 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -152.550 flat angles P-C4'-P energy: -89.507 tors. eta vs tors. theta energy: -181.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2252.567338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.567338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.567338 (E_RNA) where: Base-Base interactions energy: -1547.262 where: short stacking energy: -677.663 Base-Backbone interact. energy: -3.044 local terms energy: -702.261474 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -147.878 flat angles C4'-P-C4' energy: -156.991 flat angles P-C4'-P energy: -113.500 tors. eta vs tors. theta energy: -161.652 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: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1916.432083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.432083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.432083 (E_RNA) where: Base-Base interactions energy: -1319.782 where: short stacking energy: -554.069 Base-Backbone interact. energy: 1.397 local terms energy: -598.047423 where: bonds (distance) C4'-P energy: -138.212 bonds (distance) P-C4' energy: -128.469 flat angles C4'-P-C4' energy: -131.770 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -106.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1385.556068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.556068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.556068 (E_RNA) where: Base-Base interactions energy: -855.633 where: short stacking energy: -408.013 Base-Backbone interact. energy: 9.993 local terms energy: -539.916169 where: bonds (distance) C4'-P energy: -151.101 bonds (distance) P-C4' energy: -128.907 flat angles C4'-P-C4' energy: -120.606 flat angles P-C4'-P energy: -76.576 tors. eta vs tors. theta energy: -62.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1085.296110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.296110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.296110 (E_RNA) where: Base-Base interactions energy: -631.081 where: short stacking energy: -306.468 Base-Backbone interact. energy: -2.689 local terms energy: -451.526242 where: bonds (distance) C4'-P energy: -128.222 bonds (distance) P-C4' energy: -150.632 flat angles C4'-P-C4' energy: -105.332 flat angles P-C4'-P energy: -68.865 tors. eta vs tors. theta energy: 1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3014.400839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.400839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.400839 (E_RNA) where: Base-Base interactions energy: -2122.999 where: short stacking energy: -869.062 Base-Backbone interact. energy: -4.447 local terms energy: -886.955094 where: bonds (distance) C4'-P energy: -157.085 bonds (distance) P-C4' energy: -178.354 flat angles C4'-P-C4' energy: -185.844 flat angles P-C4'-P energy: -120.510 tors. eta vs tors. theta energy: -245.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2866.844458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.844458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.844458 (E_RNA) where: Base-Base interactions energy: -2008.334 where: short stacking energy: -843.367 Base-Backbone interact. energy: -2.273 local terms energy: -856.237312 where: bonds (distance) C4'-P energy: -160.484 bonds (distance) P-C4' energy: -167.450 flat angles C4'-P-C4' energy: -182.644 flat angles P-C4'-P energy: -103.808 tors. eta vs tors. theta energy: -241.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2731.621094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.621094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.621094 (E_RNA) where: Base-Base interactions energy: -1897.459 where: short stacking energy: -825.626 Base-Backbone interact. energy: -1.765 local terms energy: -832.396301 where: bonds (distance) C4'-P energy: -162.733 bonds (distance) P-C4' energy: -162.735 flat angles C4'-P-C4' energy: -169.873 flat angles P-C4'-P energy: -107.842 tors. eta vs tors. theta energy: -229.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2602.539003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.539003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.539003 (E_RNA) where: Base-Base interactions energy: -1791.759 where: short stacking energy: -787.999 Base-Backbone interact. energy: -1.905 local terms energy: -808.874722 where: bonds (distance) C4'-P energy: -151.365 bonds (distance) P-C4' energy: -146.624 flat angles C4'-P-C4' energy: -169.077 flat angles P-C4'-P energy: -120.486 tors. eta vs tors. theta energy: -221.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2476.629697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.629697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.629697 (E_RNA) where: Base-Base interactions energy: -1713.786 where: short stacking energy: -725.693 Base-Backbone interact. energy: -4.803 local terms energy: -758.040088 where: bonds (distance) C4'-P energy: -141.731 bonds (distance) P-C4' energy: -142.707 flat angles C4'-P-C4' energy: -171.158 flat angles P-C4'-P energy: -101.361 tors. eta vs tors. theta energy: -201.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2353.530857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.530857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.530857 (E_RNA) where: Base-Base interactions energy: -1604.189 where: short stacking energy: -715.771 Base-Backbone interact. energy: -3.488 local terms energy: -745.854097 where: bonds (distance) C4'-P energy: -141.738 bonds (distance) P-C4' energy: -145.049 flat angles C4'-P-C4' energy: -149.848 flat angles P-C4'-P energy: -114.746 tors. eta vs tors. theta energy: -194.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2255.565574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.565574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.565574 (E_RNA) where: Base-Base interactions energy: -1560.109 where: short stacking energy: -663.220 Base-Backbone interact. energy: 1.079 local terms energy: -696.534999 where: bonds (distance) C4'-P energy: -155.888 bonds (distance) P-C4' energy: -136.740 flat angles C4'-P-C4' energy: -150.828 flat angles P-C4'-P energy: -81.630 tors. eta vs tors. theta energy: -171.450 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: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1940.420746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.420746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.420746 (E_RNA) where: Base-Base interactions energy: -1285.859 where: short stacking energy: -554.701 Base-Backbone interact. energy: -5.099 local terms energy: -649.462589 where: bonds (distance) C4'-P energy: -135.014 bonds (distance) P-C4' energy: -151.224 flat angles C4'-P-C4' energy: -148.923 flat angles P-C4'-P energy: -88.443 tors. eta vs tors. theta energy: -125.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1355.373178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.373178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.373178 (E_RNA) where: Base-Base interactions energy: -822.557 where: short stacking energy: -375.237 Base-Backbone interact. energy: -2.461 local terms energy: -530.355275 where: bonds (distance) C4'-P energy: -124.779 bonds (distance) P-C4' energy: -156.332 flat angles C4'-P-C4' energy: -131.299 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -52.207 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: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -975.056089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.056089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.056089 (E_RNA) where: Base-Base interactions energy: -538.002 where: short stacking energy: -290.531 Base-Backbone interact. energy: 4.267 local terms energy: -441.320803 where: bonds (distance) C4'-P energy: -139.512 bonds (distance) P-C4' energy: -123.325 flat angles C4'-P-C4' energy: -123.386 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -9.484 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: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2997.316080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.316080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.316080 (E_RNA) where: Base-Base interactions energy: -2098.185 where: short stacking energy: -863.931 Base-Backbone interact. energy: 0.481 local terms energy: -899.612571 where: bonds (distance) C4'-P energy: -165.714 bonds (distance) P-C4' energy: -180.001 flat angles C4'-P-C4' energy: -179.135 flat angles P-C4'-P energy: -124.325 tors. eta vs tors. theta energy: -250.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2886.553674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.553674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.553674 (E_RNA) where: Base-Base interactions energy: -2021.063 where: short stacking energy: -843.045 Base-Backbone interact. energy: -3.428 local terms energy: -862.061912 where: bonds (distance) C4'-P energy: -176.048 bonds (distance) P-C4' energy: -161.272 flat angles C4'-P-C4' energy: -175.689 flat angles P-C4'-P energy: -125.326 tors. eta vs tors. theta energy: -223.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2735.481570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.481570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.481570 (E_RNA) where: Base-Base interactions energy: -1888.082 where: short stacking energy: -798.884 Base-Backbone interact. energy: -4.284 local terms energy: -843.116056 where: bonds (distance) C4'-P energy: -161.302 bonds (distance) P-C4' energy: -162.110 flat angles C4'-P-C4' energy: -182.780 flat angles P-C4'-P energy: -119.881 tors. eta vs tors. theta energy: -217.043 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: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2636.741204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.741204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.741204 (E_RNA) where: Base-Base interactions energy: -1815.749 where: short stacking energy: -773.005 Base-Backbone interact. energy: -3.980 local terms energy: -817.012886 where: bonds (distance) C4'-P energy: -158.698 bonds (distance) P-C4' energy: -154.552 flat angles C4'-P-C4' energy: -175.983 flat angles P-C4'-P energy: -121.552 tors. eta vs tors. theta energy: -206.228 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: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2575.756492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.756492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.756492 (E_RNA) where: Base-Base interactions energy: -1766.194 where: short stacking energy: -784.638 Base-Backbone interact. energy: -3.575 local terms energy: -805.987567 where: bonds (distance) C4'-P energy: -151.761 bonds (distance) P-C4' energy: -156.636 flat angles C4'-P-C4' energy: -173.335 flat angles P-C4'-P energy: -100.057 tors. eta vs tors. theta energy: -224.200 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2361.692370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.692370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.692370 (E_RNA) where: Base-Base interactions energy: -1609.959 where: short stacking energy: -697.792 Base-Backbone interact. energy: 0.579 local terms energy: -752.312391 where: bonds (distance) C4'-P energy: -138.354 bonds (distance) P-C4' energy: -156.033 flat angles C4'-P-C4' energy: -172.975 flat angles P-C4'-P energy: -97.672 tors. eta vs tors. theta energy: -187.279 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: 314 Temperature: 1.200000 Total energy: -2218.387209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.387209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.387209 (E_RNA) where: Base-Base interactions energy: -1507.015 where: short stacking energy: -660.567 Base-Backbone interact. energy: -0.836 local terms energy: -710.536753 where: bonds (distance) C4'-P energy: -127.831 bonds (distance) P-C4' energy: -150.002 flat angles C4'-P-C4' energy: -158.916 flat angles P-C4'-P energy: -94.868 tors. eta vs tors. theta energy: -178.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1900.691445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.691445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.691445 (E_RNA) where: Base-Base interactions energy: -1253.609 where: short stacking energy: -545.719 Base-Backbone interact. energy: -0.639 local terms energy: -646.443295 where: bonds (distance) C4'-P energy: -129.675 bonds (distance) P-C4' energy: -164.804 flat angles C4'-P-C4' energy: -132.245 flat angles P-C4'-P energy: -92.361 tors. eta vs tors. theta energy: -127.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1392.065317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.065317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.065317 (E_RNA) where: Base-Base interactions energy: -883.163 where: short stacking energy: -422.034 Base-Backbone interact. energy: 4.585 local terms energy: -513.487325 where: bonds (distance) C4'-P energy: -121.924 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -114.942 flat angles P-C4'-P energy: -78.262 tors. eta vs tors. theta energy: -52.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -919.826120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.826120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.826120 (E_RNA) where: Base-Base interactions energy: -496.699 where: short stacking energy: -250.255 Base-Backbone interact. energy: 4.780 local terms energy: -427.907720 where: bonds (distance) C4'-P energy: -121.915 bonds (distance) P-C4' energy: -130.168 flat angles C4'-P-C4' energy: -124.739 flat angles P-C4'-P energy: -58.632 tors. eta vs tors. theta energy: 7.547 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: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3034.396227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.396227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.396227 (E_RNA) where: Base-Base interactions energy: -2143.615 where: short stacking energy: -895.021 Base-Backbone interact. energy: -2.913 local terms energy: -887.868118 where: bonds (distance) C4'-P energy: -172.283 bonds (distance) P-C4' energy: -151.288 flat angles C4'-P-C4' energy: -189.520 flat angles P-C4'-P energy: -129.206 tors. eta vs tors. theta energy: -245.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2914.978575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.978575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.978575 (E_RNA) where: Base-Base interactions energy: -2045.474 where: short stacking energy: -862.010 Base-Backbone interact. energy: -3.959 local terms energy: -865.544967 where: bonds (distance) C4'-P energy: -167.697 bonds (distance) P-C4' energy: -165.601 flat angles C4'-P-C4' energy: -181.034 flat angles P-C4'-P energy: -121.739 tors. eta vs tors. theta energy: -229.474 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: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2700.932366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.932366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.932366 (E_RNA) where: Base-Base interactions energy: -1873.793 where: short stacking energy: -830.095 Base-Backbone interact. energy: -3.357 local terms energy: -823.782797 where: bonds (distance) C4'-P energy: -152.749 bonds (distance) P-C4' energy: -162.381 flat angles C4'-P-C4' energy: -176.032 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -218.355 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: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2669.121459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.121459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.121459 (E_RNA) where: Base-Base interactions energy: -1841.744 where: short stacking energy: -796.982 Base-Backbone interact. energy: -1.663 local terms energy: -825.714162 where: bonds (distance) C4'-P energy: -162.504 bonds (distance) P-C4' energy: -153.344 flat angles C4'-P-C4' energy: -180.872 flat angles P-C4'-P energy: -114.305 tors. eta vs tors. theta energy: -214.689 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: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2494.841013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.841013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.841013 (E_RNA) where: Base-Base interactions energy: -1772.133 where: short stacking energy: -755.210 Base-Backbone interact. energy: -4.764 local terms energy: -717.944467 where: bonds (distance) C4'-P energy: -121.233 bonds (distance) P-C4' energy: -130.674 flat angles C4'-P-C4' energy: -161.359 flat angles P-C4'-P energy: -101.844 tors. eta vs tors. theta energy: -202.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2436.331008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.331008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.331008 (E_RNA) where: Base-Base interactions energy: -1653.898 where: short stacking energy: -710.043 Base-Backbone interact. energy: -2.144 local terms energy: -780.288576 where: bonds (distance) C4'-P energy: -152.237 bonds (distance) P-C4' energy: -158.050 flat angles C4'-P-C4' energy: -166.010 flat angles P-C4'-P energy: -120.237 tors. eta vs tors. theta energy: -183.754 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: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2244.489075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.489075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.489075 (E_RNA) where: Base-Base interactions energy: -1497.866 where: short stacking energy: -657.339 Base-Backbone interact. energy: -4.251 local terms energy: -742.371241 where: bonds (distance) C4'-P energy: -130.294 bonds (distance) P-C4' energy: -139.996 flat angles C4'-P-C4' energy: -187.056 flat angles P-C4'-P energy: -108.813 tors. eta vs tors. theta energy: -176.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1998.028900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.028900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.028900 (E_RNA) where: Base-Base interactions energy: -1323.023 where: short stacking energy: -580.972 Base-Backbone interact. energy: -3.896 local terms energy: -671.110062 where: bonds (distance) C4'-P energy: -130.973 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -161.356 flat angles P-C4'-P energy: -92.379 tors. eta vs tors. theta energy: -141.197 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: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1357.579324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.579324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.579324 (E_RNA) where: Base-Base interactions energy: -841.516 where: short stacking energy: -407.430 Base-Backbone interact. energy: 2.443 local terms energy: -518.506370 where: bonds (distance) C4'-P energy: -129.877 bonds (distance) P-C4' energy: -150.123 flat angles C4'-P-C4' energy: -128.181 flat angles P-C4'-P energy: -66.883 tors. eta vs tors. theta energy: -43.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -924.678296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.678296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.678296 (E_RNA) where: Base-Base interactions energy: -444.544 where: short stacking energy: -224.709 Base-Backbone interact. energy: 1.956 local terms energy: -482.090563 where: bonds (distance) C4'-P energy: -145.431 bonds (distance) P-C4' energy: -144.633 flat angles C4'-P-C4' energy: -129.208 flat angles P-C4'-P energy: -71.307 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: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3020.622467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.622467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.622467 (E_RNA) where: Base-Base interactions energy: -2126.902 where: short stacking energy: -885.016 Base-Backbone interact. energy: -2.390 local terms energy: -891.330709 where: bonds (distance) C4'-P energy: -167.856 bonds (distance) P-C4' energy: -154.978 flat angles C4'-P-C4' energy: -188.031 flat angles P-C4'-P energy: -137.760 tors. eta vs tors. theta energy: -242.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2869.983034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.983034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.983034 (E_RNA) where: Base-Base interactions energy: -2015.890 where: short stacking energy: -822.393 Base-Backbone interact. energy: -2.210 local terms energy: -851.882381 where: bonds (distance) C4'-P energy: -145.996 bonds (distance) P-C4' energy: -175.439 flat angles C4'-P-C4' energy: -186.818 flat angles P-C4'-P energy: -122.076 tors. eta vs tors. theta energy: -221.554 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: 3, replica: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2727.907605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.907605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.907605 (E_RNA) where: Base-Base interactions energy: -1896.982 where: short stacking energy: -841.604 Base-Backbone interact. energy: -1.303 local terms energy: -829.621853 where: bonds (distance) C4'-P energy: -154.604 bonds (distance) P-C4' energy: -160.877 flat angles C4'-P-C4' energy: -175.783 flat angles P-C4'-P energy: -108.302 tors. eta vs tors. theta energy: -230.055 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: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2683.768852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.768852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.768852 (E_RNA) where: Base-Base interactions energy: -1828.981 where: short stacking energy: -774.327 Base-Backbone interact. energy: -4.307 local terms energy: -850.481221 where: bonds (distance) C4'-P energy: -171.506 bonds (distance) P-C4' energy: -162.162 flat angles C4'-P-C4' energy: -178.015 flat angles P-C4'-P energy: -120.519 tors. eta vs tors. theta energy: -218.279 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: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2527.994642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.994642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.994642 (E_RNA) where: Base-Base interactions energy: -1764.421 where: short stacking energy: -765.652 Base-Backbone interact. energy: 2.761 local terms energy: -766.335465 where: bonds (distance) C4'-P energy: -142.604 bonds (distance) P-C4' energy: -153.217 flat angles C4'-P-C4' energy: -172.156 flat angles P-C4'-P energy: -89.744 tors. eta vs tors. theta energy: -208.614 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: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2265.364788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.364788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.364788 (E_RNA) where: Base-Base interactions energy: -1537.625 where: short stacking energy: -653.460 Base-Backbone interact. energy: -1.753 local terms energy: -725.987246 where: bonds (distance) C4'-P energy: -134.313 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -172.822 flat angles P-C4'-P energy: -108.160 tors. eta vs tors. theta energy: -153.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2175.798355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.798355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.798355 (E_RNA) where: Base-Base interactions energy: -1493.909 where: short stacking energy: -648.288 Base-Backbone interact. energy: -5.105 local terms energy: -676.784710 where: bonds (distance) C4'-P energy: -128.505 bonds (distance) P-C4' energy: -129.346 flat angles C4'-P-C4' energy: -158.979 flat angles P-C4'-P energy: -98.481 tors. eta vs tors. theta energy: -161.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1933.361863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.361863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.361863 (E_RNA) where: Base-Base interactions energy: -1302.193 where: short stacking energy: -559.122 Base-Backbone interact. energy: 5.048 local terms energy: -636.216251 where: bonds (distance) C4'-P energy: -130.617 bonds (distance) P-C4' energy: -146.651 flat angles C4'-P-C4' energy: -151.868 flat angles P-C4'-P energy: -76.043 tors. eta vs tors. theta energy: -131.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1334.083537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.083537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.083537 (E_RNA) where: Base-Base interactions energy: -861.730 where: short stacking energy: -377.863 Base-Backbone interact. energy: 11.108 local terms energy: -483.462082 where: bonds (distance) C4'-P energy: -113.703 bonds (distance) P-C4' energy: -136.647 flat angles C4'-P-C4' energy: -120.238 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -36.928 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: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -865.692326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.692326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.692326 (E_RNA) where: Base-Base interactions energy: -451.186 where: short stacking energy: -264.353 Base-Backbone interact. energy: 6.952 local terms energy: -421.458133 where: bonds (distance) C4'-P energy: -138.537 bonds (distance) P-C4' energy: -123.745 flat angles C4'-P-C4' energy: -110.264 flat angles P-C4'-P energy: -52.723 tors. eta vs tors. theta energy: 3.811 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: 1, replica: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3054.359359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.359359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.359359 (E_RNA) where: Base-Base interactions energy: -2117.870 where: short stacking energy: -870.384 Base-Backbone interact. energy: 1.671 local terms energy: -938.160495 where: bonds (distance) C4'-P energy: -181.341 bonds (distance) P-C4' energy: -169.522 flat angles C4'-P-C4' energy: -192.506 flat angles P-C4'-P energy: -142.931 tors. eta vs tors. theta energy: -251.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2895.805825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.805825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.805825 (E_RNA) where: Base-Base interactions energy: -2014.076 where: short stacking energy: -818.670 Base-Backbone interact. energy: -2.935 local terms energy: -878.794224 where: bonds (distance) C4'-P energy: -166.197 bonds (distance) P-C4' energy: -165.281 flat angles C4'-P-C4' energy: -188.275 flat angles P-C4'-P energy: -131.770 tors. eta vs tors. theta energy: -227.271 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: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2741.901963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.901963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.901963 (E_RNA) where: Base-Base interactions energy: -1908.402 where: short stacking energy: -836.465 Base-Backbone interact. energy: -3.220 local terms energy: -830.280013 where: bonds (distance) C4'-P energy: -141.003 bonds (distance) P-C4' energy: -167.377 flat angles C4'-P-C4' energy: -174.381 flat angles P-C4'-P energy: -125.493 tors. eta vs tors. theta energy: -222.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2616.386396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.386396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.386396 (E_RNA) where: Base-Base interactions energy: -1813.450 where: short stacking energy: -792.718 Base-Backbone interact. energy: 1.129 local terms energy: -804.065885 where: bonds (distance) C4'-P energy: -146.128 bonds (distance) P-C4' energy: -153.212 flat angles C4'-P-C4' energy: -179.527 flat angles P-C4'-P energy: -122.600 tors. eta vs tors. theta energy: -202.599 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: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2532.965687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.965687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.965687 (E_RNA) where: Base-Base interactions energy: -1739.247 where: short stacking energy: -748.580 Base-Backbone interact. energy: -4.554 local terms energy: -789.164628 where: bonds (distance) C4'-P energy: -125.694 bonds (distance) P-C4' energy: -167.379 flat angles C4'-P-C4' energy: -173.981 flat angles P-C4'-P energy: -105.405 tors. eta vs tors. theta energy: -216.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2272.310598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.310598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.310598 (E_RNA) where: Base-Base interactions energy: -1550.364 where: short stacking energy: -668.533 Base-Backbone interact. energy: -2.134 local terms energy: -719.811860 where: bonds (distance) C4'-P energy: -122.133 bonds (distance) P-C4' energy: -158.196 flat angles C4'-P-C4' energy: -152.482 flat angles P-C4'-P energy: -108.988 tors. eta vs tors. theta energy: -178.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2257.784280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.784280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.784280 (E_RNA) where: Base-Base interactions energy: -1535.970 where: short stacking energy: -674.665 Base-Backbone interact. energy: 0.699 local terms energy: -722.513475 where: bonds (distance) C4'-P energy: -152.329 bonds (distance) P-C4' energy: -131.340 flat angles C4'-P-C4' energy: -157.670 flat angles P-C4'-P energy: -106.127 tors. eta vs tors. theta energy: -175.048 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: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1928.501109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.501109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.501109 (E_RNA) where: Base-Base interactions energy: -1302.189 where: short stacking energy: -577.842 Base-Backbone interact. energy: -1.014 local terms energy: -625.298201 where: bonds (distance) C4'-P energy: -140.027 bonds (distance) P-C4' energy: -142.819 flat angles C4'-P-C4' energy: -148.440 flat angles P-C4'-P energy: -65.740 tors. eta vs tors. theta energy: -128.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1347.438960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.438960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.438960 (E_RNA) where: Base-Base interactions energy: -812.075 where: short stacking energy: -392.904 Base-Backbone interact. energy: -0.435 local terms energy: -534.928567 where: bonds (distance) C4'-P energy: -146.442 bonds (distance) P-C4' energy: -147.466 flat angles C4'-P-C4' energy: -114.755 flat angles P-C4'-P energy: -82.196 tors. eta vs tors. theta energy: -44.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -982.504053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.504053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.504053 (E_RNA) where: Base-Base interactions energy: -520.245 where: short stacking energy: -288.499 Base-Backbone interact. energy: 7.113 local terms energy: -469.372457 where: bonds (distance) C4'-P energy: -134.905 bonds (distance) P-C4' energy: -143.210 flat angles C4'-P-C4' energy: -123.662 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: 7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3074.411767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.411767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.411767 (E_RNA) where: Base-Base interactions energy: -2148.123 where: short stacking energy: -914.177 Base-Backbone interact. energy: -5.153 local terms energy: -921.135694 where: bonds (distance) C4'-P energy: -162.805 bonds (distance) P-C4' energy: -168.683 flat angles C4'-P-C4' energy: -197.648 flat angles P-C4'-P energy: -132.999 tors. eta vs tors. theta energy: -259.001 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: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2928.186170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.186170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.186170 (E_RNA) where: Base-Base interactions energy: -2046.829 where: short stacking energy: -853.442 Base-Backbone interact. energy: -3.110 local terms energy: -878.247411 where: bonds (distance) C4'-P energy: -148.938 bonds (distance) P-C4' energy: -188.768 flat angles C4'-P-C4' energy: -185.781 flat angles P-C4'-P energy: -125.515 tors. eta vs tors. theta energy: -229.244 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: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2794.234636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.234636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.234636 (E_RNA) where: Base-Base interactions energy: -1958.477 where: short stacking energy: -858.898 Base-Backbone interact. energy: 1.005 local terms energy: -836.762555 where: bonds (distance) C4'-P energy: -140.512 bonds (distance) P-C4' energy: -155.150 flat angles C4'-P-C4' energy: -194.749 flat angles P-C4'-P energy: -123.178 tors. eta vs tors. theta energy: -223.174 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: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2620.771640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.771640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.771640 (E_RNA) where: Base-Base interactions energy: -1827.725 where: short stacking energy: -784.333 Base-Backbone interact. energy: -2.073 local terms energy: -790.974247 where: bonds (distance) C4'-P energy: -152.973 bonds (distance) P-C4' energy: -156.013 flat angles C4'-P-C4' energy: -167.784 flat angles P-C4'-P energy: -107.363 tors. eta vs tors. theta energy: -206.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2524.763478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.763478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.763478 (E_RNA) where: Base-Base interactions energy: -1739.442 where: short stacking energy: -733.943 Base-Backbone interact. energy: -8.240 local terms energy: -777.082044 where: bonds (distance) C4'-P energy: -145.571 bonds (distance) P-C4' energy: -146.963 flat angles C4'-P-C4' energy: -179.119 flat angles P-C4'-P energy: -102.733 tors. eta vs tors. theta energy: -202.696 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: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2342.797296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.797296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.797296 (E_RNA) where: Base-Base interactions energy: -1571.727 where: short stacking energy: -666.901 Base-Backbone interact. energy: 1.153 local terms energy: -772.223187 where: bonds (distance) C4'-P energy: -137.790 bonds (distance) P-C4' energy: -173.294 flat angles C4'-P-C4' energy: -169.385 flat angles P-C4'-P energy: -113.817 tors. eta vs tors. theta energy: -177.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2303.284701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.284701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.284701 (E_RNA) where: Base-Base interactions energy: -1593.168 where: short stacking energy: -684.230 Base-Backbone interact. energy: -2.234 local terms energy: -707.882258 where: bonds (distance) C4'-P energy: -139.432 bonds (distance) P-C4' energy: -142.270 flat angles C4'-P-C4' energy: -145.610 flat angles P-C4'-P energy: -109.440 tors. eta vs tors. theta energy: -171.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1968.692978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.692978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.692978 (E_RNA) where: Base-Base interactions energy: -1300.462 where: short stacking energy: -584.167 Base-Backbone interact. energy: 1.978 local terms energy: -670.208773 where: bonds (distance) C4'-P energy: -133.080 bonds (distance) P-C4' energy: -137.727 flat angles C4'-P-C4' energy: -171.856 flat angles P-C4'-P energy: -98.398 tors. eta vs tors. theta energy: -129.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1339.328410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.328410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.328410 (E_RNA) where: Base-Base interactions energy: -803.517 where: short stacking energy: -381.343 Base-Backbone interact. energy: -0.527 local terms energy: -535.284205 where: bonds (distance) C4'-P energy: -138.737 bonds (distance) P-C4' energy: -144.785 flat angles C4'-P-C4' energy: -128.956 flat angles P-C4'-P energy: -78.352 tors. eta vs tors. theta energy: -44.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -944.304971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.304971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.304971 (E_RNA) where: Base-Base interactions energy: -504.553 where: short stacking energy: -272.391 Base-Backbone interact. energy: 6.862 local terms energy: -446.613921 where: bonds (distance) C4'-P energy: -135.441 bonds (distance) P-C4' energy: -152.343 flat angles C4'-P-C4' energy: -101.589 flat angles P-C4'-P energy: -63.535 tors. eta vs tors. theta energy: 6.294 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: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3042.713188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.713188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.713188 (E_RNA) where: Base-Base interactions energy: -2136.064 where: short stacking energy: -897.865 Base-Backbone interact. energy: 2.227 local terms energy: -908.876130 where: bonds (distance) C4'-P energy: -155.430 bonds (distance) P-C4' energy: -167.401 flat angles C4'-P-C4' energy: -196.522 flat angles P-C4'-P energy: -140.032 tors. eta vs tors. theta energy: -249.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2905.967626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.967626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.967626 (E_RNA) where: Base-Base interactions energy: -2038.433 where: short stacking energy: -834.834 Base-Backbone interact. energy: -3.269 local terms energy: -864.266108 where: bonds (distance) C4'-P energy: -157.234 bonds (distance) P-C4' energy: -178.503 flat angles C4'-P-C4' energy: -186.779 flat angles P-C4'-P energy: -124.124 tors. eta vs tors. theta energy: -217.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2789.837230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.837230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.837230 (E_RNA) where: Base-Base interactions energy: -1926.100 where: short stacking energy: -823.611 Base-Backbone interact. energy: -4.295 local terms energy: -859.442370 where: bonds (distance) C4'-P energy: -147.114 bonds (distance) P-C4' energy: -166.293 flat angles C4'-P-C4' energy: -179.924 flat angles P-C4'-P energy: -128.352 tors. eta vs tors. theta energy: -237.760 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: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2623.601933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.601933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.601933 (E_RNA) where: Base-Base interactions energy: -1776.886 where: short stacking energy: -784.455 Base-Backbone interact. energy: -0.041 local terms energy: -846.674460 where: bonds (distance) C4'-P energy: -162.960 bonds (distance) P-C4' energy: -171.863 flat angles C4'-P-C4' energy: -185.338 flat angles P-C4'-P energy: -108.227 tors. eta vs tors. theta energy: -218.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2503.592050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.592050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.592050 (E_RNA) where: Base-Base interactions energy: -1719.663 where: short stacking energy: -724.727 Base-Backbone interact. energy: -2.963 local terms energy: -780.965912 where: bonds (distance) C4'-P energy: -150.039 bonds (distance) P-C4' energy: -160.022 flat angles C4'-P-C4' energy: -165.444 flat angles P-C4'-P energy: -103.330 tors. eta vs tors. theta energy: -202.130 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: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2512.803018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.803018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.803018 (E_RNA) where: Base-Base interactions energy: -1768.178 where: short stacking energy: -764.636 Base-Backbone interact. energy: -2.459 local terms energy: -742.166119 where: bonds (distance) C4'-P energy: -147.310 bonds (distance) P-C4' energy: -120.849 flat angles C4'-P-C4' energy: -171.615 flat angles P-C4'-P energy: -103.709 tors. eta vs tors. theta energy: -198.683 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: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2256.425946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.425946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.425946 (E_RNA) where: Base-Base interactions energy: -1551.073 where: short stacking energy: -671.405 Base-Backbone interact. energy: 0.914 local terms energy: -706.267859 where: bonds (distance) C4'-P energy: -158.247 bonds (distance) P-C4' energy: -147.479 flat angles C4'-P-C4' energy: -136.760 flat angles P-C4'-P energy: -91.316 tors. eta vs tors. theta energy: -172.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1969.966833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.966833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.966833 (E_RNA) where: Base-Base interactions energy: -1324.675 where: short stacking energy: -579.650 Base-Backbone interact. energy: -3.307 local terms energy: -641.984649 where: bonds (distance) C4'-P energy: -119.239 bonds (distance) P-C4' energy: -166.327 flat angles C4'-P-C4' energy: -133.877 flat angles P-C4'-P energy: -86.372 tors. eta vs tors. theta energy: -136.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1298.505984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.505984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.505984 (E_RNA) where: Base-Base interactions energy: -757.615 where: short stacking energy: -393.824 Base-Backbone interact. energy: -2.202 local terms energy: -538.688965 where: bonds (distance) C4'-P energy: -135.043 bonds (distance) P-C4' energy: -146.630 flat angles C4'-P-C4' energy: -114.178 flat angles P-C4'-P energy: -89.272 tors. eta vs tors. theta energy: -53.566 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: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -956.418550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.418550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.418550 (E_RNA) where: Base-Base interactions energy: -493.053 where: short stacking energy: -266.580 Base-Backbone interact. energy: 8.613 local terms energy: -471.978950 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -147.281 flat angles C4'-P-C4' energy: -135.257 flat angles P-C4'-P energy: -75.367 tors. eta vs tors. theta energy: 12.036 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: 1, replica: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3047.518289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.518289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.518289 (E_RNA) where: Base-Base interactions energy: -2140.273 where: short stacking energy: -916.508 Base-Backbone interact. energy: -0.937 local terms energy: -906.308637 where: bonds (distance) C4'-P energy: -181.182 bonds (distance) P-C4' energy: -164.492 flat angles C4'-P-C4' energy: -180.604 flat angles P-C4'-P energy: -132.189 tors. eta vs tors. theta energy: -247.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2912.477193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.477193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.477193 (E_RNA) where: Base-Base interactions energy: -2057.641 where: short stacking energy: -872.999 Base-Backbone interact. energy: 0.871 local terms energy: -855.706875 where: bonds (distance) C4'-P energy: -162.017 bonds (distance) P-C4' energy: -158.060 flat angles C4'-P-C4' energy: -176.824 flat angles P-C4'-P energy: -124.936 tors. eta vs tors. theta energy: -233.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2786.774060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.774060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.774060 (E_RNA) where: Base-Base interactions energy: -1936.911 where: short stacking energy: -825.506 Base-Backbone interact. energy: 1.381 local terms energy: -851.243804 where: bonds (distance) C4'-P energy: -147.391 bonds (distance) P-C4' energy: -167.721 flat angles C4'-P-C4' energy: -190.570 flat angles P-C4'-P energy: -122.993 tors. eta vs tors. theta energy: -222.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2600.702181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.702181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.702181 (E_RNA) where: Base-Base interactions energy: -1772.903 where: short stacking energy: -765.274 Base-Backbone interact. energy: -2.846 local terms energy: -824.953249 where: bonds (distance) C4'-P energy: -154.519 bonds (distance) P-C4' energy: -165.543 flat angles C4'-P-C4' energy: -174.819 flat angles P-C4'-P energy: -114.990 tors. eta vs tors. theta energy: -215.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2502.141560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.141560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.141560 (E_RNA) where: Base-Base interactions energy: -1735.814 where: short stacking energy: -749.426 Base-Backbone interact. energy: 2.303 local terms energy: -768.630515 where: bonds (distance) C4'-P energy: -148.540 bonds (distance) P-C4' energy: -138.448 flat angles C4'-P-C4' energy: -169.547 flat angles P-C4'-P energy: -102.235 tors. eta vs tors. theta energy: -209.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2418.310856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.310856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.310856 (E_RNA) where: Base-Base interactions energy: -1701.118 where: short stacking energy: -746.947 Base-Backbone interact. energy: 3.810 local terms energy: -721.002532 where: bonds (distance) C4'-P energy: -129.585 bonds (distance) P-C4' energy: -154.019 flat angles C4'-P-C4' energy: -175.713 flat angles P-C4'-P energy: -74.686 tors. eta vs tors. theta energy: -186.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2222.248097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.248097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.248097 (E_RNA) where: Base-Base interactions energy: -1492.176 where: short stacking energy: -624.676 Base-Backbone interact. energy: 8.109 local terms energy: -738.180824 where: bonds (distance) C4'-P energy: -156.628 bonds (distance) P-C4' energy: -158.569 flat angles C4'-P-C4' energy: -174.369 flat angles P-C4'-P energy: -95.790 tors. eta vs tors. theta energy: -152.824 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: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1891.790422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.790422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.790422 (E_RNA) where: Base-Base interactions energy: -1246.970 where: short stacking energy: -569.171 Base-Backbone interact. energy: -1.755 local terms energy: -643.066288 where: bonds (distance) C4'-P energy: -146.131 bonds (distance) P-C4' energy: -133.770 flat angles C4'-P-C4' energy: -134.297 flat angles P-C4'-P energy: -99.270 tors. eta vs tors. theta energy: -129.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1275.393370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.393370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.393370 (E_RNA) where: Base-Base interactions energy: -756.254 where: short stacking energy: -367.437 Base-Backbone interact. energy: 1.729 local terms energy: -520.868064 where: bonds (distance) C4'-P energy: -140.040 bonds (distance) P-C4' energy: -146.802 flat angles C4'-P-C4' energy: -111.940 flat angles P-C4'-P energy: -85.786 tors. eta vs tors. theta energy: -36.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -926.918477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.918477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.918477 (E_RNA) where: Base-Base interactions energy: -495.113 where: short stacking energy: -259.929 Base-Backbone interact. energy: 3.206 local terms energy: -435.010893 where: bonds (distance) C4'-P energy: -130.985 bonds (distance) P-C4' energy: -142.939 flat angles C4'-P-C4' energy: -98.544 flat angles P-C4'-P energy: -75.932 tors. eta vs tors. theta energy: 13.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3067.154565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.154565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.154565 (E_RNA) where: Base-Base interactions energy: -2137.715 where: short stacking energy: -896.248 Base-Backbone interact. energy: -3.295 local terms energy: -926.144672 where: bonds (distance) C4'-P energy: -177.905 bonds (distance) P-C4' energy: -164.994 flat angles C4'-P-C4' energy: -192.775 flat angles P-C4'-P energy: -136.530 tors. eta vs tors. theta energy: -253.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2907.429857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.429857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.429857 (E_RNA) where: Base-Base interactions energy: -2023.034 where: short stacking energy: -858.215 Base-Backbone interact. energy: -4.343 local terms energy: -880.052899 where: bonds (distance) C4'-P energy: -160.489 bonds (distance) P-C4' energy: -173.258 flat angles C4'-P-C4' energy: -182.347 flat angles P-C4'-P energy: -124.318 tors. eta vs tors. theta energy: -239.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2820.005420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.005420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.005420 (E_RNA) where: Base-Base interactions energy: -1965.987 where: short stacking energy: -836.099 Base-Backbone interact. energy: -1.863 local terms energy: -852.156326 where: bonds (distance) C4'-P energy: -169.917 bonds (distance) P-C4' energy: -170.757 flat angles C4'-P-C4' energy: -172.856 flat angles P-C4'-P energy: -108.841 tors. eta vs tors. theta energy: -229.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2617.203576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.203576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.203576 (E_RNA) where: Base-Base interactions energy: -1810.555 where: short stacking energy: -794.404 Base-Backbone interact. energy: -4.684 local terms energy: -801.963898 where: bonds (distance) C4'-P energy: -138.683 bonds (distance) P-C4' energy: -167.103 flat angles C4'-P-C4' energy: -172.845 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -222.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2543.881683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.881683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.881683 (E_RNA) where: Base-Base interactions energy: -1745.774 where: short stacking energy: -745.008 Base-Backbone interact. energy: -0.257 local terms energy: -797.850866 where: bonds (distance) C4'-P energy: -138.839 bonds (distance) P-C4' energy: -159.852 flat angles C4'-P-C4' energy: -181.641 flat angles P-C4'-P energy: -117.024 tors. eta vs tors. theta energy: -200.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2438.791804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.791804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.791804 (E_RNA) where: Base-Base interactions energy: -1666.482 where: short stacking energy: -749.850 Base-Backbone interact. energy: -0.107 local terms energy: -772.202586 where: bonds (distance) C4'-P energy: -129.669 bonds (distance) P-C4' energy: -157.511 flat angles C4'-P-C4' energy: -163.263 flat angles P-C4'-P energy: -120.600 tors. eta vs tors. theta energy: -201.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2195.296397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.296397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.296397 (E_RNA) where: Base-Base interactions energy: -1483.885 where: short stacking energy: -622.561 Base-Backbone interact. energy: -0.633 local terms energy: -710.778619 where: bonds (distance) C4'-P energy: -146.624 bonds (distance) P-C4' energy: -149.614 flat angles C4'-P-C4' energy: -147.395 flat angles P-C4'-P energy: -105.054 tors. eta vs tors. theta energy: -162.090 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: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1907.832599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.832599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.832599 (E_RNA) where: Base-Base interactions energy: -1288.677 where: short stacking energy: -592.700 Base-Backbone interact. energy: -0.376 local terms energy: -618.779664 where: bonds (distance) C4'-P energy: -133.976 bonds (distance) P-C4' energy: -143.003 flat angles C4'-P-C4' energy: -138.273 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -120.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1333.534664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.534664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.534664 (E_RNA) where: Base-Base interactions energy: -792.049 where: short stacking energy: -378.005 Base-Backbone interact. energy: 0.177 local terms energy: -541.662812 where: bonds (distance) C4'-P energy: -138.565 bonds (distance) P-C4' energy: -150.699 flat angles C4'-P-C4' energy: -128.791 flat angles P-C4'-P energy: -80.044 tors. eta vs tors. theta energy: -43.564 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1036.275611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.275611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.275611 (E_RNA) where: Base-Base interactions energy: -562.504 where: short stacking energy: -328.213 Base-Backbone interact. energy: 5.135 local terms energy: -478.907016 where: bonds (distance) C4'-P energy: -142.105 bonds (distance) P-C4' energy: -144.901 flat angles C4'-P-C4' energy: -113.225 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -26.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3060.748875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.748875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.748875 (E_RNA) where: Base-Base interactions energy: -2139.533 where: short stacking energy: -900.402 Base-Backbone interact. energy: -3.114 local terms energy: -918.102697 where: bonds (distance) C4'-P energy: -167.196 bonds (distance) P-C4' energy: -170.315 flat angles C4'-P-C4' energy: -194.043 flat angles P-C4'-P energy: -138.799 tors. eta vs tors. theta energy: -247.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2915.424980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.424980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.424980 (E_RNA) where: Base-Base interactions energy: -2048.087 where: short stacking energy: -882.238 Base-Backbone interact. energy: -0.713 local terms energy: -866.624470 where: bonds (distance) C4'-P energy: -143.846 bonds (distance) P-C4' energy: -167.954 flat angles C4'-P-C4' energy: -189.591 flat angles P-C4'-P energy: -127.067 tors. eta vs tors. theta energy: -238.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2760.054669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.054669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.054669 (E_RNA) where: Base-Base interactions energy: -1885.843 where: short stacking energy: -847.094 Base-Backbone interact. energy: -4.540 local terms energy: -869.671314 where: bonds (distance) C4'-P energy: -157.326 bonds (distance) P-C4' energy: -175.587 flat angles C4'-P-C4' energy: -184.367 flat angles P-C4'-P energy: -108.149 tors. eta vs tors. theta energy: -244.243 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: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2660.486121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.486121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.486121 (E_RNA) where: Base-Base interactions energy: -1857.292 where: short stacking energy: -784.513 Base-Backbone interact. energy: -0.743 local terms energy: -802.450506 where: bonds (distance) C4'-P energy: -143.192 bonds (distance) P-C4' energy: -154.944 flat angles C4'-P-C4' energy: -189.067 flat angles P-C4'-P energy: -106.203 tors. eta vs tors. theta energy: -209.044 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: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2505.530612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.530612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.530612 (E_RNA) where: Base-Base interactions energy: -1756.573 where: short stacking energy: -742.962 Base-Backbone interact. energy: 0.192 local terms energy: -749.149869 where: bonds (distance) C4'-P energy: -146.587 bonds (distance) P-C4' energy: -144.704 flat angles C4'-P-C4' energy: -158.972 flat angles P-C4'-P energy: -99.142 tors. eta vs tors. theta energy: -199.745 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: 322 Temperature: 1.150000 Total energy: -2449.411059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.411059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.411059 (E_RNA) where: Base-Base interactions energy: -1706.649 where: short stacking energy: -721.198 Base-Backbone interact. energy: -0.313 local terms energy: -742.448822 where: bonds (distance) C4'-P energy: -138.964 bonds (distance) P-C4' energy: -161.114 flat angles C4'-P-C4' energy: -155.409 flat angles P-C4'-P energy: -88.767 tors. eta vs tors. theta energy: -198.195 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: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2168.866685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.866685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.866685 (E_RNA) where: Base-Base interactions energy: -1475.821 where: short stacking energy: -633.055 Base-Backbone interact. energy: 1.583 local terms energy: -694.628519 where: bonds (distance) C4'-P energy: -129.495 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -160.445 flat angles P-C4'-P energy: -89.197 tors. eta vs tors. theta energy: -169.230 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: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1902.506889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.506889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.506889 (E_RNA) where: Base-Base interactions energy: -1265.404 where: short stacking energy: -532.175 Base-Backbone interact. energy: -0.131 local terms energy: -636.971653 where: bonds (distance) C4'-P energy: -133.506 bonds (distance) P-C4' energy: -147.117 flat angles C4'-P-C4' energy: -134.673 flat angles P-C4'-P energy: -108.202 tors. eta vs tors. theta energy: -113.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1314.265258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.265258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.265258 (E_RNA) where: Base-Base interactions energy: -798.928 where: short stacking energy: -413.279 Base-Backbone interact. energy: -0.218 local terms energy: -515.119601 where: bonds (distance) C4'-P energy: -120.644 bonds (distance) P-C4' energy: -140.135 flat angles C4'-P-C4' energy: -106.298 flat angles P-C4'-P energy: -82.048 tors. eta vs tors. theta energy: -65.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -966.974382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.974382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.974382 (E_RNA) where: Base-Base interactions energy: -491.720 where: short stacking energy: -282.841 Base-Backbone interact. energy: 0.578 local terms energy: -475.832140 where: bonds (distance) C4'-P energy: -141.184 bonds (distance) P-C4' energy: -135.276 flat angles C4'-P-C4' energy: -114.459 flat angles P-C4'-P energy: -73.630 tors. eta vs tors. theta energy: -11.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3051.410825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.410825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.410825 (E_RNA) where: Base-Base interactions energy: -2175.605 where: short stacking energy: -922.440 Base-Backbone interact. energy: -5.304 local terms energy: -870.502359 where: bonds (distance) C4'-P energy: -168.097 bonds (distance) P-C4' energy: -154.965 flat angles C4'-P-C4' energy: -184.966 flat angles P-C4'-P energy: -109.855 tors. eta vs tors. theta energy: -252.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2934.291602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.291602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.291602 (E_RNA) where: Base-Base interactions energy: -2075.189 where: short stacking energy: -897.580 Base-Backbone interact. energy: -5.538 local terms energy: -853.564973 where: bonds (distance) C4'-P energy: -140.992 bonds (distance) P-C4' energy: -164.399 flat angles C4'-P-C4' energy: -190.559 flat angles P-C4'-P energy: -122.859 tors. eta vs tors. theta energy: -234.756 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: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2800.926946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.926946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.926946 (E_RNA) where: Base-Base interactions energy: -1925.470 where: short stacking energy: -864.961 Base-Backbone interact. energy: -4.887 local terms energy: -870.569792 where: bonds (distance) C4'-P energy: -165.041 bonds (distance) P-C4' energy: -161.132 flat angles C4'-P-C4' energy: -183.133 flat angles P-C4'-P energy: -121.616 tors. eta vs tors. theta energy: -239.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2662.077117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.077117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.077117 (E_RNA) where: Base-Base interactions energy: -1849.464 where: short stacking energy: -809.352 Base-Backbone interact. energy: -0.810 local terms energy: -811.803107 where: bonds (distance) C4'-P energy: -151.468 bonds (distance) P-C4' energy: -156.666 flat angles C4'-P-C4' energy: -180.657 flat angles P-C4'-P energy: -94.942 tors. eta vs tors. theta energy: -228.071 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: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2528.429924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.429924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.429924 (E_RNA) where: Base-Base interactions energy: -1752.548 where: short stacking energy: -785.396 Base-Backbone interact. energy: 2.566 local terms energy: -778.447333 where: bonds (distance) C4'-P energy: -123.652 bonds (distance) P-C4' energy: -148.635 flat angles C4'-P-C4' energy: -179.413 flat angles P-C4'-P energy: -104.223 tors. eta vs tors. theta energy: -222.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2391.142676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.142676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.142676 (E_RNA) where: Base-Base interactions energy: -1674.452 where: short stacking energy: -685.595 Base-Backbone interact. energy: -2.281 local terms energy: -714.409819 where: bonds (distance) C4'-P energy: -123.920 bonds (distance) P-C4' energy: -137.629 flat angles C4'-P-C4' energy: -159.147 flat angles P-C4'-P energy: -104.139 tors. eta vs tors. theta energy: -189.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2092.272756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.272756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.272756 (E_RNA) where: Base-Base interactions energy: -1421.095 where: short stacking energy: -597.310 Base-Backbone interact. energy: -1.027 local terms energy: -670.150843 where: bonds (distance) C4'-P energy: -145.301 bonds (distance) P-C4' energy: -139.259 flat angles C4'-P-C4' energy: -153.279 flat angles P-C4'-P energy: -95.934 tors. eta vs tors. theta energy: -136.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1900.603344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.603344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.603344 (E_RNA) where: Base-Base interactions energy: -1264.829 where: short stacking energy: -579.205 Base-Backbone interact. energy: 6.697 local terms energy: -642.471489 where: bonds (distance) C4'-P energy: -137.979 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -154.952 flat angles P-C4'-P energy: -80.837 tors. eta vs tors. theta energy: -128.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1300.342141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.342141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.342141 (E_RNA) where: Base-Base interactions energy: -758.909 where: short stacking energy: -350.163 Base-Backbone interact. energy: 3.771 local terms energy: -545.203333 where: bonds (distance) C4'-P energy: -132.315 bonds (distance) P-C4' energy: -139.670 flat angles C4'-P-C4' energy: -129.679 flat angles P-C4'-P energy: -97.843 tors. eta vs tors. theta energy: -45.697 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: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1119.508126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.508126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.508126 (E_RNA) where: Base-Base interactions energy: -636.833 where: short stacking energy: -345.837 Base-Backbone interact. energy: 3.151 local terms energy: -485.826192 where: bonds (distance) C4'-P energy: -110.789 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -138.635 flat angles P-C4'-P energy: -84.700 tors. eta vs tors. theta energy: -26.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3052.658066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.658066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.658066 (E_RNA) where: Base-Base interactions energy: -2153.186 where: short stacking energy: -900.240 Base-Backbone interact. energy: -0.321 local terms energy: -899.150370 where: bonds (distance) C4'-P energy: -164.554 bonds (distance) P-C4' energy: -176.731 flat angles C4'-P-C4' energy: -192.684 flat angles P-C4'-P energy: -129.187 tors. eta vs tors. theta energy: -235.994 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: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2935.879531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.879531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.879531 (E_RNA) where: Base-Base interactions energy: -2065.424 where: short stacking energy: -865.366 Base-Backbone interact. energy: -0.645 local terms energy: -869.809836 where: bonds (distance) C4'-P energy: -166.322 bonds (distance) P-C4' energy: -156.244 flat angles C4'-P-C4' energy: -187.146 flat angles P-C4'-P energy: -119.019 tors. eta vs tors. theta energy: -241.079 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: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2767.562720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.562720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.562720 (E_RNA) where: Base-Base interactions energy: -1929.588 where: short stacking energy: -873.160 Base-Backbone interact. energy: -4.299 local terms energy: -833.676275 where: bonds (distance) C4'-P energy: -148.006 bonds (distance) P-C4' energy: -152.758 flat angles C4'-P-C4' energy: -171.706 flat angles P-C4'-P energy: -114.024 tors. eta vs tors. theta energy: -247.183 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: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2676.980408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.980408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.980408 (E_RNA) where: Base-Base interactions energy: -1875.561 where: short stacking energy: -804.892 Base-Backbone interact. energy: -1.101 local terms energy: -800.317812 where: bonds (distance) C4'-P energy: -136.966 bonds (distance) P-C4' energy: -149.804 flat angles C4'-P-C4' energy: -178.484 flat angles P-C4'-P energy: -108.625 tors. eta vs tors. theta energy: -226.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2550.296541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.296541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.296541 (E_RNA) where: Base-Base interactions energy: -1791.881 where: short stacking energy: -758.311 Base-Backbone interact. energy: -0.070 local terms energy: -758.345589 where: bonds (distance) C4'-P energy: -117.466 bonds (distance) P-C4' energy: -159.020 flat angles C4'-P-C4' energy: -168.390 flat angles P-C4'-P energy: -99.281 tors. eta vs tors. theta energy: -214.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2418.379093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.379093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.379093 (E_RNA) where: Base-Base interactions energy: -1654.255 where: short stacking energy: -705.585 Base-Backbone interact. energy: -4.668 local terms energy: -759.455387 where: bonds (distance) C4'-P energy: -155.035 bonds (distance) P-C4' energy: -144.979 flat angles C4'-P-C4' energy: -172.923 flat angles P-C4'-P energy: -101.130 tors. eta vs tors. theta energy: -185.388 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: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2168.787838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.787838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.787838 (E_RNA) where: Base-Base interactions energy: -1499.452 where: short stacking energy: -620.091 Base-Backbone interact. energy: -0.954 local terms energy: -668.382341 where: bonds (distance) C4'-P energy: -143.686 bonds (distance) P-C4' energy: -135.710 flat angles C4'-P-C4' energy: -157.557 flat angles P-C4'-P energy: -87.657 tors. eta vs tors. theta energy: -143.772 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: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1892.650496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.650496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.650496 (E_RNA) where: Base-Base interactions energy: -1267.632 where: short stacking energy: -552.655 Base-Backbone interact. energy: 2.752 local terms energy: -627.769879 where: bonds (distance) C4'-P energy: -125.021 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -169.492 flat angles P-C4'-P energy: -89.784 tors. eta vs tors. theta energy: -116.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1282.154122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.154122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.154122 (E_RNA) where: Base-Base interactions energy: -822.382 where: short stacking energy: -369.780 Base-Backbone interact. energy: 5.438 local terms energy: -465.210862 where: bonds (distance) C4'-P energy: -105.353 bonds (distance) P-C4' energy: -145.396 flat angles C4'-P-C4' energy: -119.770 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -15.785 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: 324 Temperature: 1.350000 Total energy: -1090.838869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.838869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.838869 (E_RNA) where: Base-Base interactions energy: -562.606 where: short stacking energy: -284.244 Base-Backbone interact. energy: -4.046 local terms energy: -524.186666 where: bonds (distance) C4'-P energy: -152.454 bonds (distance) P-C4' energy: -137.561 flat angles C4'-P-C4' energy: -133.570 flat angles P-C4'-P energy: -82.123 tors. eta vs tors. theta energy: -18.479 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: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3040.312762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.312762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.312762 (E_RNA) where: Base-Base interactions energy: -2165.005 where: short stacking energy: -894.615 Base-Backbone interact. energy: -2.115 local terms energy: -873.192491 where: bonds (distance) C4'-P energy: -148.311 bonds (distance) P-C4' energy: -168.765 flat angles C4'-P-C4' energy: -194.623 flat angles P-C4'-P energy: -121.626 tors. eta vs tors. theta energy: -239.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2929.446787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.446787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.446787 (E_RNA) where: Base-Base interactions energy: -2041.857 where: short stacking energy: -845.773 Base-Backbone interact. energy: -3.463 local terms energy: -884.126970 where: bonds (distance) C4'-P energy: -165.504 bonds (distance) P-C4' energy: -171.688 flat angles C4'-P-C4' energy: -182.282 flat angles P-C4'-P energy: -127.270 tors. eta vs tors. theta energy: -237.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2772.495137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.495137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.495137 (E_RNA) where: Base-Base interactions energy: -1908.189 where: short stacking energy: -862.209 Base-Backbone interact. energy: -3.686 local terms energy: -860.619592 where: bonds (distance) C4'-P energy: -158.141 bonds (distance) P-C4' energy: -157.436 flat angles C4'-P-C4' energy: -191.164 flat angles P-C4'-P energy: -122.298 tors. eta vs tors. theta energy: -231.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2684.896961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.896961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.896961 (E_RNA) where: Base-Base interactions energy: -1853.786 where: short stacking energy: -805.997 Base-Backbone interact. energy: 1.982 local terms energy: -833.092830 where: bonds (distance) C4'-P energy: -144.560 bonds (distance) P-C4' energy: -154.149 flat angles C4'-P-C4' energy: -185.751 flat angles P-C4'-P energy: -122.586 tors. eta vs tors. theta energy: -226.047 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: 1 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2549.401038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.401038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.401038 (E_RNA) where: Base-Base interactions energy: -1729.206 where: short stacking energy: -775.455 Base-Backbone interact. energy: 4.001 local terms energy: -824.196131 where: bonds (distance) C4'-P energy: -154.866 bonds (distance) P-C4' energy: -153.802 flat angles C4'-P-C4' energy: -181.222 flat angles P-C4'-P energy: -111.175 tors. eta vs tors. theta energy: -223.130 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: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2307.902182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.902182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.902182 (E_RNA) where: Base-Base interactions energy: -1560.190 where: short stacking energy: -664.945 Base-Backbone interact. energy: 0.217 local terms energy: -747.928983 where: bonds (distance) C4'-P energy: -158.749 bonds (distance) P-C4' energy: -156.801 flat angles C4'-P-C4' energy: -153.541 flat angles P-C4'-P energy: -102.665 tors. eta vs tors. theta energy: -176.173 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: 7, replica: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2175.070241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.070241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.070241 (E_RNA) where: Base-Base interactions energy: -1535.667 where: short stacking energy: -666.804 Base-Backbone interact. energy: 1.336 local terms energy: -640.739768 where: bonds (distance) C4'-P energy: -121.953 bonds (distance) P-C4' energy: -110.869 flat angles C4'-P-C4' energy: -162.164 flat angles P-C4'-P energy: -88.011 tors. eta vs tors. theta energy: -157.744 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: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1867.677481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.677481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.677481 (E_RNA) where: Base-Base interactions energy: -1245.579 where: short stacking energy: -560.309 Base-Backbone interact. energy: -1.274 local terms energy: -620.824474 where: bonds (distance) C4'-P energy: -134.613 bonds (distance) P-C4' energy: -154.790 flat angles C4'-P-C4' energy: -130.372 flat angles P-C4'-P energy: -81.220 tors. eta vs tors. theta energy: -119.831 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: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1283.566732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.566732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.566732 (E_RNA) where: Base-Base interactions energy: -732.813 where: short stacking energy: -337.372 Base-Backbone interact. energy: -0.092 local terms energy: -550.662294 where: bonds (distance) C4'-P energy: -157.279 bonds (distance) P-C4' energy: -145.892 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -83.877 tors. eta vs tors. theta energy: -48.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1021.437954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.437954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.437954 (E_RNA) where: Base-Base interactions energy: -556.206 where: short stacking energy: -275.695 Base-Backbone interact. energy: 0.112 local terms energy: -465.343654 where: bonds (distance) C4'-P energy: -131.338 bonds (distance) P-C4' energy: -126.830 flat angles C4'-P-C4' energy: -135.003 flat angles P-C4'-P energy: -75.933 tors. eta vs tors. theta energy: 3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3046.343553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.343553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.343553 (E_RNA) where: Base-Base interactions energy: -2166.067 where: short stacking energy: -888.184 Base-Backbone interact. energy: -3.535 local terms energy: -876.741439 where: bonds (distance) C4'-P energy: -164.282 bonds (distance) P-C4' energy: -175.410 flat angles C4'-P-C4' energy: -183.227 flat angles P-C4'-P energy: -116.383 tors. eta vs tors. theta energy: -237.440 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: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2921.267293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.267293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.267293 (E_RNA) where: Base-Base interactions energy: -2058.757 where: short stacking energy: -864.224 Base-Backbone interact. energy: -2.314 local terms energy: -860.195405 where: bonds (distance) C4'-P energy: -162.716 bonds (distance) P-C4' energy: -161.260 flat angles C4'-P-C4' energy: -185.520 flat angles P-C4'-P energy: -114.330 tors. eta vs tors. theta energy: -236.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2730.760753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.760753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.760753 (E_RNA) where: Base-Base interactions energy: -1890.802 where: short stacking energy: -817.779 Base-Backbone interact. energy: -4.643 local terms energy: -835.316351 where: bonds (distance) C4'-P energy: -142.580 bonds (distance) P-C4' energy: -176.088 flat angles C4'-P-C4' energy: -184.477 flat angles P-C4'-P energy: -108.312 tors. eta vs tors. theta energy: -223.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2714.034325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.034325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.034325 (E_RNA) where: Base-Base interactions energy: -1876.123 where: short stacking energy: -817.837 Base-Backbone interact. energy: -3.245 local terms energy: -834.666695 where: bonds (distance) C4'-P energy: -156.713 bonds (distance) P-C4' energy: -162.522 flat angles C4'-P-C4' energy: -179.376 flat angles P-C4'-P energy: -110.773 tors. eta vs tors. theta energy: -225.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2522.107596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.107596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.107596 (E_RNA) where: Base-Base interactions energy: -1717.515 where: short stacking energy: -756.441 Base-Backbone interact. energy: -3.620 local terms energy: -800.972726 where: bonds (distance) C4'-P energy: -117.785 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -189.867 flat angles P-C4'-P energy: -123.667 tors. eta vs tors. theta energy: -215.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2352.501148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.501148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.501148 (E_RNA) where: Base-Base interactions energy: -1624.313 where: short stacking energy: -697.151 Base-Backbone interact. energy: 5.906 local terms energy: -734.094036 where: bonds (distance) C4'-P energy: -131.911 bonds (distance) P-C4' energy: -149.771 flat angles C4'-P-C4' energy: -169.734 flat angles P-C4'-P energy: -96.877 tors. eta vs tors. theta energy: -185.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2206.637643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.637643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.637643 (E_RNA) where: Base-Base interactions energy: -1478.410 where: short stacking energy: -646.822 Base-Backbone interact. energy: 3.072 local terms energy: -731.299594 where: bonds (distance) C4'-P energy: -150.401 bonds (distance) P-C4' energy: -149.091 flat angles C4'-P-C4' energy: -168.162 flat angles P-C4'-P energy: -96.344 tors. eta vs tors. theta energy: -167.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1922.808576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.808576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.808576 (E_RNA) where: Base-Base interactions energy: -1279.746 where: short stacking energy: -541.405 Base-Backbone interact. energy: 0.472 local terms energy: -643.534790 where: bonds (distance) C4'-P energy: -134.378 bonds (distance) P-C4' energy: -140.965 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -96.867 tors. eta vs tors. theta energy: -128.014 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: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1262.239547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.239547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.239547 (E_RNA) where: Base-Base interactions energy: -801.491 where: short stacking energy: -357.900 Base-Backbone interact. energy: 1.062 local terms energy: -461.811237 where: bonds (distance) C4'-P energy: -114.773 bonds (distance) P-C4' energy: -110.065 flat angles C4'-P-C4' energy: -121.818 flat angles P-C4'-P energy: -89.945 tors. eta vs tors. theta energy: -25.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1055.154796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.154796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.154796 (E_RNA) where: Base-Base interactions energy: -597.405 where: short stacking energy: -301.066 Base-Backbone interact. energy: -1.475 local terms energy: -456.275346 where: bonds (distance) C4'-P energy: -131.326 bonds (distance) P-C4' energy: -105.420 flat angles C4'-P-C4' energy: -122.051 flat angles P-C4'-P energy: -76.684 tors. eta vs tors. theta energy: -20.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3062.430341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.430341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.430341 (E_RNA) where: Base-Base interactions energy: -2140.189 where: short stacking energy: -897.309 Base-Backbone interact. energy: -0.761 local terms energy: -921.479957 where: bonds (distance) C4'-P energy: -176.413 bonds (distance) P-C4' energy: -189.375 flat angles C4'-P-C4' energy: -181.484 flat angles P-C4'-P energy: -130.047 tors. eta vs tors. theta energy: -244.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2904.018495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.018495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.018495 (E_RNA) where: Base-Base interactions energy: -2036.272 where: short stacking energy: -874.204 Base-Backbone interact. energy: 3.688 local terms energy: -871.434425 where: bonds (distance) C4'-P energy: -154.578 bonds (distance) P-C4' energy: -159.651 flat angles C4'-P-C4' energy: -184.567 flat angles P-C4'-P energy: -127.283 tors. eta vs tors. theta energy: -245.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2738.747015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.747015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.747015 (E_RNA) where: Base-Base interactions energy: -1889.229 where: short stacking energy: -809.471 Base-Backbone interact. energy: 0.372 local terms energy: -849.890326 where: bonds (distance) C4'-P energy: -169.165 bonds (distance) P-C4' energy: -177.484 flat angles C4'-P-C4' energy: -164.858 flat angles P-C4'-P energy: -115.672 tors. eta vs tors. theta energy: -222.711 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: 4, replica: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2706.059627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.059627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.059627 (E_RNA) where: Base-Base interactions energy: -1874.272 where: short stacking energy: -820.964 Base-Backbone interact. energy: -4.022 local terms energy: -827.765787 where: bonds (distance) C4'-P energy: -152.093 bonds (distance) P-C4' energy: -153.878 flat angles C4'-P-C4' energy: -169.509 flat angles P-C4'-P energy: -123.783 tors. eta vs tors. theta energy: -228.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2472.532496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.532496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.532496 (E_RNA) where: Base-Base interactions energy: -1665.366 where: short stacking energy: -744.204 Base-Backbone interact. energy: -1.492 local terms energy: -805.674325 where: bonds (distance) C4'-P energy: -152.632 bonds (distance) P-C4' energy: -152.027 flat angles C4'-P-C4' energy: -166.166 flat angles P-C4'-P energy: -129.602 tors. eta vs tors. theta energy: -205.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2335.508793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.508793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.508793 (E_RNA) where: Base-Base interactions energy: -1613.229 where: short stacking energy: -685.757 Base-Backbone interact. energy: 1.025 local terms energy: -723.304704 where: bonds (distance) C4'-P energy: -146.185 bonds (distance) P-C4' energy: -147.660 flat angles C4'-P-C4' energy: -168.085 flat angles P-C4'-P energy: -81.733 tors. eta vs tors. theta energy: -179.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2194.975867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.975867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.975867 (E_RNA) where: Base-Base interactions energy: -1445.099 where: short stacking energy: -638.977 Base-Backbone interact. energy: -2.076 local terms energy: -747.800790 where: bonds (distance) C4'-P energy: -153.843 bonds (distance) P-C4' energy: -156.667 flat angles C4'-P-C4' energy: -168.856 flat angles P-C4'-P energy: -124.675 tors. eta vs tors. theta energy: -143.760 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: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1764.282832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.282832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.282832 (E_RNA) where: Base-Base interactions energy: -1134.551 where: short stacking energy: -505.457 Base-Backbone interact. energy: -1.324 local terms energy: -628.408194 where: bonds (distance) C4'-P energy: -125.693 bonds (distance) P-C4' energy: -144.880 flat angles C4'-P-C4' energy: -154.633 flat angles P-C4'-P energy: -110.361 tors. eta vs tors. theta energy: -92.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1254.922970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.922970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.922970 (E_RNA) where: Base-Base interactions energy: -749.660 where: short stacking energy: -360.264 Base-Backbone interact. energy: -1.875 local terms energy: -503.387623 where: bonds (distance) C4'-P energy: -128.223 bonds (distance) P-C4' energy: -150.928 flat angles C4'-P-C4' energy: -121.233 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -38.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1035.717125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.717125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.717125 (E_RNA) where: Base-Base interactions energy: -563.364 where: short stacking energy: -285.142 Base-Backbone interact. energy: -0.452 local terms energy: -471.901135 where: bonds (distance) C4'-P energy: -132.144 bonds (distance) P-C4' energy: -117.568 flat angles C4'-P-C4' energy: -119.559 flat angles P-C4'-P energy: -74.788 tors. eta vs tors. theta energy: -27.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3014.567161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.567161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.567161 (E_RNA) where: Base-Base interactions energy: -2128.572 where: short stacking energy: -874.130 Base-Backbone interact. energy: -2.250 local terms energy: -883.745841 where: bonds (distance) C4'-P energy: -173.718 bonds (distance) P-C4' energy: -174.497 flat angles C4'-P-C4' energy: -179.609 flat angles P-C4'-P energy: -120.458 tors. eta vs tors. theta energy: -235.463 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: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2948.126357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.126357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.126357 (E_RNA) where: Base-Base interactions energy: -2046.851 where: short stacking energy: -849.506 Base-Backbone interact. energy: -2.885 local terms energy: -898.390188 where: bonds (distance) C4'-P energy: -159.136 bonds (distance) P-C4' energy: -170.602 flat angles C4'-P-C4' energy: -184.936 flat angles P-C4'-P energy: -134.146 tors. eta vs tors. theta energy: -249.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2808.144980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.144980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.144980 (E_RNA) where: Base-Base interactions energy: -1987.481 where: short stacking energy: -880.262 Base-Backbone interact. energy: -2.020 local terms energy: -818.644417 where: bonds (distance) C4'-P energy: -140.578 bonds (distance) P-C4' energy: -142.341 flat angles C4'-P-C4' energy: -162.192 flat angles P-C4'-P energy: -125.904 tors. eta vs tors. theta energy: -247.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2640.731582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.731582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.731582 (E_RNA) where: Base-Base interactions energy: -1820.169 where: short stacking energy: -803.846 Base-Backbone interact. energy: -1.689 local terms energy: -818.874059 where: bonds (distance) C4'-P energy: -135.705 bonds (distance) P-C4' energy: -152.725 flat angles C4'-P-C4' energy: -180.572 flat angles P-C4'-P energy: -119.854 tors. eta vs tors. theta energy: -230.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2476.320792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.320792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.320792 (E_RNA) where: Base-Base interactions energy: -1664.843 where: short stacking energy: -736.051 Base-Backbone interact. energy: -0.133 local terms energy: -811.345220 where: bonds (distance) C4'-P energy: -157.515 bonds (distance) P-C4' energy: -149.694 flat angles C4'-P-C4' energy: -165.218 flat angles P-C4'-P energy: -126.887 tors. eta vs tors. theta energy: -212.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2391.496911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.496911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.496911 (E_RNA) where: Base-Base interactions energy: -1640.415 where: short stacking energy: -688.274 Base-Backbone interact. energy: -5.256 local terms energy: -745.825539 where: bonds (distance) C4'-P energy: -139.543 bonds (distance) P-C4' energy: -154.744 flat angles C4'-P-C4' energy: -170.480 flat angles P-C4'-P energy: -103.272 tors. eta vs tors. theta energy: -177.786 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: 9 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2212.902160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.902160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.902160 (E_RNA) where: Base-Base interactions energy: -1495.465 where: short stacking energy: -675.272 Base-Backbone interact. energy: 1.152 local terms energy: -718.589080 where: bonds (distance) C4'-P energy: -140.451 bonds (distance) P-C4' energy: -135.985 flat angles C4'-P-C4' energy: -171.401 flat angles P-C4'-P energy: -89.616 tors. eta vs tors. theta energy: -181.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1846.406583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.406583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.406583 (E_RNA) where: Base-Base interactions energy: -1202.829 where: short stacking energy: -541.038 Base-Backbone interact. energy: -0.702 local terms energy: -642.875084 where: bonds (distance) C4'-P energy: -148.146 bonds (distance) P-C4' energy: -137.397 flat angles C4'-P-C4' energy: -146.109 flat angles P-C4'-P energy: -100.891 tors. eta vs tors. theta energy: -110.332 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: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1370.590099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.590099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.590099 (E_RNA) where: Base-Base interactions energy: -835.935 where: short stacking energy: -410.886 Base-Backbone interact. energy: -0.987 local terms energy: -533.667645 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -137.345 flat angles C4'-P-C4' energy: -131.850 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: -67.559 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: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -984.676254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.676254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.676254 (E_RNA) where: Base-Base interactions energy: -555.018 where: short stacking energy: -311.807 Base-Backbone interact. energy: 2.779 local terms energy: -432.437146 where: bonds (distance) C4'-P energy: -114.881 bonds (distance) P-C4' energy: -114.687 flat angles C4'-P-C4' energy: -115.307 flat angles P-C4'-P energy: -70.305 tors. eta vs tors. theta energy: -17.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3029.655608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.655608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.655608 (E_RNA) where: Base-Base interactions energy: -2141.984 where: short stacking energy: -904.369 Base-Backbone interact. energy: -0.955 local terms energy: -886.717109 where: bonds (distance) C4'-P energy: -155.598 bonds (distance) P-C4' energy: -167.544 flat angles C4'-P-C4' energy: -191.433 flat angles P-C4'-P energy: -123.462 tors. eta vs tors. theta energy: -248.680 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: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2895.732854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.732854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.732854 (E_RNA) where: Base-Base interactions energy: -2046.329 where: short stacking energy: -854.800 Base-Backbone interact. energy: -4.981 local terms energy: -844.422841 where: bonds (distance) C4'-P energy: -143.432 bonds (distance) P-C4' energy: -163.730 flat angles C4'-P-C4' energy: -185.161 flat angles P-C4'-P energy: -117.114 tors. eta vs tors. theta energy: -234.986 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: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2798.191792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.191792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.191792 (E_RNA) where: Base-Base interactions energy: -1931.452 where: short stacking energy: -839.018 Base-Backbone interact. energy: -5.317 local terms energy: -861.422929 where: bonds (distance) C4'-P energy: -161.485 bonds (distance) P-C4' energy: -165.323 flat angles C4'-P-C4' energy: -181.027 flat angles P-C4'-P energy: -112.032 tors. eta vs tors. theta energy: -241.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2672.227333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.227333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.227333 (E_RNA) where: Base-Base interactions energy: -1868.356 where: short stacking energy: -812.719 Base-Backbone interact. energy: -0.341 local terms energy: -803.530430 where: bonds (distance) C4'-P energy: -146.737 bonds (distance) P-C4' energy: -159.058 flat angles C4'-P-C4' energy: -178.443 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -222.414 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: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2510.559256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.559256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.559256 (E_RNA) where: Base-Base interactions energy: -1700.829 where: short stacking energy: -716.401 Base-Backbone interact. energy: -2.448 local terms energy: -807.282287 where: bonds (distance) C4'-P energy: -141.371 bonds (distance) P-C4' energy: -162.972 flat angles C4'-P-C4' energy: -184.273 flat angles P-C4'-P energy: -114.533 tors. eta vs tors. theta energy: -204.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2393.512069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.512069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.512069 (E_RNA) where: Base-Base interactions energy: -1638.280 where: short stacking energy: -700.946 Base-Backbone interact. energy: -2.814 local terms energy: -752.418255 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -157.013 flat angles C4'-P-C4' energy: -163.838 flat angles P-C4'-P energy: -110.731 tors. eta vs tors. theta energy: -189.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2138.959393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.959393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.959393 (E_RNA) where: Base-Base interactions energy: -1445.156 where: short stacking energy: -641.974 Base-Backbone interact. energy: 3.211 local terms energy: -697.014664 where: bonds (distance) C4'-P energy: -154.055 bonds (distance) P-C4' energy: -143.079 flat angles C4'-P-C4' energy: -137.738 flat angles P-C4'-P energy: -106.277 tors. eta vs tors. theta energy: -155.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1883.707857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.707857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.707857 (E_RNA) where: Base-Base interactions energy: -1265.444 where: short stacking energy: -576.891 Base-Backbone interact. energy: 8.469 local terms energy: -626.732442 where: bonds (distance) C4'-P energy: -129.927 bonds (distance) P-C4' energy: -121.474 flat angles C4'-P-C4' energy: -152.662 flat angles P-C4'-P energy: -81.009 tors. eta vs tors. theta energy: -141.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1447.344840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.344840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.344840 (E_RNA) where: Base-Base interactions energy: -900.426 where: short stacking energy: -435.153 Base-Backbone interact. energy: 7.222 local terms energy: -554.140024 where: bonds (distance) C4'-P energy: -150.130 bonds (distance) P-C4' energy: -130.378 flat angles C4'-P-C4' energy: -125.342 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: -71.412 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: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1084.547690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.547690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.547690 (E_RNA) where: Base-Base interactions energy: -628.802 where: short stacking energy: -325.750 Base-Backbone interact. energy: 5.117 local terms energy: -460.862000 where: bonds (distance) C4'-P energy: -133.781 bonds (distance) P-C4' energy: -117.961 flat angles C4'-P-C4' energy: -131.052 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -14.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3087.092014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.092014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.092014 (E_RNA) where: Base-Base interactions energy: -2147.842 where: short stacking energy: -900.423 Base-Backbone interact. energy: 0.066 local terms energy: -939.316110 where: bonds (distance) C4'-P energy: -177.005 bonds (distance) P-C4' energy: -182.648 flat angles C4'-P-C4' energy: -200.150 flat angles P-C4'-P energy: -126.014 tors. eta vs tors. theta energy: -253.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2941.094387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.094387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.094387 (E_RNA) where: Base-Base interactions energy: -2061.547 where: short stacking energy: -866.940 Base-Backbone interact. energy: -3.793 local terms energy: -875.754597 where: bonds (distance) C4'-P energy: -159.554 bonds (distance) P-C4' energy: -167.524 flat angles C4'-P-C4' energy: -184.641 flat angles P-C4'-P energy: -114.620 tors. eta vs tors. theta energy: -249.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2880.891347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.891347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.891347 (E_RNA) where: Base-Base interactions energy: -2001.145 where: short stacking energy: -870.618 Base-Backbone interact. energy: -4.435 local terms energy: -875.311360 where: bonds (distance) C4'-P energy: -149.703 bonds (distance) P-C4' energy: -162.469 flat angles C4'-P-C4' energy: -189.658 flat angles P-C4'-P energy: -124.047 tors. eta vs tors. theta energy: -249.434 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: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2679.217951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.217951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.217951 (E_RNA) where: Base-Base interactions energy: -1873.584 where: short stacking energy: -831.181 Base-Backbone interact. energy: 0.850 local terms energy: -806.483883 where: bonds (distance) C4'-P energy: -145.335 bonds (distance) P-C4' energy: -152.204 flat angles C4'-P-C4' energy: -181.909 flat angles P-C4'-P energy: -100.791 tors. eta vs tors. theta energy: -226.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2512.743050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.743050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.743050 (E_RNA) where: Base-Base interactions energy: -1712.084 where: short stacking energy: -743.112 Base-Backbone interact. energy: 0.472 local terms energy: -801.131328 where: bonds (distance) C4'-P energy: -168.326 bonds (distance) P-C4' energy: -147.469 flat angles C4'-P-C4' energy: -173.212 flat angles P-C4'-P energy: -110.233 tors. eta vs tors. theta energy: -201.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2396.980168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.980168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.980168 (E_RNA) where: Base-Base interactions energy: -1658.600 where: short stacking energy: -726.374 Base-Backbone interact. energy: 2.742 local terms energy: -741.122015 where: bonds (distance) C4'-P energy: -132.897 bonds (distance) P-C4' energy: -158.275 flat angles C4'-P-C4' energy: -158.061 flat angles P-C4'-P energy: -101.036 tors. eta vs tors. theta energy: -190.854 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: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2127.021142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.021142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.021142 (E_RNA) where: Base-Base interactions energy: -1455.725 where: short stacking energy: -600.699 Base-Backbone interact. energy: -1.842 local terms energy: -669.454913 where: bonds (distance) C4'-P energy: -137.063 bonds (distance) P-C4' energy: -132.720 flat angles C4'-P-C4' energy: -152.764 flat angles P-C4'-P energy: -104.420 tors. eta vs tors. theta energy: -142.487 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: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1833.615310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.615310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.615310 (E_RNA) where: Base-Base interactions energy: -1197.582 where: short stacking energy: -534.841 Base-Backbone interact. energy: -2.335 local terms energy: -633.697709 where: bonds (distance) C4'-P energy: -143.370 bonds (distance) P-C4' energy: -134.944 flat angles C4'-P-C4' energy: -148.641 flat angles P-C4'-P energy: -87.257 tors. eta vs tors. theta energy: -119.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1453.223756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.223756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.223756 (E_RNA) where: Base-Base interactions energy: -909.574 where: short stacking energy: -461.953 Base-Backbone interact. energy: 1.968 local terms energy: -545.617527 where: bonds (distance) C4'-P energy: -134.106 bonds (distance) P-C4' energy: -129.906 flat angles C4'-P-C4' energy: -127.053 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -74.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1138.230912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.230912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.230912 (E_RNA) where: Base-Base interactions energy: -675.835 where: short stacking energy: -330.704 Base-Backbone interact. energy: 1.792 local terms energy: -464.187736 where: bonds (distance) C4'-P energy: -137.946 bonds (distance) P-C4' energy: -133.010 flat angles C4'-P-C4' energy: -118.541 flat angles P-C4'-P energy: -64.155 tors. eta vs tors. theta energy: -10.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3041.668420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.668420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.668420 (E_RNA) where: Base-Base interactions energy: -2111.475 where: short stacking energy: -898.183 Base-Backbone interact. energy: 0.025 local terms energy: -930.217911 where: bonds (distance) C4'-P energy: -176.850 bonds (distance) P-C4' energy: -191.302 flat angles C4'-P-C4' energy: -190.900 flat angles P-C4'-P energy: -130.682 tors. eta vs tors. theta energy: -240.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2925.882679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.882679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.882679 (E_RNA) where: Base-Base interactions energy: -2048.511 where: short stacking energy: -882.935 Base-Backbone interact. energy: -2.316 local terms energy: -875.054953 where: bonds (distance) C4'-P energy: -146.845 bonds (distance) P-C4' energy: -175.677 flat angles C4'-P-C4' energy: -184.013 flat angles P-C4'-P energy: -130.920 tors. eta vs tors. theta energy: -237.601 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: 331 Temperature: 1.000000 Total energy: -2797.244254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.244254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.244254 (E_RNA) where: Base-Base interactions energy: -1938.229 where: short stacking energy: -853.503 Base-Backbone interact. energy: -6.245 local terms energy: -852.770332 where: bonds (distance) C4'-P energy: -153.291 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -180.451 flat angles P-C4'-P energy: -115.622 tors. eta vs tors. theta energy: -251.026 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: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2668.610410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.610410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.610410 (E_RNA) where: Base-Base interactions energy: -1863.586 where: short stacking energy: -792.306 Base-Backbone interact. energy: -2.641 local terms energy: -802.384020 where: bonds (distance) C4'-P energy: -153.110 bonds (distance) P-C4' energy: -156.157 flat angles C4'-P-C4' energy: -178.369 flat angles P-C4'-P energy: -110.820 tors. eta vs tors. theta energy: -203.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2528.489552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.489552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.489552 (E_RNA) where: Base-Base interactions energy: -1749.965 where: short stacking energy: -754.899 Base-Backbone interact. energy: -3.760 local terms energy: -774.764760 where: bonds (distance) C4'-P energy: -140.707 bonds (distance) P-C4' energy: -150.981 flat angles C4'-P-C4' energy: -165.221 flat angles P-C4'-P energy: -112.325 tors. eta vs tors. theta energy: -205.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2378.630691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.630691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.630691 (E_RNA) where: Base-Base interactions energy: -1648.320 where: short stacking energy: -676.887 Base-Backbone interact. energy: 1.010 local terms energy: -731.321107 where: bonds (distance) C4'-P energy: -137.212 bonds (distance) P-C4' energy: -145.558 flat angles C4'-P-C4' energy: -167.161 flat angles P-C4'-P energy: -103.802 tors. eta vs tors. theta energy: -177.588 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: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2093.609987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.609987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.609987 (E_RNA) where: Base-Base interactions energy: -1398.632 where: short stacking energy: -615.284 Base-Backbone interact. energy: -3.301 local terms energy: -691.677032 where: bonds (distance) C4'-P energy: -140.111 bonds (distance) P-C4' energy: -151.956 flat angles C4'-P-C4' energy: -167.636 flat angles P-C4'-P energy: -99.326 tors. eta vs tors. theta energy: -132.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1954.099804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.099804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.099804 (E_RNA) where: Base-Base interactions energy: -1288.895 where: short stacking energy: -586.828 Base-Backbone interact. energy: -1.761 local terms energy: -663.443126 where: bonds (distance) C4'-P energy: -141.625 bonds (distance) P-C4' energy: -131.288 flat angles C4'-P-C4' energy: -143.893 flat angles P-C4'-P energy: -111.018 tors. eta vs tors. theta energy: -135.618 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: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1461.281698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.281698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.281698 (E_RNA) where: Base-Base interactions energy: -909.647 where: short stacking energy: -444.016 Base-Backbone interact. energy: -2.161 local terms energy: -549.473558 where: bonds (distance) C4'-P energy: -131.230 bonds (distance) P-C4' energy: -122.877 flat angles C4'-P-C4' energy: -139.306 flat angles P-C4'-P energy: -83.552 tors. eta vs tors. theta energy: -72.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1077.205551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.205551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.205551 (E_RNA) where: Base-Base interactions energy: -580.527 where: short stacking energy: -303.974 Base-Backbone interact. energy: 2.970 local terms energy: -499.648521 where: bonds (distance) C4'-P energy: -134.666 bonds (distance) P-C4' energy: -133.905 flat angles C4'-P-C4' energy: -114.223 flat angles P-C4'-P energy: -77.777 tors. eta vs tors. theta energy: -39.076 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: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3042.323565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.323565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.323565 (E_RNA) where: Base-Base interactions energy: -2124.798 where: short stacking energy: -904.958 Base-Backbone interact. energy: 5.788 local terms energy: -923.313567 where: bonds (distance) C4'-P energy: -169.460 bonds (distance) P-C4' energy: -183.252 flat angles C4'-P-C4' energy: -193.125 flat angles P-C4'-P energy: -126.129 tors. eta vs tors. theta energy: -251.346 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: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2966.190920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.190920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.190920 (E_RNA) where: Base-Base interactions energy: -2088.543 where: short stacking energy: -882.062 Base-Backbone interact. energy: -4.732 local terms energy: -872.916164 where: bonds (distance) C4'-P energy: -157.289 bonds (distance) P-C4' energy: -161.737 flat angles C4'-P-C4' energy: -184.130 flat angles P-C4'-P energy: -135.207 tors. eta vs tors. theta energy: -234.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2868.895506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.895506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.895506 (E_RNA) where: Base-Base interactions energy: -1966.537 where: short stacking energy: -891.986 Base-Backbone interact. energy: -0.370 local terms energy: -901.988910 where: bonds (distance) C4'-P energy: -172.128 bonds (distance) P-C4' energy: -177.491 flat angles C4'-P-C4' energy: -177.015 flat angles P-C4'-P energy: -118.132 tors. eta vs tors. theta energy: -257.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2681.058690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.058690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.058690 (E_RNA) where: Base-Base interactions energy: -1871.947 where: short stacking energy: -822.125 Base-Backbone interact. energy: 0.107 local terms energy: -809.218792 where: bonds (distance) C4'-P energy: -155.099 bonds (distance) P-C4' energy: -163.935 flat angles C4'-P-C4' energy: -156.071 flat angles P-C4'-P energy: -114.364 tors. eta vs tors. theta energy: -219.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2550.055987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.055987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.055987 (E_RNA) where: Base-Base interactions energy: -1788.955 where: short stacking energy: -760.857 Base-Backbone interact. energy: 0.585 local terms energy: -761.685956 where: bonds (distance) C4'-P energy: -128.636 bonds (distance) P-C4' energy: -151.965 flat angles C4'-P-C4' energy: -177.888 flat angles P-C4'-P energy: -93.876 tors. eta vs tors. theta energy: -209.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2399.274941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.274941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.274941 (E_RNA) where: Base-Base interactions energy: -1640.887 where: short stacking energy: -688.537 Base-Backbone interact. energy: -5.258 local terms energy: -753.129452 where: bonds (distance) C4'-P energy: -134.397 bonds (distance) P-C4' energy: -170.460 flat angles C4'-P-C4' energy: -170.197 flat angles P-C4'-P energy: -106.465 tors. eta vs tors. theta energy: -171.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2099.030800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.030800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.030800 (E_RNA) where: Base-Base interactions energy: -1448.448 where: short stacking energy: -619.663 Base-Backbone interact. energy: -4.232 local terms energy: -646.350948 where: bonds (distance) C4'-P energy: -144.016 bonds (distance) P-C4' energy: -128.273 flat angles C4'-P-C4' energy: -150.503 flat angles P-C4'-P energy: -80.871 tors. eta vs tors. theta energy: -142.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1984.997397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.997397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.997397 (E_RNA) where: Base-Base interactions energy: -1339.982 where: short stacking energy: -581.691 Base-Backbone interact. energy: 0.702 local terms energy: -645.717537 where: bonds (distance) C4'-P energy: -123.548 bonds (distance) P-C4' energy: -143.729 flat angles C4'-P-C4' energy: -158.700 flat angles P-C4'-P energy: -86.292 tors. eta vs tors. theta energy: -133.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1455.974375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.974375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.974375 (E_RNA) where: Base-Base interactions energy: -902.461 where: short stacking energy: -443.808 Base-Backbone interact. energy: 2.163 local terms energy: -555.676487 where: bonds (distance) C4'-P energy: -125.381 bonds (distance) P-C4' energy: -142.970 flat angles C4'-P-C4' energy: -135.465 flat angles P-C4'-P energy: -83.463 tors. eta vs tors. theta energy: -68.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1103.606633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.606633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.606633 (E_RNA) where: Base-Base interactions energy: -623.813 where: short stacking energy: -319.348 Base-Backbone interact. energy: 2.737 local terms energy: -482.531048 where: bonds (distance) C4'-P energy: -132.985 bonds (distance) P-C4' energy: -131.624 flat angles C4'-P-C4' energy: -126.295 flat angles P-C4'-P energy: -65.029 tors. eta vs tors. theta energy: -26.598 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3034.907550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.907550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.907550 (E_RNA) where: Base-Base interactions energy: -2120.826 where: short stacking energy: -889.719 Base-Backbone interact. energy: -6.354 local terms energy: -907.728115 where: bonds (distance) C4'-P energy: -168.131 bonds (distance) P-C4' energy: -160.727 flat angles C4'-P-C4' energy: -192.578 flat angles P-C4'-P energy: -139.140 tors. eta vs tors. theta energy: -247.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2928.449327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.449327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.449327 (E_RNA) where: Base-Base interactions energy: -2009.287 where: short stacking energy: -842.192 Base-Backbone interact. energy: -6.201 local terms energy: -912.961244 where: bonds (distance) C4'-P energy: -155.522 bonds (distance) P-C4' energy: -180.708 flat angles C4'-P-C4' energy: -200.162 flat angles P-C4'-P energy: -130.613 tors. eta vs tors. theta energy: -245.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2836.012173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.012173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.012173 (E_RNA) where: Base-Base interactions energy: -1951.096 where: short stacking energy: -854.270 Base-Backbone interact. energy: -1.688 local terms energy: -883.228028 where: bonds (distance) C4'-P energy: -169.132 bonds (distance) P-C4' energy: -172.108 flat angles C4'-P-C4' energy: -189.192 flat angles P-C4'-P energy: -116.979 tors. eta vs tors. theta energy: -235.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2671.143841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.143841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.143841 (E_RNA) where: Base-Base interactions energy: -1878.060 where: short stacking energy: -809.680 Base-Backbone interact. energy: -1.977 local terms energy: -791.106194 where: bonds (distance) C4'-P energy: -137.476 bonds (distance) P-C4' energy: -152.456 flat angles C4'-P-C4' energy: -176.428 flat angles P-C4'-P energy: -95.151 tors. eta vs tors. theta energy: -229.596 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: 5, replica: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2494.822851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.822851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.822851 (E_RNA) where: Base-Base interactions energy: -1743.520 where: short stacking energy: -725.666 Base-Backbone interact. energy: -5.457 local terms energy: -745.846226 where: bonds (distance) C4'-P energy: -138.459 bonds (distance) P-C4' energy: -159.529 flat angles C4'-P-C4' energy: -169.430 flat angles P-C4'-P energy: -91.765 tors. eta vs tors. theta energy: -186.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2456.112784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.112784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.112784 (E_RNA) where: Base-Base interactions energy: -1697.559 where: short stacking energy: -742.871 Base-Backbone interact. energy: -3.208 local terms energy: -755.346057 where: bonds (distance) C4'-P energy: -129.740 bonds (distance) P-C4' energy: -145.679 flat angles C4'-P-C4' energy: -168.561 flat angles P-C4'-P energy: -111.349 tors. eta vs tors. theta energy: -200.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2125.914116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.914116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.914116 (E_RNA) where: Base-Base interactions energy: -1435.211 where: short stacking energy: -633.804 Base-Backbone interact. energy: 0.712 local terms energy: -691.414708 where: bonds (distance) C4'-P energy: -145.131 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -149.014 flat angles P-C4'-P energy: -107.577 tors. eta vs tors. theta energy: -160.622 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: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1991.548594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.548594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.548594 (E_RNA) where: Base-Base interactions energy: -1377.186 where: short stacking energy: -593.987 Base-Backbone interact. energy: 1.840 local terms energy: -616.203522 where: bonds (distance) C4'-P energy: -118.126 bonds (distance) P-C4' energy: -128.432 flat angles C4'-P-C4' energy: -143.457 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -133.546 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: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1472.370890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.370890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.370890 (E_RNA) where: Base-Base interactions energy: -924.898 where: short stacking energy: -421.856 Base-Backbone interact. energy: 2.323 local terms energy: -549.796504 where: bonds (distance) C4'-P energy: -123.019 bonds (distance) P-C4' energy: -143.334 flat angles C4'-P-C4' energy: -118.778 flat angles P-C4'-P energy: -88.301 tors. eta vs tors. theta energy: -76.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1085.412589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.412589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.412589 (E_RNA) where: Base-Base interactions energy: -605.505 where: short stacking energy: -285.757 Base-Backbone interact. energy: 4.131 local terms energy: -484.038697 where: bonds (distance) C4'-P energy: -127.228 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -133.632 flat angles P-C4'-P energy: -75.471 tors. eta vs tors. theta energy: -14.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3058.302005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.302005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.302005 (E_RNA) where: Base-Base interactions energy: -2138.733 where: short stacking energy: -898.151 Base-Backbone interact. energy: -4.539 local terms energy: -915.030256 where: bonds (distance) C4'-P energy: -180.439 bonds (distance) P-C4' energy: -168.695 flat angles C4'-P-C4' energy: -196.291 flat angles P-C4'-P energy: -117.107 tors. eta vs tors. theta energy: -252.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2944.467042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.467042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.467042 (E_RNA) where: Base-Base interactions energy: -2064.313 where: short stacking energy: -895.003 Base-Backbone interact. energy: -4.089 local terms energy: -876.064369 where: bonds (distance) C4'-P energy: -153.161 bonds (distance) P-C4' energy: -161.426 flat angles C4'-P-C4' energy: -196.823 flat angles P-C4'-P energy: -115.258 tors. eta vs tors. theta energy: -249.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2828.538867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.538867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.538867 (E_RNA) where: Base-Base interactions energy: -1952.196 where: short stacking energy: -853.607 Base-Backbone interact. energy: -1.091 local terms energy: -875.251346 where: bonds (distance) C4'-P energy: -147.548 bonds (distance) P-C4' energy: -169.941 flat angles C4'-P-C4' energy: -194.251 flat angles P-C4'-P energy: -122.705 tors. eta vs tors. theta energy: -240.806 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: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2683.682713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.682713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.682713 (E_RNA) where: Base-Base interactions energy: -1872.757 where: short stacking energy: -795.522 Base-Backbone interact. energy: -1.791 local terms energy: -809.134949 where: bonds (distance) C4'-P energy: -154.973 bonds (distance) P-C4' energy: -136.931 flat angles C4'-P-C4' energy: -176.060 flat angles P-C4'-P energy: -122.189 tors. eta vs tors. theta energy: -218.982 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: 1 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2467.255880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.255880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.255880 (E_RNA) where: Base-Base interactions energy: -1667.618 where: short stacking energy: -748.437 Base-Backbone interact. energy: -4.753 local terms energy: -794.885193 where: bonds (distance) C4'-P energy: -161.554 bonds (distance) P-C4' energy: -162.210 flat angles C4'-P-C4' energy: -172.516 flat angles P-C4'-P energy: -96.439 tors. eta vs tors. theta energy: -202.167 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: 6, replica: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2408.443134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.443134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.443134 (E_RNA) where: Base-Base interactions energy: -1634.005 where: short stacking energy: -716.715 Base-Backbone interact. energy: -3.333 local terms energy: -771.105863 where: bonds (distance) C4'-P energy: -142.943 bonds (distance) P-C4' energy: -159.562 flat angles C4'-P-C4' energy: -178.019 flat angles P-C4'-P energy: -101.205 tors. eta vs tors. theta energy: -189.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2123.403139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.403139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.403139 (E_RNA) where: Base-Base interactions energy: -1430.127 where: short stacking energy: -599.750 Base-Backbone interact. energy: -5.889 local terms energy: -687.387558 where: bonds (distance) C4'-P energy: -127.519 bonds (distance) P-C4' energy: -157.185 flat angles C4'-P-C4' energy: -162.444 flat angles P-C4'-P energy: -101.745 tors. eta vs tors. theta energy: -138.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -2049.630110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.630110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.630110 (E_RNA) where: Base-Base interactions energy: -1382.923 where: short stacking energy: -593.575 Base-Backbone interact. energy: 1.135 local terms energy: -667.841434 where: bonds (distance) C4'-P energy: -129.375 bonds (distance) P-C4' energy: -152.742 flat angles C4'-P-C4' energy: -147.306 flat angles P-C4'-P energy: -99.749 tors. eta vs tors. theta energy: -138.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1432.409475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.409475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.409475 (E_RNA) where: Base-Base interactions energy: -892.148 where: short stacking energy: -426.187 Base-Backbone interact. energy: -5.141 local terms energy: -535.120142 where: bonds (distance) C4'-P energy: -121.362 bonds (distance) P-C4' energy: -131.086 flat angles C4'-P-C4' energy: -137.823 flat angles P-C4'-P energy: -84.634 tors. eta vs tors. theta energy: -60.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1112.563767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.563767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.563767 (E_RNA) where: Base-Base interactions energy: -649.671 where: short stacking energy: -337.182 Base-Backbone interact. energy: -3.562 local terms energy: -459.330362 where: bonds (distance) C4'-P energy: -113.175 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -117.617 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: -26.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3035.149017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.149017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.149017 (E_RNA) where: Base-Base interactions energy: -2139.082 where: short stacking energy: -881.819 Base-Backbone interact. energy: -2.566 local terms energy: -893.501012 where: bonds (distance) C4'-P energy: -171.774 bonds (distance) P-C4' energy: -160.728 flat angles C4'-P-C4' energy: -188.451 flat angles P-C4'-P energy: -124.203 tors. eta vs tors. theta energy: -248.345 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: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2934.252442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.252442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.252442 (E_RNA) where: Base-Base interactions energy: -2040.753 where: short stacking energy: -869.803 Base-Backbone interact. energy: -3.952 local terms energy: -889.547074 where: bonds (distance) C4'-P energy: -165.646 bonds (distance) P-C4' energy: -162.746 flat angles C4'-P-C4' energy: -189.488 flat angles P-C4'-P energy: -119.192 tors. eta vs tors. theta energy: -252.474 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: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2838.295001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.295001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.295001 (E_RNA) where: Base-Base interactions energy: -1976.367 where: short stacking energy: -842.365 Base-Backbone interact. energy: -2.505 local terms energy: -859.423446 where: bonds (distance) C4'-P energy: -156.865 bonds (distance) P-C4' energy: -151.178 flat angles C4'-P-C4' energy: -188.841 flat angles P-C4'-P energy: -112.034 tors. eta vs tors. theta energy: -250.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2656.176081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.176081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.176081 (E_RNA) where: Base-Base interactions energy: -1841.953 where: short stacking energy: -782.398 Base-Backbone interact. energy: -2.377 local terms energy: -811.846188 where: bonds (distance) C4'-P energy: -162.035 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -172.431 flat angles P-C4'-P energy: -105.590 tors. eta vs tors. theta energy: -211.641 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: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2499.384541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.384541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.384541 (E_RNA) where: Base-Base interactions energy: -1716.741 where: short stacking energy: -733.511 Base-Backbone interact. energy: -0.297 local terms energy: -782.346292 where: bonds (distance) C4'-P energy: -141.267 bonds (distance) P-C4' energy: -156.548 flat angles C4'-P-C4' energy: -190.254 flat angles P-C4'-P energy: -106.288 tors. eta vs tors. theta energy: -187.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2351.736572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.736572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.736572 (E_RNA) where: Base-Base interactions energy: -1624.037 where: short stacking energy: -705.168 Base-Backbone interact. energy: 0.763 local terms energy: -728.462029 where: bonds (distance) C4'-P energy: -144.721 bonds (distance) P-C4' energy: -140.048 flat angles C4'-P-C4' energy: -153.342 flat angles P-C4'-P energy: -112.817 tors. eta vs tors. theta energy: -177.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2108.498367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.498367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.498367 (E_RNA) where: Base-Base interactions energy: -1468.907 where: short stacking energy: -621.550 Base-Backbone interact. energy: 1.632 local terms energy: -641.223536 where: bonds (distance) C4'-P energy: -121.295 bonds (distance) P-C4' energy: -148.307 flat angles C4'-P-C4' energy: -141.482 flat angles P-C4'-P energy: -97.277 tors. eta vs tors. theta energy: -132.863 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: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1927.302524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.302524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.302524 (E_RNA) where: Base-Base interactions energy: -1280.578 where: short stacking energy: -562.611 Base-Backbone interact. energy: -3.002 local terms energy: -643.723071 where: bonds (distance) C4'-P energy: -143.190 bonds (distance) P-C4' energy: -143.826 flat angles C4'-P-C4' energy: -130.523 flat angles P-C4'-P energy: -82.162 tors. eta vs tors. theta energy: -144.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1447.547332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.547332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.547332 (E_RNA) where: Base-Base interactions energy: -902.286 where: short stacking energy: -426.970 Base-Backbone interact. energy: 2.007 local terms energy: -547.268231 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -153.724 flat angles C4'-P-C4' energy: -141.181 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -72.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1106.083369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.083369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.083369 (E_RNA) where: Base-Base interactions energy: -630.773 where: short stacking energy: -300.252 Base-Backbone interact. energy: 2.930 local terms energy: -478.240136 where: bonds (distance) C4'-P energy: -141.408 bonds (distance) P-C4' energy: -138.650 flat angles C4'-P-C4' energy: -120.760 flat angles P-C4'-P energy: -71.727 tors. eta vs tors. theta energy: -5.694 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: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3052.913739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.913739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.913739 (E_RNA) where: Base-Base interactions energy: -2160.459 where: short stacking energy: -891.054 Base-Backbone interact. energy: -0.193 local terms energy: -892.261512 where: bonds (distance) C4'-P energy: -164.961 bonds (distance) P-C4' energy: -163.849 flat angles C4'-P-C4' energy: -193.265 flat angles P-C4'-P energy: -117.931 tors. eta vs tors. theta energy: -252.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2937.939011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.939011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.939011 (E_RNA) where: Base-Base interactions energy: -2048.657 where: short stacking energy: -859.872 Base-Backbone interact. energy: -1.350 local terms energy: -887.932264 where: bonds (distance) C4'-P energy: -177.977 bonds (distance) P-C4' energy: -161.520 flat angles C4'-P-C4' energy: -191.124 flat angles P-C4'-P energy: -120.566 tors. eta vs tors. theta energy: -236.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2809.319028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.319028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.319028 (E_RNA) where: Base-Base interactions energy: -1936.734 where: short stacking energy: -861.583 Base-Backbone interact. energy: -3.333 local terms energy: -869.252199 where: bonds (distance) C4'-P energy: -153.528 bonds (distance) P-C4' energy: -159.532 flat angles C4'-P-C4' energy: -172.793 flat angles P-C4'-P energy: -128.461 tors. eta vs tors. theta energy: -254.939 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: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2633.348013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.348013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.348013 (E_RNA) where: Base-Base interactions energy: -1806.580 where: short stacking energy: -768.149 Base-Backbone interact. energy: -2.639 local terms energy: -824.128247 where: bonds (distance) C4'-P energy: -152.527 bonds (distance) P-C4' energy: -156.231 flat angles C4'-P-C4' energy: -184.243 flat angles P-C4'-P energy: -118.188 tors. eta vs tors. theta energy: -212.939 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: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2504.063259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.063259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.063259 (E_RNA) where: Base-Base interactions energy: -1689.494 where: short stacking energy: -740.659 Base-Backbone interact. energy: -1.263 local terms energy: -813.306986 where: bonds (distance) C4'-P energy: -137.710 bonds (distance) P-C4' energy: -166.981 flat angles C4'-P-C4' energy: -169.961 flat angles P-C4'-P energy: -118.272 tors. eta vs tors. theta energy: -220.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2436.612177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.612177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.612177 (E_RNA) where: Base-Base interactions energy: -1673.962 where: short stacking energy: -722.125 Base-Backbone interact. energy: -3.634 local terms energy: -759.015869 where: bonds (distance) C4'-P energy: -152.007 bonds (distance) P-C4' energy: -158.920 flat angles C4'-P-C4' energy: -165.583 flat angles P-C4'-P energy: -93.405 tors. eta vs tors. theta energy: -189.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2094.818399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.818399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.818399 (E_RNA) where: Base-Base interactions energy: -1449.760 where: short stacking energy: -603.200 Base-Backbone interact. energy: -2.219 local terms energy: -642.838933 where: bonds (distance) C4'-P energy: -115.913 bonds (distance) P-C4' energy: -133.472 flat angles C4'-P-C4' energy: -150.743 flat angles P-C4'-P energy: -111.771 tors. eta vs tors. theta energy: -130.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1923.298605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.298605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.298605 (E_RNA) where: Base-Base interactions energy: -1292.102 where: short stacking energy: -573.066 Base-Backbone interact. energy: -1.980 local terms energy: -629.216935 where: bonds (distance) C4'-P energy: -125.458 bonds (distance) P-C4' energy: -146.972 flat angles C4'-P-C4' energy: -134.005 flat angles P-C4'-P energy: -89.711 tors. eta vs tors. theta energy: -133.071 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: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1348.266104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.266104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.266104 (E_RNA) where: Base-Base interactions energy: -860.375 where: short stacking energy: -384.701 Base-Backbone interact. energy: -0.643 local terms energy: -487.248359 where: bonds (distance) C4'-P energy: -133.547 bonds (distance) P-C4' energy: -144.770 flat angles C4'-P-C4' energy: -103.898 flat angles P-C4'-P energy: -76.818 tors. eta vs tors. theta energy: -28.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1074.088878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.088878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.088878 (E_RNA) where: Base-Base interactions energy: -605.746 where: short stacking energy: -321.935 Base-Backbone interact. energy: -1.164 local terms energy: -467.178436 where: bonds (distance) C4'-P energy: -147.388 bonds (distance) P-C4' energy: -120.344 flat angles C4'-P-C4' energy: -141.797 flat angles P-C4'-P energy: -58.364 tors. eta vs tors. theta energy: 0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3039.616981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.616981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.616981 (E_RNA) where: Base-Base interactions energy: -2102.861 where: short stacking energy: -866.574 Base-Backbone interact. energy: -3.402 local terms energy: -933.353481 where: bonds (distance) C4'-P energy: -153.348 bonds (distance) P-C4' energy: -191.293 flat angles C4'-P-C4' energy: -190.690 flat angles P-C4'-P energy: -144.988 tors. eta vs tors. theta energy: -253.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2935.191985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.191985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.191985 (E_RNA) where: Base-Base interactions energy: -2073.135 where: short stacking energy: -857.849 Base-Backbone interact. energy: 1.778 local terms energy: -863.835841 where: bonds (distance) C4'-P energy: -156.499 bonds (distance) P-C4' energy: -157.440 flat angles C4'-P-C4' energy: -185.700 flat angles P-C4'-P energy: -124.709 tors. eta vs tors. theta energy: -239.488 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: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2837.077149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.077149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.077149 (E_RNA) where: Base-Base interactions energy: -1941.918 where: short stacking energy: -863.236 Base-Backbone interact. energy: -2.590 local terms energy: -892.569298 where: bonds (distance) C4'-P energy: -157.358 bonds (distance) P-C4' energy: -174.315 flat angles C4'-P-C4' energy: -186.038 flat angles P-C4'-P energy: -116.983 tors. eta vs tors. theta energy: -257.875 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: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2665.911485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.911485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.911485 (E_RNA) where: Base-Base interactions energy: -1833.686 where: short stacking energy: -791.299 Base-Backbone interact. energy: -0.764 local terms energy: -831.461086 where: bonds (distance) C4'-P energy: -161.439 bonds (distance) P-C4' energy: -145.139 flat angles C4'-P-C4' energy: -186.027 flat angles P-C4'-P energy: -124.990 tors. eta vs tors. theta energy: -213.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2487.751466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.751466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.751466 (E_RNA) where: Base-Base interactions energy: -1673.828 where: short stacking energy: -732.278 Base-Backbone interact. energy: -1.663 local terms energy: -812.260927 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -165.162 flat angles C4'-P-C4' energy: -172.148 flat angles P-C4'-P energy: -119.880 tors. eta vs tors. theta energy: -218.483 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: 337 Temperature: 1.150000 Total energy: -2502.219386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.219386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.219386 (E_RNA) where: Base-Base interactions energy: -1744.877 where: short stacking energy: -729.195 Base-Backbone interact. energy: -2.639 local terms energy: -754.703426 where: bonds (distance) C4'-P energy: -123.739 bonds (distance) P-C4' energy: -158.545 flat angles C4'-P-C4' energy: -170.549 flat angles P-C4'-P energy: -108.098 tors. eta vs tors. theta energy: -193.772 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: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2164.750041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.750041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.750041 (E_RNA) where: Base-Base interactions energy: -1492.599 where: short stacking energy: -651.710 Base-Backbone interact. energy: -2.093 local terms energy: -670.058107 where: bonds (distance) C4'-P energy: -120.014 bonds (distance) P-C4' energy: -121.350 flat angles C4'-P-C4' energy: -158.918 flat angles P-C4'-P energy: -118.431 tors. eta vs tors. theta energy: -151.345 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: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -2004.644425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.644425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.644425 (E_RNA) where: Base-Base interactions energy: -1371.312 where: short stacking energy: -578.707 Base-Backbone interact. energy: 2.960 local terms energy: -636.292914 where: bonds (distance) C4'-P energy: -121.006 bonds (distance) P-C4' energy: -149.822 flat angles C4'-P-C4' energy: -141.704 flat angles P-C4'-P energy: -102.192 tors. eta vs tors. theta energy: -121.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1458.579331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.579331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.579331 (E_RNA) where: Base-Base interactions energy: -904.368 where: short stacking energy: -415.794 Base-Backbone interact. energy: 3.552 local terms energy: -557.763438 where: bonds (distance) C4'-P energy: -147.314 bonds (distance) P-C4' energy: -124.024 flat angles C4'-P-C4' energy: -132.555 flat angles P-C4'-P energy: -90.725 tors. eta vs tors. theta energy: -63.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1029.628719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.628719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.628719 (E_RNA) where: Base-Base interactions energy: -566.146 where: short stacking energy: -289.261 Base-Backbone interact. energy: -2.795 local terms energy: -460.688096 where: bonds (distance) C4'-P energy: -119.647 bonds (distance) P-C4' energy: -135.148 flat angles C4'-P-C4' energy: -114.521 flat angles P-C4'-P energy: -73.866 tors. eta vs tors. theta energy: -17.506 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: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2977.242685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.242685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.242685 (E_RNA) where: Base-Base interactions energy: -2100.943 where: short stacking energy: -883.944 Base-Backbone interact. energy: -1.871 local terms energy: -874.429465 where: bonds (distance) C4'-P energy: -158.151 bonds (distance) P-C4' energy: -169.777 flat angles C4'-P-C4' energy: -185.833 flat angles P-C4'-P energy: -128.473 tors. eta vs tors. theta energy: -232.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2982.537982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.537982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.537982 (E_RNA) where: Base-Base interactions energy: -2119.000 where: short stacking energy: -854.463 Base-Backbone interact. energy: -0.334 local terms energy: -863.203821 where: bonds (distance) C4'-P energy: -158.191 bonds (distance) P-C4' energy: -162.162 flat angles C4'-P-C4' energy: -194.997 flat angles P-C4'-P energy: -114.027 tors. eta vs tors. theta energy: -233.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2865.558966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.558966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.558966 (E_RNA) where: Base-Base interactions energy: -2010.459 where: short stacking energy: -849.703 Base-Backbone interact. energy: -0.354 local terms energy: -854.745909 where: bonds (distance) C4'-P energy: -148.828 bonds (distance) P-C4' energy: -141.153 flat angles C4'-P-C4' energy: -188.772 flat angles P-C4'-P energy: -130.819 tors. eta vs tors. theta energy: -245.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2621.698252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.698252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.698252 (E_RNA) where: Base-Base interactions energy: -1829.148 where: short stacking energy: -812.411 Base-Backbone interact. energy: -1.201 local terms energy: -791.349005 where: bonds (distance) C4'-P energy: -137.258 bonds (distance) P-C4' energy: -139.168 flat angles C4'-P-C4' energy: -180.531 flat angles P-C4'-P energy: -117.422 tors. eta vs tors. theta energy: -216.969 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: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2530.789920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.789920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.789920 (E_RNA) where: Base-Base interactions energy: -1733.978 where: short stacking energy: -754.038 Base-Backbone interact. energy: -5.713 local terms energy: -791.098999 where: bonds (distance) C4'-P energy: -146.734 bonds (distance) P-C4' energy: -150.178 flat angles C4'-P-C4' energy: -182.211 flat angles P-C4'-P energy: -116.513 tors. eta vs tors. theta energy: -195.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2398.460430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.460430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.460430 (E_RNA) where: Base-Base interactions energy: -1635.762 where: short stacking energy: -735.197 Base-Backbone interact. energy: 3.046 local terms energy: -765.744889 where: bonds (distance) C4'-P energy: -140.893 bonds (distance) P-C4' energy: -127.484 flat angles C4'-P-C4' energy: -174.010 flat angles P-C4'-P energy: -110.379 tors. eta vs tors. theta energy: -212.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2131.454008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.454008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.454008 (E_RNA) where: Base-Base interactions energy: -1448.864 where: short stacking energy: -620.141 Base-Backbone interact. energy: -5.886 local terms energy: -676.704228 where: bonds (distance) C4'-P energy: -128.824 bonds (distance) P-C4' energy: -142.491 flat angles C4'-P-C4' energy: -162.939 flat angles P-C4'-P energy: -100.169 tors. eta vs tors. theta energy: -142.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1970.103825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.103825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.103825 (E_RNA) where: Base-Base interactions energy: -1386.355 where: short stacking energy: -588.581 Base-Backbone interact. energy: -0.875 local terms energy: -582.874365 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -131.062 flat angles C4'-P-C4' energy: -121.061 flat angles P-C4'-P energy: -68.860 tors. eta vs tors. theta energy: -131.379 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: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1460.570007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.570007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.570007 (E_RNA) where: Base-Base interactions energy: -911.085 where: short stacking energy: -408.853 Base-Backbone interact. energy: -0.951 local terms energy: -548.533440 where: bonds (distance) C4'-P energy: -126.795 bonds (distance) P-C4' energy: -154.682 flat angles C4'-P-C4' energy: -139.672 flat angles P-C4'-P energy: -77.388 tors. eta vs tors. theta energy: -49.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1062.519415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.519415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.519415 (E_RNA) where: Base-Base interactions energy: -593.518 where: short stacking energy: -288.648 Base-Backbone interact. energy: 3.499 local terms energy: -472.500050 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -113.685 flat angles C4'-P-C4' energy: -126.586 flat angles P-C4'-P energy: -93.117 tors. eta vs tors. theta energy: -8.120 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: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3009.657568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.657568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.657568 (E_RNA) where: Base-Base interactions energy: -2082.238 where: short stacking energy: -859.090 Base-Backbone interact. energy: -2.805 local terms energy: -924.615345 where: bonds (distance) C4'-P energy: -169.545 bonds (distance) P-C4' energy: -175.803 flat angles C4'-P-C4' energy: -192.347 flat angles P-C4'-P energy: -136.341 tors. eta vs tors. theta energy: -250.580 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: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2955.049404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.049404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.049404 (E_RNA) where: Base-Base interactions energy: -2088.474 where: short stacking energy: -854.940 Base-Backbone interact. energy: -4.209 local terms energy: -862.366979 where: bonds (distance) C4'-P energy: -164.686 bonds (distance) P-C4' energy: -168.938 flat angles C4'-P-C4' energy: -181.498 flat angles P-C4'-P energy: -105.745 tors. eta vs tors. theta energy: -241.500 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: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2857.835829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.835829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.835829 (E_RNA) where: Base-Base interactions energy: -1999.663 where: short stacking energy: -879.015 Base-Backbone interact. energy: -5.042 local terms energy: -853.130347 where: bonds (distance) C4'-P energy: -156.534 bonds (distance) P-C4' energy: -153.315 flat angles C4'-P-C4' energy: -186.121 flat angles P-C4'-P energy: -109.667 tors. eta vs tors. theta energy: -247.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2651.822100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.822100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.822100 (E_RNA) where: Base-Base interactions energy: -1803.880 where: short stacking energy: -797.317 Base-Backbone interact. energy: -3.166 local terms energy: -844.775244 where: bonds (distance) C4'-P energy: -175.297 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -173.069 flat angles P-C4'-P energy: -127.905 tors. eta vs tors. theta energy: -226.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2533.969986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.969986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.969986 (E_RNA) where: Base-Base interactions energy: -1744.541 where: short stacking energy: -736.122 Base-Backbone interact. energy: -3.249 local terms energy: -786.180060 where: bonds (distance) C4'-P energy: -148.143 bonds (distance) P-C4' energy: -136.370 flat angles C4'-P-C4' energy: -177.407 flat angles P-C4'-P energy: -116.515 tors. eta vs tors. theta energy: -207.745 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: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2411.812215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.812215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.812215 (E_RNA) where: Base-Base interactions energy: -1649.053 where: short stacking energy: -733.324 Base-Backbone interact. energy: -4.295 local terms energy: -758.464386 where: bonds (distance) C4'-P energy: -134.249 bonds (distance) P-C4' energy: -147.554 flat angles C4'-P-C4' energy: -165.713 flat angles P-C4'-P energy: -103.953 tors. eta vs tors. theta energy: -206.995 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: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2103.642259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.642259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.642259 (E_RNA) where: Base-Base interactions energy: -1433.790 where: short stacking energy: -603.563 Base-Backbone interact. energy: -3.208 local terms energy: -666.644654 where: bonds (distance) C4'-P energy: -131.043 bonds (distance) P-C4' energy: -139.602 flat angles C4'-P-C4' energy: -152.401 flat angles P-C4'-P energy: -102.795 tors. eta vs tors. theta energy: -140.804 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: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1884.218617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.218617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.218617 (E_RNA) where: Base-Base interactions energy: -1231.255 where: short stacking energy: -499.748 Base-Backbone interact. energy: -2.280 local terms energy: -650.683454 where: bonds (distance) C4'-P energy: -125.697 bonds (distance) P-C4' energy: -153.611 flat angles C4'-P-C4' energy: -154.831 flat angles P-C4'-P energy: -94.264 tors. eta vs tors. theta energy: -122.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1502.238021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.238021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.238021 (E_RNA) where: Base-Base interactions energy: -960.329 where: short stacking energy: -469.360 Base-Backbone interact. energy: -0.681 local terms energy: -541.228614 where: bonds (distance) C4'-P energy: -116.575 bonds (distance) P-C4' energy: -142.197 flat angles C4'-P-C4' energy: -133.804 flat angles P-C4'-P energy: -81.436 tors. eta vs tors. theta energy: -67.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1011.048538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.048538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.048538 (E_RNA) where: Base-Base interactions energy: -536.899 where: short stacking energy: -274.065 Base-Backbone interact. energy: 1.433 local terms energy: -475.582166 where: bonds (distance) C4'-P energy: -156.806 bonds (distance) P-C4' energy: -146.899 flat angles C4'-P-C4' energy: -114.656 flat angles P-C4'-P energy: -57.355 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: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3028.109853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.109853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.109853 (E_RNA) where: Base-Base interactions energy: -2121.768 where: short stacking energy: -900.060 Base-Backbone interact. energy: -6.223 local terms energy: -900.119042 where: bonds (distance) C4'-P energy: -160.464 bonds (distance) P-C4' energy: -176.277 flat angles C4'-P-C4' energy: -194.358 flat angles P-C4'-P energy: -119.138 tors. eta vs tors. theta energy: -249.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2956.521703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.521703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.521703 (E_RNA) where: Base-Base interactions energy: -2083.695 where: short stacking energy: -847.121 Base-Backbone interact. energy: -4.559 local terms energy: -868.267936 where: bonds (distance) C4'-P energy: -175.230 bonds (distance) P-C4' energy: -148.129 flat angles C4'-P-C4' energy: -193.511 flat angles P-C4'-P energy: -109.855 tors. eta vs tors. theta energy: -241.543 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: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2884.375794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.375794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.375794 (E_RNA) where: Base-Base interactions energy: -1996.335 where: short stacking energy: -878.643 Base-Backbone interact. energy: -4.479 local terms energy: -883.562533 where: bonds (distance) C4'-P energy: -162.731 bonds (distance) P-C4' energy: -164.062 flat angles C4'-P-C4' energy: -184.043 flat angles P-C4'-P energy: -127.013 tors. eta vs tors. theta energy: -245.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2662.840612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.840612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.840612 (E_RNA) where: Base-Base interactions energy: -1879.556 where: short stacking energy: -799.420 Base-Backbone interact. energy: 6.383 local terms energy: -789.667594 where: bonds (distance) C4'-P energy: -134.659 bonds (distance) P-C4' energy: -160.830 flat angles C4'-P-C4' energy: -175.605 flat angles P-C4'-P energy: -108.561 tors. eta vs tors. theta energy: -210.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2553.788469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.788469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.788469 (E_RNA) where: Base-Base interactions energy: -1780.919 where: short stacking energy: -742.653 Base-Backbone interact. energy: -6.206 local terms energy: -766.663430 where: bonds (distance) C4'-P energy: -141.748 bonds (distance) P-C4' energy: -150.893 flat angles C4'-P-C4' energy: -160.299 flat angles P-C4'-P energy: -111.340 tors. eta vs tors. theta energy: -202.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2310.661657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.661657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.661657 (E_RNA) where: Base-Base interactions energy: -1565.850 where: short stacking energy: -696.152 Base-Backbone interact. energy: -0.579 local terms energy: -744.233189 where: bonds (distance) C4'-P energy: -144.367 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -173.727 flat angles P-C4'-P energy: -112.948 tors. eta vs tors. theta energy: -170.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2201.234782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.234782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.234782 (E_RNA) where: Base-Base interactions energy: -1513.356 where: short stacking energy: -639.178 Base-Backbone interact. energy: -4.279 local terms energy: -683.600460 where: bonds (distance) C4'-P energy: -142.023 bonds (distance) P-C4' energy: -138.245 flat angles C4'-P-C4' energy: -161.792 flat angles P-C4'-P energy: -85.139 tors. eta vs tors. theta energy: -156.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1884.790901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.790901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.790901 (E_RNA) where: Base-Base interactions energy: -1235.411 where: short stacking energy: -530.180 Base-Backbone interact. energy: -3.479 local terms energy: -645.900540 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -140.149 flat angles C4'-P-C4' energy: -155.079 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: -127.993 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: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1522.414102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.414102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.414102 (E_RNA) where: Base-Base interactions energy: -960.110 where: short stacking energy: -426.083 Base-Backbone interact. energy: 1.170 local terms energy: -563.474217 where: bonds (distance) C4'-P energy: -146.861 bonds (distance) P-C4' energy: -137.835 flat angles C4'-P-C4' energy: -146.612 flat angles P-C4'-P energy: -77.426 tors. eta vs tors. theta energy: -54.740 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: 340 Temperature: 1.350000 Total energy: -1025.270187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.270187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.270187 (E_RNA) where: Base-Base interactions energy: -564.980 where: short stacking energy: -308.019 Base-Backbone interact. energy: 1.817 local terms energy: -462.107374 where: bonds (distance) C4'-P energy: -139.913 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -109.278 flat angles P-C4'-P energy: -70.679 tors. eta vs tors. theta energy: -6.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3060.788822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.788822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.788822 (E_RNA) where: Base-Base interactions energy: -2154.964 where: short stacking energy: -883.538 Base-Backbone interact. energy: 2.670 local terms energy: -908.494525 where: bonds (distance) C4'-P energy: -168.782 bonds (distance) P-C4' energy: -168.650 flat angles C4'-P-C4' energy: -187.020 flat angles P-C4'-P energy: -130.247 tors. eta vs tors. theta energy: -253.795 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: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2979.803871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.803871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.803871 (E_RNA) where: Base-Base interactions energy: -2083.495 where: short stacking energy: -883.637 Base-Backbone interact. energy: -4.694 local terms energy: -891.614820 where: bonds (distance) C4'-P energy: -157.842 bonds (distance) P-C4' energy: -169.385 flat angles C4'-P-C4' energy: -186.819 flat angles P-C4'-P energy: -133.355 tors. eta vs tors. theta energy: -244.214 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: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2857.978750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.978750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.978750 (E_RNA) where: Base-Base interactions energy: -1972.698 where: short stacking energy: -841.666 Base-Backbone interact. energy: 2.018 local terms energy: -887.299139 where: bonds (distance) C4'-P energy: -163.936 bonds (distance) P-C4' energy: -162.492 flat angles C4'-P-C4' energy: -180.210 flat angles P-C4'-P energy: -122.986 tors. eta vs tors. theta energy: -257.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2628.006043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.006043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.006043 (E_RNA) where: Base-Base interactions energy: -1817.576 where: short stacking energy: -780.518 Base-Backbone interact. energy: -2.928 local terms energy: -807.502631 where: bonds (distance) C4'-P energy: -156.273 bonds (distance) P-C4' energy: -157.014 flat angles C4'-P-C4' energy: -162.026 flat angles P-C4'-P energy: -112.239 tors. eta vs tors. theta energy: -219.950 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: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2521.148538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.148538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.148538 (E_RNA) where: Base-Base interactions energy: -1773.609 where: short stacking energy: -750.174 Base-Backbone interact. energy: 0.778 local terms energy: -748.317684 where: bonds (distance) C4'-P energy: -139.039 bonds (distance) P-C4' energy: -143.296 flat angles C4'-P-C4' energy: -166.875 flat angles P-C4'-P energy: -109.038 tors. eta vs tors. theta energy: -190.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2365.922549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.922549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.922549 (E_RNA) where: Base-Base interactions energy: -1626.271 where: short stacking energy: -708.738 Base-Backbone interact. energy: -2.616 local terms energy: -737.035823 where: bonds (distance) C4'-P energy: -162.326 bonds (distance) P-C4' energy: -139.405 flat angles C4'-P-C4' energy: -161.486 flat angles P-C4'-P energy: -93.250 tors. eta vs tors. theta energy: -180.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2146.688031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.688031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.688031 (E_RNA) where: Base-Base interactions energy: -1486.431 where: short stacking energy: -635.519 Base-Backbone interact. energy: 1.975 local terms energy: -662.231365 where: bonds (distance) C4'-P energy: -134.448 bonds (distance) P-C4' energy: -143.518 flat angles C4'-P-C4' energy: -130.282 flat angles P-C4'-P energy: -114.505 tors. eta vs tors. theta energy: -139.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1912.303843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.303843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.303843 (E_RNA) where: Base-Base interactions energy: -1276.098 where: short stacking energy: -568.036 Base-Backbone interact. energy: -0.380 local terms energy: -635.825473 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -135.523 flat angles C4'-P-C4' energy: -152.350 flat angles P-C4'-P energy: -101.162 tors. eta vs tors. theta energy: -126.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1517.704043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.704043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.704043 (E_RNA) where: Base-Base interactions energy: -944.168 where: short stacking energy: -412.163 Base-Backbone interact. energy: -1.022 local terms energy: -572.514161 where: bonds (distance) C4'-P energy: -143.238 bonds (distance) P-C4' energy: -145.906 flat angles C4'-P-C4' energy: -136.485 flat angles P-C4'-P energy: -89.952 tors. eta vs tors. theta energy: -56.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1055.987781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.987781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.987781 (E_RNA) where: Base-Base interactions energy: -585.333 where: short stacking energy: -311.566 Base-Backbone interact. energy: -1.392 local terms energy: -469.262749 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -143.299 flat angles C4'-P-C4' energy: -130.851 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -19.206 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: 342 Temperature: 0.900000 Total energy: -3069.019634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.019634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.019634 (E_RNA) where: Base-Base interactions energy: -2154.202 where: short stacking energy: -892.622 Base-Backbone interact. energy: 0.891 local terms energy: -915.708689 where: bonds (distance) C4'-P energy: -170.294 bonds (distance) P-C4' energy: -163.819 flat angles C4'-P-C4' energy: -198.602 flat angles P-C4'-P energy: -136.169 tors. eta vs tors. theta energy: -246.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2950.543516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.543516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.543516 (E_RNA) where: Base-Base interactions energy: -2086.282 where: short stacking energy: -856.947 Base-Backbone interact. energy: -4.730 local terms energy: -859.531615 where: bonds (distance) C4'-P energy: -141.055 bonds (distance) P-C4' energy: -171.667 flat angles C4'-P-C4' energy: -184.187 flat angles P-C4'-P energy: -119.455 tors. eta vs tors. theta energy: -243.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2817.218839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.218839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.218839 (E_RNA) where: Base-Base interactions energy: -1946.602 where: short stacking energy: -838.385 Base-Backbone interact. energy: -2.461 local terms energy: -868.156582 where: bonds (distance) C4'-P energy: -165.235 bonds (distance) P-C4' energy: -146.056 flat angles C4'-P-C4' energy: -176.212 flat angles P-C4'-P energy: -133.616 tors. eta vs tors. theta energy: -247.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2627.984886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.984886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.984886 (E_RNA) where: Base-Base interactions energy: -1821.046 where: short stacking energy: -785.965 Base-Backbone interact. energy: 1.143 local terms energy: -808.082759 where: bonds (distance) C4'-P energy: -148.039 bonds (distance) P-C4' energy: -166.812 flat angles C4'-P-C4' energy: -177.685 flat angles P-C4'-P energy: -103.006 tors. eta vs tors. theta energy: -212.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2545.338789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.338789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.338789 (E_RNA) where: Base-Base interactions energy: -1770.998 where: short stacking energy: -746.894 Base-Backbone interact. energy: -4.357 local terms energy: -769.983908 where: bonds (distance) C4'-P energy: -159.182 bonds (distance) P-C4' energy: -163.037 flat angles C4'-P-C4' energy: -159.732 flat angles P-C4'-P energy: -99.955 tors. eta vs tors. theta energy: -188.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2356.951640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.951640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.951640 (E_RNA) where: Base-Base interactions energy: -1617.637 where: short stacking energy: -703.833 Base-Backbone interact. energy: -1.916 local terms energy: -737.398201 where: bonds (distance) C4'-P energy: -132.874 bonds (distance) P-C4' energy: -129.553 flat angles C4'-P-C4' energy: -174.739 flat angles P-C4'-P energy: -112.656 tors. eta vs tors. theta energy: -187.577 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: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2151.829740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.829740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.829740 (E_RNA) where: Base-Base interactions energy: -1458.904 where: short stacking energy: -609.607 Base-Backbone interact. energy: 0.076 local terms energy: -693.001872 where: bonds (distance) C4'-P energy: -142.127 bonds (distance) P-C4' energy: -156.876 flat angles C4'-P-C4' energy: -150.660 flat angles P-C4'-P energy: -99.553 tors. eta vs tors. theta energy: -143.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1960.260991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.260991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.260991 (E_RNA) where: Base-Base interactions energy: -1302.907 where: short stacking energy: -568.724 Base-Backbone interact. energy: 1.655 local terms energy: -659.008717 where: bonds (distance) C4'-P energy: -134.820 bonds (distance) P-C4' energy: -145.896 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -97.561 tors. eta vs tors. theta energy: -125.349 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: 4 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1535.411812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.411812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.411812 (E_RNA) where: Base-Base interactions energy: -982.395 where: short stacking energy: -453.672 Base-Backbone interact. energy: -1.869 local terms energy: -551.148195 where: bonds (distance) C4'-P energy: -132.730 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -137.412 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -67.544 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: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1033.830372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.830372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.830372 (E_RNA) where: Base-Base interactions energy: -577.680 where: short stacking energy: -313.450 Base-Backbone interact. energy: -0.641 local terms energy: -455.508995 where: bonds (distance) C4'-P energy: -144.089 bonds (distance) P-C4' energy: -121.620 flat angles C4'-P-C4' energy: -92.325 flat angles P-C4'-P energy: -96.711 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3061.794891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.794891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.794891 (E_RNA) where: Base-Base interactions energy: -2165.824 where: short stacking energy: -907.097 Base-Backbone interact. energy: -3.482 local terms energy: -892.489053 where: bonds (distance) C4'-P energy: -167.499 bonds (distance) P-C4' energy: -155.848 flat angles C4'-P-C4' energy: -191.566 flat angles P-C4'-P energy: -128.772 tors. eta vs tors. theta energy: -248.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2953.187496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.187496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.187496 (E_RNA) where: Base-Base interactions energy: -2079.904 where: short stacking energy: -872.450 Base-Backbone interact. energy: -0.291 local terms energy: -872.992479 where: bonds (distance) C4'-P energy: -154.547 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -189.995 flat angles P-C4'-P energy: -127.942 tors. eta vs tors. theta energy: -234.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2836.094456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.094456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.094456 (E_RNA) where: Base-Base interactions energy: -1963.856 where: short stacking energy: -850.438 Base-Backbone interact. energy: -3.373 local terms energy: -868.865580 where: bonds (distance) C4'-P energy: -156.733 bonds (distance) P-C4' energy: -145.785 flat angles C4'-P-C4' energy: -194.876 flat angles P-C4'-P energy: -127.532 tors. eta vs tors. theta energy: -243.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2645.607031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.607031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.607031 (E_RNA) where: Base-Base interactions energy: -1814.821 where: short stacking energy: -813.342 Base-Backbone interact. energy: -3.250 local terms energy: -827.535513 where: bonds (distance) C4'-P energy: -156.821 bonds (distance) P-C4' energy: -155.261 flat angles C4'-P-C4' energy: -172.578 flat angles P-C4'-P energy: -124.567 tors. eta vs tors. theta energy: -218.309 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: 343 Temperature: 1.100000 Total energy: -2585.182529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.182529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.182529 (E_RNA) where: Base-Base interactions energy: -1818.059 where: short stacking energy: -773.565 Base-Backbone interact. energy: -3.848 local terms energy: -763.275250 where: bonds (distance) C4'-P energy: -145.288 bonds (distance) P-C4' energy: -151.747 flat angles C4'-P-C4' energy: -156.384 flat angles P-C4'-P energy: -104.209 tors. eta vs tors. theta energy: -205.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2330.680576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.680576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.680576 (E_RNA) where: Base-Base interactions energy: -1602.152 where: short stacking energy: -714.543 Base-Backbone interact. energy: 4.048 local terms energy: -732.576515 where: bonds (distance) C4'-P energy: -138.715 bonds (distance) P-C4' energy: -149.008 flat angles C4'-P-C4' energy: -159.577 flat angles P-C4'-P energy: -106.815 tors. eta vs tors. theta energy: -178.462 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: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2214.324443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.324443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.324443 (E_RNA) where: Base-Base interactions energy: -1519.312 where: short stacking energy: -639.952 Base-Backbone interact. energy: -5.102 local terms energy: -689.911077 where: bonds (distance) C4'-P energy: -140.927 bonds (distance) P-C4' energy: -154.862 flat angles C4'-P-C4' energy: -141.669 flat angles P-C4'-P energy: -103.768 tors. eta vs tors. theta energy: -148.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1967.699917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.699917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.699917 (E_RNA) where: Base-Base interactions energy: -1335.321 where: short stacking energy: -555.023 Base-Backbone interact. energy: -3.559 local terms energy: -628.819110 where: bonds (distance) C4'-P energy: -133.251 bonds (distance) P-C4' energy: -144.229 flat angles C4'-P-C4' energy: -138.829 flat angles P-C4'-P energy: -85.565 tors. eta vs tors. theta energy: -126.945 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: 4 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1450.525434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.525434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.525434 (E_RNA) where: Base-Base interactions energy: -897.889 where: short stacking energy: -412.820 Base-Backbone interact. energy: 4.201 local terms energy: -556.837073 where: bonds (distance) C4'-P energy: -148.564 bonds (distance) P-C4' energy: -134.171 flat angles C4'-P-C4' energy: -140.752 flat angles P-C4'-P energy: -81.015 tors. eta vs tors. theta energy: -52.334 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: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1067.394037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.394037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.394037 (E_RNA) where: Base-Base interactions energy: -596.596 where: short stacking energy: -305.731 Base-Backbone interact. energy: -4.314 local terms energy: -466.484123 where: bonds (distance) C4'-P energy: -135.895 bonds (distance) P-C4' energy: -119.987 flat angles C4'-P-C4' energy: -130.856 flat angles P-C4'-P energy: -68.405 tors. eta vs tors. theta energy: -11.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3024.914454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.914454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.914454 (E_RNA) where: Base-Base interactions energy: -2116.993 where: short stacking energy: -877.144 Base-Backbone interact. energy: -4.530 local terms energy: -903.391138 where: bonds (distance) C4'-P energy: -161.647 bonds (distance) P-C4' energy: -174.272 flat angles C4'-P-C4' energy: -193.551 flat angles P-C4'-P energy: -126.160 tors. eta vs tors. theta energy: -247.761 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: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2944.113274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.113274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.113274 (E_RNA) where: Base-Base interactions energy: -2078.609 where: short stacking energy: -848.705 Base-Backbone interact. energy: -6.560 local terms energy: -858.944170 where: bonds (distance) C4'-P energy: -166.520 bonds (distance) P-C4' energy: -158.715 flat angles C4'-P-C4' energy: -190.735 flat angles P-C4'-P energy: -116.026 tors. eta vs tors. theta energy: -226.948 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: 344 Temperature: 1.000000 Total energy: -2855.427955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.427955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.427955 (E_RNA) where: Base-Base interactions energy: -2004.474 where: short stacking energy: -898.535 Base-Backbone interact. energy: -2.573 local terms energy: -848.380948 where: bonds (distance) C4'-P energy: -168.410 bonds (distance) P-C4' energy: -165.061 flat angles C4'-P-C4' energy: -158.953 flat angles P-C4'-P energy: -109.535 tors. eta vs tors. theta energy: -246.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2673.322144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.322144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.322144 (E_RNA) where: Base-Base interactions energy: -1817.195 where: short stacking energy: -812.652 Base-Backbone interact. energy: -0.649 local terms energy: -855.478123 where: bonds (distance) C4'-P energy: -160.047 bonds (distance) P-C4' energy: -157.352 flat angles C4'-P-C4' energy: -192.901 flat angles P-C4'-P energy: -119.964 tors. eta vs tors. theta energy: -225.214 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: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2531.458643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.458643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.458643 (E_RNA) where: Base-Base interactions energy: -1735.298 where: short stacking energy: -751.172 Base-Backbone interact. energy: 1.117 local terms energy: -797.278087 where: bonds (distance) C4'-P energy: -143.518 bonds (distance) P-C4' energy: -149.204 flat angles C4'-P-C4' energy: -184.960 flat angles P-C4'-P energy: -120.675 tors. eta vs tors. theta energy: -198.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2439.597717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.597717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.597717 (E_RNA) where: Base-Base interactions energy: -1672.191 where: short stacking energy: -719.495 Base-Backbone interact. energy: 0.163 local terms energy: -767.569652 where: bonds (distance) C4'-P energy: -149.063 bonds (distance) P-C4' energy: -146.526 flat angles C4'-P-C4' energy: -172.520 flat angles P-C4'-P energy: -105.948 tors. eta vs tors. theta energy: -193.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2188.750414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.750414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.750414 (E_RNA) where: Base-Base interactions energy: -1509.603 where: short stacking energy: -637.303 Base-Backbone interact. energy: -0.456 local terms energy: -678.691510 where: bonds (distance) C4'-P energy: -134.664 bonds (distance) P-C4' energy: -136.990 flat angles C4'-P-C4' energy: -155.800 flat angles P-C4'-P energy: -99.329 tors. eta vs tors. theta energy: -151.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1851.719997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.719997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.719997 (E_RNA) where: Base-Base interactions energy: -1231.327 where: short stacking energy: -513.878 Base-Backbone interact. energy: -0.306 local terms energy: -620.087511 where: bonds (distance) C4'-P energy: -149.822 bonds (distance) P-C4' energy: -144.414 flat angles C4'-P-C4' energy: -151.026 flat angles P-C4'-P energy: -72.299 tors. eta vs tors. theta energy: -102.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1437.685610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.685610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.685610 (E_RNA) where: Base-Base interactions energy: -908.993 where: short stacking energy: -390.699 Base-Backbone interact. energy: 6.076 local terms energy: -534.768551 where: bonds (distance) C4'-P energy: -118.256 bonds (distance) P-C4' energy: -160.291 flat angles C4'-P-C4' energy: -120.639 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -50.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1050.824890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.824890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.824890 (E_RNA) where: Base-Base interactions energy: -600.214 where: short stacking energy: -303.300 Base-Backbone interact. energy: 1.180 local terms energy: -451.790217 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -134.386 flat angles C4'-P-C4' energy: -94.779 flat angles P-C4'-P energy: -81.511 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3064.450347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.450347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.450347 (E_RNA) where: Base-Base interactions energy: -2189.420 where: short stacking energy: -886.899 Base-Backbone interact. energy: 1.296 local terms energy: -876.326534 where: bonds (distance) C4'-P energy: -160.552 bonds (distance) P-C4' energy: -153.499 flat angles C4'-P-C4' energy: -200.214 flat angles P-C4'-P energy: -124.846 tors. eta vs tors. theta energy: -237.215 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: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2898.497721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.497721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.497721 (E_RNA) where: Base-Base interactions energy: -2033.252 where: short stacking energy: -836.008 Base-Backbone interact. energy: -5.575 local terms energy: -859.670767 where: bonds (distance) C4'-P energy: -156.115 bonds (distance) P-C4' energy: -166.838 flat angles C4'-P-C4' energy: -184.232 flat angles P-C4'-P energy: -133.237 tors. eta vs tors. theta energy: -219.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2852.538107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.538107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.538107 (E_RNA) where: Base-Base interactions energy: -1968.727 where: short stacking energy: -854.907 Base-Backbone interact. energy: -3.292 local terms energy: -880.519244 where: bonds (distance) C4'-P energy: -169.138 bonds (distance) P-C4' energy: -160.133 flat angles C4'-P-C4' energy: -192.479 flat angles P-C4'-P energy: -112.342 tors. eta vs tors. theta energy: -246.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2650.378301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.378301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.378301 (E_RNA) where: Base-Base interactions energy: -1838.905 where: short stacking energy: -794.654 Base-Backbone interact. energy: 0.957 local terms energy: -812.429499 where: bonds (distance) C4'-P energy: -153.220 bonds (distance) P-C4' energy: -144.235 flat angles C4'-P-C4' energy: -179.358 flat angles P-C4'-P energy: -114.238 tors. eta vs tors. theta energy: -221.379 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: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2557.338262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.338262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.338262 (E_RNA) where: Base-Base interactions energy: -1776.159 where: short stacking energy: -764.994 Base-Backbone interact. energy: 1.699 local terms energy: -782.878534 where: bonds (distance) C4'-P energy: -149.204 bonds (distance) P-C4' energy: -136.607 flat angles C4'-P-C4' energy: -175.709 flat angles P-C4'-P energy: -106.565 tors. eta vs tors. theta energy: -214.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2376.971649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.971649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.971649 (E_RNA) where: Base-Base interactions energy: -1611.788 where: short stacking energy: -708.912 Base-Backbone interact. energy: -1.771 local terms energy: -763.412749 where: bonds (distance) C4'-P energy: -151.168 bonds (distance) P-C4' energy: -148.754 flat angles C4'-P-C4' energy: -156.953 flat angles P-C4'-P energy: -111.599 tors. eta vs tors. theta energy: -194.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2122.700552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.700552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.700552 (E_RNA) where: Base-Base interactions energy: -1433.835 where: short stacking energy: -622.349 Base-Backbone interact. energy: -1.696 local terms energy: -687.170093 where: bonds (distance) C4'-P energy: -135.288 bonds (distance) P-C4' energy: -128.579 flat angles C4'-P-C4' energy: -165.046 flat angles P-C4'-P energy: -111.081 tors. eta vs tors. theta energy: -147.176 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: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1784.714202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.714202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.714202 (E_RNA) where: Base-Base interactions energy: -1192.563 where: short stacking energy: -539.423 Base-Backbone interact. energy: -6.558 local terms energy: -585.593187 where: bonds (distance) C4'-P energy: -130.496 bonds (distance) P-C4' energy: -134.603 flat angles C4'-P-C4' energy: -117.685 flat angles P-C4'-P energy: -90.207 tors. eta vs tors. theta energy: -112.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1467.779749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.779749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.779749 (E_RNA) where: Base-Base interactions energy: -943.084 where: short stacking energy: -431.532 Base-Backbone interact. energy: 5.261 local terms energy: -529.957281 where: bonds (distance) C4'-P energy: -116.473 bonds (distance) P-C4' energy: -149.240 flat angles C4'-P-C4' energy: -133.286 flat angles P-C4'-P energy: -69.544 tors. eta vs tors. theta energy: -61.414 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: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1081.627831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.627831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.627831 (E_RNA) where: Base-Base interactions energy: -653.778 where: short stacking energy: -338.501 Base-Backbone interact. energy: 10.731 local terms energy: -438.581203 where: bonds (distance) C4'-P energy: -103.833 bonds (distance) P-C4' energy: -128.730 flat angles C4'-P-C4' energy: -114.733 flat angles P-C4'-P energy: -69.582 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: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3065.850355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.850355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.850355 (E_RNA) where: Base-Base interactions energy: -2167.621 where: short stacking energy: -883.262 Base-Backbone interact. energy: -4.702 local terms energy: -893.527571 where: bonds (distance) C4'-P energy: -175.627 bonds (distance) P-C4' energy: -168.219 flat angles C4'-P-C4' energy: -197.172 flat angles P-C4'-P energy: -113.687 tors. eta vs tors. theta energy: -238.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2881.795706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.795706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.795706 (E_RNA) where: Base-Base interactions energy: -2012.849 where: short stacking energy: -838.939 Base-Backbone interact. energy: -5.552 local terms energy: -863.394337 where: bonds (distance) C4'-P energy: -159.751 bonds (distance) P-C4' energy: -162.384 flat angles C4'-P-C4' energy: -196.266 flat angles P-C4'-P energy: -121.450 tors. eta vs tors. theta energy: -223.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2851.783924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.783924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.783924 (E_RNA) where: Base-Base interactions energy: -1978.926 where: short stacking energy: -865.258 Base-Backbone interact. energy: -1.022 local terms energy: -871.835824 where: bonds (distance) C4'-P energy: -170.414 bonds (distance) P-C4' energy: -157.619 flat angles C4'-P-C4' energy: -186.607 flat angles P-C4'-P energy: -117.925 tors. eta vs tors. theta energy: -239.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2646.578172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.578172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.578172 (E_RNA) where: Base-Base interactions energy: -1803.661 where: short stacking energy: -788.262 Base-Backbone interact. energy: -1.369 local terms energy: -841.547891 where: bonds (distance) C4'-P energy: -168.910 bonds (distance) P-C4' energy: -167.685 flat angles C4'-P-C4' energy: -165.989 flat angles P-C4'-P energy: -112.867 tors. eta vs tors. theta energy: -226.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2555.359549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.359549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.359549 (E_RNA) where: Base-Base interactions energy: -1754.521 where: short stacking energy: -778.879 Base-Backbone interact. energy: -1.548 local terms energy: -799.290086 where: bonds (distance) C4'-P energy: -139.431 bonds (distance) P-C4' energy: -162.783 flat angles C4'-P-C4' energy: -172.243 flat angles P-C4'-P energy: -110.171 tors. eta vs tors. theta energy: -214.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2363.630295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.630295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.630295 (E_RNA) where: Base-Base interactions energy: -1601.904 where: short stacking energy: -686.047 Base-Backbone interact. energy: -4.091 local terms energy: -757.634416 where: bonds (distance) C4'-P energy: -149.718 bonds (distance) P-C4' energy: -153.382 flat angles C4'-P-C4' energy: -165.205 flat angles P-C4'-P energy: -99.611 tors. eta vs tors. theta energy: -189.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2148.733588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.733588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.733588 (E_RNA) where: Base-Base interactions energy: -1494.450 where: short stacking energy: -641.961 Base-Backbone interact. energy: 3.112 local terms energy: -657.395410 where: bonds (distance) C4'-P energy: -109.634 bonds (distance) P-C4' energy: -140.369 flat angles C4'-P-C4' energy: -148.201 flat angles P-C4'-P energy: -103.593 tors. eta vs tors. theta energy: -155.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1946.186041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.186041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.186041 (E_RNA) where: Base-Base interactions energy: -1330.103 where: short stacking energy: -580.526 Base-Backbone interact. energy: 1.076 local terms energy: -617.159228 where: bonds (distance) C4'-P energy: -131.749 bonds (distance) P-C4' energy: -140.811 flat angles C4'-P-C4' energy: -141.095 flat angles P-C4'-P energy: -87.458 tors. eta vs tors. theta energy: -116.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1492.768162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.768162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.768162 (E_RNA) where: Base-Base interactions energy: -924.689 where: short stacking energy: -423.679 Base-Backbone interact. energy: -2.998 local terms energy: -565.081571 where: bonds (distance) C4'-P energy: -167.897 bonds (distance) P-C4' energy: -141.465 flat angles C4'-P-C4' energy: -111.640 flat angles P-C4'-P energy: -76.951 tors. eta vs tors. theta energy: -67.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1109.275527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.275527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.275527 (E_RNA) where: Base-Base interactions energy: -628.216 where: short stacking energy: -326.895 Base-Backbone interact. energy: 7.640 local terms energy: -488.698922 where: bonds (distance) C4'-P energy: -117.376 bonds (distance) P-C4' energy: -140.841 flat angles C4'-P-C4' energy: -136.005 flat angles P-C4'-P energy: -71.373 tors. eta vs tors. theta energy: -23.104 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: 347 Temperature: 0.900000 Total energy: -3045.549975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.549975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.549975 (E_RNA) where: Base-Base interactions energy: -2123.767 where: short stacking energy: -875.557 Base-Backbone interact. energy: -1.187 local terms energy: -920.596863 where: bonds (distance) C4'-P energy: -166.771 bonds (distance) P-C4' energy: -190.284 flat angles C4'-P-C4' energy: -193.175 flat angles P-C4'-P energy: -123.311 tors. eta vs tors. theta energy: -247.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2925.572309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.572309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.572309 (E_RNA) where: Base-Base interactions energy: -2068.578 where: short stacking energy: -871.609 Base-Backbone interact. energy: -4.648 local terms energy: -852.346588 where: bonds (distance) C4'-P energy: -150.387 bonds (distance) P-C4' energy: -165.671 flat angles C4'-P-C4' energy: -174.745 flat angles P-C4'-P energy: -124.326 tors. eta vs tors. theta energy: -237.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2862.687226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.687226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.687226 (E_RNA) where: Base-Base interactions energy: -1979.022 where: short stacking energy: -852.787 Base-Backbone interact. energy: -3.639 local terms energy: -880.025927 where: bonds (distance) C4'-P energy: -164.238 bonds (distance) P-C4' energy: -150.622 flat angles C4'-P-C4' energy: -190.475 flat angles P-C4'-P energy: -124.344 tors. eta vs tors. theta energy: -250.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2677.500316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.500316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.500316 (E_RNA) where: Base-Base interactions energy: -1863.344 where: short stacking energy: -816.767 Base-Backbone interact. energy: -0.612 local terms energy: -813.544758 where: bonds (distance) C4'-P energy: -135.665 bonds (distance) P-C4' energy: -143.522 flat angles C4'-P-C4' energy: -195.649 flat angles P-C4'-P energy: -118.553 tors. eta vs tors. theta energy: -220.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2547.903067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.903067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.903067 (E_RNA) where: Base-Base interactions energy: -1741.935 where: short stacking energy: -766.441 Base-Backbone interact. energy: -2.254 local terms energy: -803.714646 where: bonds (distance) C4'-P energy: -154.528 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -186.417 flat angles P-C4'-P energy: -110.566 tors. eta vs tors. theta energy: -209.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2359.449372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.449372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.449372 (E_RNA) where: Base-Base interactions energy: -1591.789 where: short stacking energy: -681.457 Base-Backbone interact. energy: -3.505 local terms energy: -764.154768 where: bonds (distance) C4'-P energy: -143.500 bonds (distance) P-C4' energy: -159.955 flat angles C4'-P-C4' energy: -174.266 flat angles P-C4'-P energy: -96.537 tors. eta vs tors. theta energy: -189.897 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: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2125.715302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.715302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.715302 (E_RNA) where: Base-Base interactions energy: -1453.233 where: short stacking energy: -610.772 Base-Backbone interact. energy: 0.318 local terms energy: -672.801000 where: bonds (distance) C4'-P energy: -136.494 bonds (distance) P-C4' energy: -145.504 flat angles C4'-P-C4' energy: -164.696 flat angles P-C4'-P energy: -89.841 tors. eta vs tors. theta energy: -136.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1987.516731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.516731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.516731 (E_RNA) where: Base-Base interactions energy: -1351.231 where: short stacking energy: -601.590 Base-Backbone interact. energy: -1.235 local terms energy: -635.051561 where: bonds (distance) C4'-P energy: -114.029 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -150.300 flat angles P-C4'-P energy: -87.970 tors. eta vs tors. theta energy: -143.576 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: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1475.235350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.235350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.235350 (E_RNA) where: Base-Base interactions energy: -938.636 where: short stacking energy: -423.289 Base-Backbone interact. energy: -1.932 local terms energy: -534.667357 where: bonds (distance) C4'-P energy: -127.346 bonds (distance) P-C4' energy: -114.241 flat angles C4'-P-C4' energy: -147.591 flat angles P-C4'-P energy: -80.893 tors. eta vs tors. theta energy: -64.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1169.396774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.396774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.396774 (E_RNA) where: Base-Base interactions energy: -692.992 where: short stacking energy: -334.773 Base-Backbone interact. energy: -0.031 local terms energy: -476.373622 where: bonds (distance) C4'-P energy: -123.565 bonds (distance) P-C4' energy: -146.372 flat angles C4'-P-C4' energy: -125.138 flat angles P-C4'-P energy: -68.192 tors. eta vs tors. theta energy: -13.106 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: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3048.989571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.989571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.989571 (E_RNA) where: Base-Base interactions energy: -2159.750 where: short stacking energy: -889.747 Base-Backbone interact. energy: -7.447 local terms energy: -881.791939 where: bonds (distance) C4'-P energy: -143.863 bonds (distance) P-C4' energy: -165.840 flat angles C4'-P-C4' energy: -198.689 flat angles P-C4'-P energy: -131.826 tors. eta vs tors. theta energy: -241.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2894.906498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.906498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.906498 (E_RNA) where: Base-Base interactions energy: -2035.244 where: short stacking energy: -842.170 Base-Backbone interact. energy: -5.945 local terms energy: -853.716835 where: bonds (distance) C4'-P energy: -157.232 bonds (distance) P-C4' energy: -167.296 flat angles C4'-P-C4' energy: -182.693 flat angles P-C4'-P energy: -116.134 tors. eta vs tors. theta energy: -230.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2874.076757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.076757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.076757 (E_RNA) where: Base-Base interactions energy: -2015.000 where: short stacking energy: -859.714 Base-Backbone interact. energy: -1.489 local terms energy: -857.587740 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -143.527 flat angles C4'-P-C4' energy: -189.894 flat angles P-C4'-P energy: -131.637 tors. eta vs tors. theta energy: -249.190 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: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2650.085223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.085223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.085223 (E_RNA) where: Base-Base interactions energy: -1848.881 where: short stacking energy: -808.819 Base-Backbone interact. energy: -2.603 local terms energy: -798.601362 where: bonds (distance) C4'-P energy: -134.807 bonds (distance) P-C4' energy: -159.301 flat angles C4'-P-C4' energy: -175.869 flat angles P-C4'-P energy: -105.243 tors. eta vs tors. theta energy: -223.382 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: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2556.417770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.417770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.417770 (E_RNA) where: Base-Base interactions energy: -1755.273 where: short stacking energy: -745.797 Base-Backbone interact. energy: -1.080 local terms energy: -800.064559 where: bonds (distance) C4'-P energy: -153.588 bonds (distance) P-C4' energy: -168.787 flat angles C4'-P-C4' energy: -176.180 flat angles P-C4'-P energy: -110.071 tors. eta vs tors. theta energy: -191.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2334.234470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.234470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.234470 (E_RNA) where: Base-Base interactions energy: -1577.815 where: short stacking energy: -701.210 Base-Backbone interact. energy: -4.509 local terms energy: -751.910956 where: bonds (distance) C4'-P energy: -149.960 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -158.360 flat angles P-C4'-P energy: -107.396 tors. eta vs tors. theta energy: -174.736 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: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2119.423213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.423213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.423213 (E_RNA) where: Base-Base interactions energy: -1434.214 where: short stacking energy: -573.318 Base-Backbone interact. energy: -4.046 local terms energy: -681.163722 where: bonds (distance) C4'-P energy: -142.111 bonds (distance) P-C4' energy: -137.680 flat angles C4'-P-C4' energy: -162.826 flat angles P-C4'-P energy: -82.671 tors. eta vs tors. theta energy: -155.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1985.120580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.120580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.120580 (E_RNA) where: Base-Base interactions energy: -1349.642 where: short stacking energy: -594.055 Base-Backbone interact. energy: -0.517 local terms energy: -634.962143 where: bonds (distance) C4'-P energy: -123.668 bonds (distance) P-C4' energy: -133.118 flat angles C4'-P-C4' energy: -138.308 flat angles P-C4'-P energy: -106.804 tors. eta vs tors. theta energy: -133.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1504.509536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.509536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.509536 (E_RNA) where: Base-Base interactions energy: -985.225 where: short stacking energy: -477.628 Base-Backbone interact. energy: -0.264 local terms energy: -519.020456 where: bonds (distance) C4'-P energy: -128.516 bonds (distance) P-C4' energy: -118.030 flat angles C4'-P-C4' energy: -130.135 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: -82.559 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: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1168.831118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.831118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.831118 (E_RNA) where: Base-Base interactions energy: -687.281 where: short stacking energy: -317.305 Base-Backbone interact. energy: -0.730 local terms energy: -480.820211 where: bonds (distance) C4'-P energy: -154.124 bonds (distance) P-C4' energy: -117.593 flat angles C4'-P-C4' energy: -126.395 flat angles P-C4'-P energy: -66.795 tors. eta vs tors. theta energy: -15.913 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: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3042.924723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.924723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.924723 (E_RNA) where: Base-Base interactions energy: -2137.884 where: short stacking energy: -887.041 Base-Backbone interact. energy: -1.318 local terms energy: -903.722367 where: bonds (distance) C4'-P energy: -143.141 bonds (distance) P-C4' energy: -177.433 flat angles C4'-P-C4' energy: -200.923 flat angles P-C4'-P energy: -132.548 tors. eta vs tors. theta energy: -249.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2909.945027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.945027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.945027 (E_RNA) where: Base-Base interactions energy: -2042.717 where: short stacking energy: -871.997 Base-Backbone interact. energy: -3.279 local terms energy: -863.949667 where: bonds (distance) C4'-P energy: -168.007 bonds (distance) P-C4' energy: -180.980 flat angles C4'-P-C4' energy: -172.580 flat angles P-C4'-P energy: -111.963 tors. eta vs tors. theta energy: -230.419 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: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2861.386125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.386125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.386125 (E_RNA) where: Base-Base interactions energy: -1982.872 where: short stacking energy: -862.375 Base-Backbone interact. energy: -1.832 local terms energy: -876.682725 where: bonds (distance) C4'-P energy: -155.849 bonds (distance) P-C4' energy: -159.679 flat angles C4'-P-C4' energy: -182.945 flat angles P-C4'-P energy: -132.539 tors. eta vs tors. theta energy: -245.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2640.645057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.645057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.645057 (E_RNA) where: Base-Base interactions energy: -1816.244 where: short stacking energy: -785.433 Base-Backbone interact. energy: 1.466 local terms energy: -825.866653 where: bonds (distance) C4'-P energy: -144.673 bonds (distance) P-C4' energy: -158.610 flat angles C4'-P-C4' energy: -184.564 flat angles P-C4'-P energy: -112.680 tors. eta vs tors. theta energy: -225.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2589.291097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.291097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.291097 (E_RNA) where: Base-Base interactions energy: -1802.943 where: short stacking energy: -819.574 Base-Backbone interact. energy: -0.586 local terms energy: -785.762226 where: bonds (distance) C4'-P energy: -134.656 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -179.605 flat angles P-C4'-P energy: -109.844 tors. eta vs tors. theta energy: -221.470 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: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2347.897805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.897805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.897805 (E_RNA) where: Base-Base interactions energy: -1622.821 where: short stacking energy: -693.129 Base-Backbone interact. energy: 3.036 local terms energy: -728.112162 where: bonds (distance) C4'-P energy: -117.828 bonds (distance) P-C4' energy: -149.699 flat angles C4'-P-C4' energy: -160.573 flat angles P-C4'-P energy: -108.605 tors. eta vs tors. theta energy: -191.408 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: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2126.074283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.074283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.074283 (E_RNA) where: Base-Base interactions energy: -1463.662 where: short stacking energy: -640.842 Base-Backbone interact. energy: -1.007 local terms energy: -661.404441 where: bonds (distance) C4'-P energy: -114.317 bonds (distance) P-C4' energy: -134.422 flat angles C4'-P-C4' energy: -149.507 flat angles P-C4'-P energy: -115.625 tors. eta vs tors. theta energy: -147.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1903.508573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.508573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.508573 (E_RNA) where: Base-Base interactions energy: -1291.668 where: short stacking energy: -579.623 Base-Backbone interact. energy: -2.697 local terms energy: -609.143601 where: bonds (distance) C4'-P energy: -118.764 bonds (distance) P-C4' energy: -135.418 flat angles C4'-P-C4' energy: -153.701 flat angles P-C4'-P energy: -71.066 tors. eta vs tors. theta energy: -130.195 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: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1537.226217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.226217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.226217 (E_RNA) where: Base-Base interactions energy: -992.484 where: short stacking energy: -447.275 Base-Backbone interact. energy: -2.625 local terms energy: -542.117125 where: bonds (distance) C4'-P energy: -111.772 bonds (distance) P-C4' energy: -140.678 flat angles C4'-P-C4' energy: -137.258 flat angles P-C4'-P energy: -90.899 tors. eta vs tors. theta energy: -61.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1162.812351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.812351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.812351 (E_RNA) where: Base-Base interactions energy: -637.821 where: short stacking energy: -304.145 Base-Backbone interact. energy: 0.585 local terms energy: -525.576323 where: bonds (distance) C4'-P energy: -147.100 bonds (distance) P-C4' energy: -137.413 flat angles C4'-P-C4' energy: -131.869 flat angles P-C4'-P energy: -74.877 tors. eta vs tors. theta energy: -34.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3028.415732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.415732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.415732 (E_RNA) where: Base-Base interactions energy: -2139.435 where: short stacking energy: -881.450 Base-Backbone interact. energy: 8.991 local terms energy: -897.971551 where: bonds (distance) C4'-P energy: -163.645 bonds (distance) P-C4' energy: -172.241 flat angles C4'-P-C4' energy: -197.715 flat angles P-C4'-P energy: -120.782 tors. eta vs tors. theta energy: -243.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2918.749078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.749078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.749078 (E_RNA) where: Base-Base interactions energy: -2035.268 where: short stacking energy: -860.808 Base-Backbone interact. energy: -7.240 local terms energy: -876.241757 where: bonds (distance) C4'-P energy: -156.060 bonds (distance) P-C4' energy: -179.835 flat angles C4'-P-C4' energy: -180.878 flat angles P-C4'-P energy: -121.105 tors. eta vs tors. theta energy: -238.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2875.153563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.153563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.153563 (E_RNA) where: Base-Base interactions energy: -1994.195 where: short stacking energy: -871.440 Base-Backbone interact. energy: -3.132 local terms energy: -877.826367 where: bonds (distance) C4'-P energy: -150.178 bonds (distance) P-C4' energy: -166.063 flat angles C4'-P-C4' energy: -178.065 flat angles P-C4'-P energy: -122.335 tors. eta vs tors. theta energy: -261.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2655.862115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.862115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.862115 (E_RNA) where: Base-Base interactions energy: -1816.049 where: short stacking energy: -784.275 Base-Backbone interact. energy: -3.981 local terms energy: -835.832814 where: bonds (distance) C4'-P energy: -168.886 bonds (distance) P-C4' energy: -165.780 flat angles C4'-P-C4' energy: -175.388 flat angles P-C4'-P energy: -111.755 tors. eta vs tors. theta energy: -214.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2552.264142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.264142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.264142 (E_RNA) where: Base-Base interactions energy: -1747.476 where: short stacking energy: -765.069 Base-Backbone interact. energy: -1.731 local terms energy: -803.057627 where: bonds (distance) C4'-P energy: -129.434 bonds (distance) P-C4' energy: -174.634 flat angles C4'-P-C4' energy: -168.846 flat angles P-C4'-P energy: -114.516 tors. eta vs tors. theta energy: -215.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2348.781679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.781679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.781679 (E_RNA) where: Base-Base interactions energy: -1592.704 where: short stacking energy: -683.624 Base-Backbone interact. energy: 0.460 local terms energy: -756.537886 where: bonds (distance) C4'-P energy: -134.282 bonds (distance) P-C4' energy: -157.919 flat angles C4'-P-C4' energy: -167.302 flat angles P-C4'-P energy: -122.100 tors. eta vs tors. theta energy: -174.935 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: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2111.590931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.590931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.590931 (E_RNA) where: Base-Base interactions energy: -1424.397 where: short stacking energy: -609.745 Base-Backbone interact. energy: -0.510 local terms energy: -686.684003 where: bonds (distance) C4'-P energy: -132.428 bonds (distance) P-C4' energy: -134.939 flat angles C4'-P-C4' energy: -171.537 flat angles P-C4'-P energy: -95.664 tors. eta vs tors. theta energy: -152.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1835.685992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.685992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.685992 (E_RNA) where: Base-Base interactions energy: -1228.925 where: short stacking energy: -513.353 Base-Backbone interact. energy: -0.866 local terms energy: -605.895495 where: bonds (distance) C4'-P energy: -145.282 bonds (distance) P-C4' energy: -141.749 flat angles C4'-P-C4' energy: -130.889 flat angles P-C4'-P energy: -89.528 tors. eta vs tors. theta energy: -98.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1487.886511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.886511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.886511 (E_RNA) where: Base-Base interactions energy: -933.246 where: short stacking energy: -416.707 Base-Backbone interact. energy: -4.990 local terms energy: -549.650227 where: bonds (distance) C4'-P energy: -121.259 bonds (distance) P-C4' energy: -139.923 flat angles C4'-P-C4' energy: -141.329 flat angles P-C4'-P energy: -79.356 tors. eta vs tors. theta energy: -67.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1180.499528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.499528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.499528 (E_RNA) where: Base-Base interactions energy: -690.080 where: short stacking energy: -332.376 Base-Backbone interact. energy: 1.308 local terms energy: -491.727634 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -127.289 flat angles C4'-P-C4' energy: -111.648 flat angles P-C4'-P energy: -92.648 tors. eta vs tors. theta energy: -27.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3009.474296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.474296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.474296 (E_RNA) where: Base-Base interactions energy: -2113.835 where: short stacking energy: -879.763 Base-Backbone interact. energy: -1.086 local terms energy: -894.553576 where: bonds (distance) C4'-P energy: -155.222 bonds (distance) P-C4' energy: -170.338 flat angles C4'-P-C4' energy: -192.334 flat angles P-C4'-P energy: -124.515 tors. eta vs tors. theta energy: -252.144 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: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2978.085705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.085705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.085705 (E_RNA) where: Base-Base interactions energy: -2065.384 where: short stacking energy: -909.188 Base-Backbone interact. energy: -0.873 local terms energy: -911.828382 where: bonds (distance) C4'-P energy: -155.451 bonds (distance) P-C4' energy: -161.195 flat angles C4'-P-C4' energy: -187.539 flat angles P-C4'-P energy: -149.017 tors. eta vs tors. theta energy: -258.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2832.276385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.276385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.276385 (E_RNA) where: Base-Base interactions energy: -1975.201 where: short stacking energy: -845.668 Base-Backbone interact. energy: -5.727 local terms energy: -851.348566 where: bonds (distance) C4'-P energy: -159.234 bonds (distance) P-C4' energy: -157.640 flat angles C4'-P-C4' energy: -181.643 flat angles P-C4'-P energy: -117.635 tors. eta vs tors. theta energy: -235.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2669.203656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.203656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.203656 (E_RNA) where: Base-Base interactions energy: -1825.251 where: short stacking energy: -818.083 Base-Backbone interact. energy: -2.934 local terms energy: -841.019141 where: bonds (distance) C4'-P energy: -148.013 bonds (distance) P-C4' energy: -157.050 flat angles C4'-P-C4' energy: -182.428 flat angles P-C4'-P energy: -126.110 tors. eta vs tors. theta energy: -227.418 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: 5, replica: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2551.838577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.838577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.838577 (E_RNA) where: Base-Base interactions energy: -1761.900 where: short stacking energy: -759.257 Base-Backbone interact. energy: -1.387 local terms energy: -788.551677 where: bonds (distance) C4'-P energy: -132.174 bonds (distance) P-C4' energy: -158.653 flat angles C4'-P-C4' energy: -173.686 flat angles P-C4'-P energy: -114.085 tors. eta vs tors. theta energy: -209.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2370.750458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.750458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.750458 (E_RNA) where: Base-Base interactions energy: -1613.819 where: short stacking energy: -720.874 Base-Backbone interact. energy: -2.264 local terms energy: -754.668184 where: bonds (distance) C4'-P energy: -147.634 bonds (distance) P-C4' energy: -146.032 flat angles C4'-P-C4' energy: -172.029 flat angles P-C4'-P energy: -108.177 tors. eta vs tors. theta energy: -180.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2161.626046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.626046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.626046 (E_RNA) where: Base-Base interactions energy: -1522.384 where: short stacking energy: -642.108 Base-Backbone interact. energy: -0.534 local terms energy: -638.707773 where: bonds (distance) C4'-P energy: -135.779 bonds (distance) P-C4' energy: -104.725 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -95.644 tors. eta vs tors. theta energy: -161.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1868.917673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.917673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.917673 (E_RNA) where: Base-Base interactions energy: -1277.985 where: short stacking energy: -560.160 Base-Backbone interact. energy: -2.479 local terms energy: -588.453474 where: bonds (distance) C4'-P energy: -125.560 bonds (distance) P-C4' energy: -128.430 flat angles C4'-P-C4' energy: -119.422 flat angles P-C4'-P energy: -88.325 tors. eta vs tors. theta energy: -126.715 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: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1471.204219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.204219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.204219 (E_RNA) where: Base-Base interactions energy: -940.161 where: short stacking energy: -438.262 Base-Backbone interact. energy: -0.617 local terms energy: -530.426222 where: bonds (distance) C4'-P energy: -111.182 bonds (distance) P-C4' energy: -164.470 flat angles C4'-P-C4' energy: -119.975 flat angles P-C4'-P energy: -60.761 tors. eta vs tors. theta energy: -74.038 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: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1183.758628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.758628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.758628 (E_RNA) where: Base-Base interactions energy: -680.944 where: short stacking energy: -323.452 Base-Backbone interact. energy: -4.770 local terms energy: -498.044439 where: bonds (distance) C4'-P energy: -136.541 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -121.223 flat angles P-C4'-P energy: -85.915 tors. eta vs tors. theta energy: -19.084 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: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3017.971583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.971583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.971583 (E_RNA) where: Base-Base interactions energy: -2112.983 where: short stacking energy: -942.620 Base-Backbone interact. energy: -4.549 local terms energy: -900.439921 where: bonds (distance) C4'-P energy: -147.829 bonds (distance) P-C4' energy: -167.250 flat angles C4'-P-C4' energy: -177.607 flat angles P-C4'-P energy: -128.369 tors. eta vs tors. theta energy: -279.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2926.205150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.205150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.205150 (E_RNA) where: Base-Base interactions energy: -2068.333 where: short stacking energy: -822.407 Base-Backbone interact. energy: -3.073 local terms energy: -854.799122 where: bonds (distance) C4'-P energy: -159.564 bonds (distance) P-C4' energy: -154.786 flat angles C4'-P-C4' energy: -184.013 flat angles P-C4'-P energy: -127.262 tors. eta vs tors. theta energy: -229.174 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: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2796.994802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.994802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.994802 (E_RNA) where: Base-Base interactions energy: -1951.506 where: short stacking energy: -806.373 Base-Backbone interact. energy: -7.106 local terms energy: -838.382861 where: bonds (distance) C4'-P energy: -148.339 bonds (distance) P-C4' energy: -153.417 flat angles C4'-P-C4' energy: -195.419 flat angles P-C4'-P energy: -121.945 tors. eta vs tors. theta energy: -219.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2698.002609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.002609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.002609 (E_RNA) where: Base-Base interactions energy: -1866.760 where: short stacking energy: -822.350 Base-Backbone interact. energy: -2.080 local terms energy: -829.162633 where: bonds (distance) C4'-P energy: -145.164 bonds (distance) P-C4' energy: -147.347 flat angles C4'-P-C4' energy: -179.260 flat angles P-C4'-P energy: -119.626 tors. eta vs tors. theta energy: -237.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2554.235135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.235135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.235135 (E_RNA) where: Base-Base interactions energy: -1760.997 where: short stacking energy: -744.894 Base-Backbone interact. energy: 0.586 local terms energy: -793.823561 where: bonds (distance) C4'-P energy: -156.643 bonds (distance) P-C4' energy: -155.411 flat angles C4'-P-C4' energy: -179.897 flat angles P-C4'-P energy: -105.835 tors. eta vs tors. theta energy: -196.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2407.719781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.719781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.719781 (E_RNA) where: Base-Base interactions energy: -1633.087 where: short stacking energy: -702.156 Base-Backbone interact. energy: -2.997 local terms energy: -771.635082 where: bonds (distance) C4'-P energy: -153.418 bonds (distance) P-C4' energy: -147.650 flat angles C4'-P-C4' energy: -160.433 flat angles P-C4'-P energy: -113.696 tors. eta vs tors. theta energy: -196.439 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: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2005.527047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.527047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.527047 (E_RNA) where: Base-Base interactions energy: -1329.287 where: short stacking energy: -582.504 Base-Backbone interact. energy: 2.659 local terms energy: -678.899034 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -152.774 flat angles C4'-P-C4' energy: -161.624 flat angles P-C4'-P energy: -86.136 tors. eta vs tors. theta energy: -125.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1920.200592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.200592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.200592 (E_RNA) where: Base-Base interactions energy: -1301.028 where: short stacking energy: -566.822 Base-Backbone interact. energy: 0.157 local terms energy: -619.330024 where: bonds (distance) C4'-P energy: -138.448 bonds (distance) P-C4' energy: -140.861 flat angles C4'-P-C4' energy: -134.158 flat angles P-C4'-P energy: -75.246 tors. eta vs tors. theta energy: -130.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1527.102551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.102551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.102551 (E_RNA) where: Base-Base interactions energy: -995.878 where: short stacking energy: -447.545 Base-Backbone interact. energy: -0.379 local terms energy: -530.845744 where: bonds (distance) C4'-P energy: -139.360 bonds (distance) P-C4' energy: -133.247 flat angles C4'-P-C4' energy: -121.172 flat angles P-C4'-P energy: -80.951 tors. eta vs tors. theta energy: -56.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1206.802456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.802456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.802456 (E_RNA) where: Base-Base interactions energy: -704.231 where: short stacking energy: -321.904 Base-Backbone interact. energy: -2.761 local terms energy: -499.810472 where: bonds (distance) C4'-P energy: -139.788 bonds (distance) P-C4' energy: -142.700 flat angles C4'-P-C4' energy: -127.126 flat angles P-C4'-P energy: -83.134 tors. eta vs tors. theta energy: -7.062 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: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3023.391689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.391689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.391689 (E_RNA) where: Base-Base interactions energy: -2071.433 where: short stacking energy: -936.689 Base-Backbone interact. energy: 0.350 local terms energy: -952.309007 where: bonds (distance) C4'-P energy: -164.661 bonds (distance) P-C4' energy: -167.843 flat angles C4'-P-C4' energy: -203.820 flat angles P-C4'-P energy: -142.417 tors. eta vs tors. theta energy: -273.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2928.358201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.358201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.358201 (E_RNA) where: Base-Base interactions energy: -2046.796 where: short stacking energy: -867.631 Base-Backbone interact. energy: -4.063 local terms energy: -877.499469 where: bonds (distance) C4'-P energy: -157.630 bonds (distance) P-C4' energy: -158.743 flat angles C4'-P-C4' energy: -204.041 flat angles P-C4'-P energy: -119.003 tors. eta vs tors. theta energy: -238.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2841.432830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.432830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.432830 (E_RNA) where: Base-Base interactions energy: -2016.779 where: short stacking energy: -839.272 Base-Backbone interact. energy: -3.337 local terms energy: -821.317104 where: bonds (distance) C4'-P energy: -165.570 bonds (distance) P-C4' energy: -143.763 flat angles C4'-P-C4' energy: -174.852 flat angles P-C4'-P energy: -109.645 tors. eta vs tors. theta energy: -227.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2689.401476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.401476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.401476 (E_RNA) where: Base-Base interactions energy: -1860.385 where: short stacking energy: -804.847 Base-Backbone interact. energy: -2.846 local terms energy: -826.170690 where: bonds (distance) C4'-P energy: -150.884 bonds (distance) P-C4' energy: -165.956 flat angles C4'-P-C4' energy: -171.589 flat angles P-C4'-P energy: -103.697 tors. eta vs tors. theta energy: -234.045 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: 353 Temperature: 1.100000 Total energy: -2493.565277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.565277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.565277 (E_RNA) where: Base-Base interactions energy: -1698.243 where: short stacking energy: -721.900 Base-Backbone interact. energy: -2.946 local terms energy: -792.376781 where: bonds (distance) C4'-P energy: -169.678 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -173.377 flat angles P-C4'-P energy: -120.668 tors. eta vs tors. theta energy: -197.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2334.670488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.670488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.670488 (E_RNA) where: Base-Base interactions energy: -1608.773 where: short stacking energy: -662.552 Base-Backbone interact. energy: 4.652 local terms energy: -730.549027 where: bonds (distance) C4'-P energy: -143.864 bonds (distance) P-C4' energy: -146.958 flat angles C4'-P-C4' energy: -150.797 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -180.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1931.741324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.741324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.741324 (E_RNA) where: Base-Base interactions energy: -1285.031 where: short stacking energy: -574.905 Base-Backbone interact. energy: 5.886 local terms energy: -652.596587 where: bonds (distance) C4'-P energy: -132.868 bonds (distance) P-C4' energy: -131.155 flat angles C4'-P-C4' energy: -158.787 flat angles P-C4'-P energy: -95.087 tors. eta vs tors. theta energy: -134.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1900.840861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.840861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.840861 (E_RNA) where: Base-Base interactions energy: -1242.192 where: short stacking energy: -548.841 Base-Backbone interact. energy: 3.699 local terms energy: -662.348443 where: bonds (distance) C4'-P energy: -132.274 bonds (distance) P-C4' energy: -142.689 flat angles C4'-P-C4' energy: -158.474 flat angles P-C4'-P energy: -99.097 tors. eta vs tors. theta energy: -129.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1551.475065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.475065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.475065 (E_RNA) where: Base-Base interactions energy: -1025.382 where: short stacking energy: -456.008 Base-Backbone interact. energy: 3.254 local terms energy: -529.347114 where: bonds (distance) C4'-P energy: -99.197 bonds (distance) P-C4' energy: -132.412 flat angles C4'-P-C4' energy: -135.870 flat angles P-C4'-P energy: -96.590 tors. eta vs tors. theta energy: -65.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1213.332732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.332732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.332732 (E_RNA) where: Base-Base interactions energy: -758.468 where: short stacking energy: -389.076 Base-Backbone interact. energy: -0.457 local terms energy: -454.407341 where: bonds (distance) C4'-P energy: -104.795 bonds (distance) P-C4' energy: -124.721 flat angles C4'-P-C4' energy: -119.607 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -43.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3050.238307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.238307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.238307 (E_RNA) where: Base-Base interactions energy: -2119.293 where: short stacking energy: -916.164 Base-Backbone interact. energy: -2.707 local terms energy: -928.237711 where: bonds (distance) C4'-P energy: -173.797 bonds (distance) P-C4' energy: -160.014 flat angles C4'-P-C4' energy: -197.186 flat angles P-C4'-P energy: -130.417 tors. eta vs tors. theta energy: -266.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2931.746833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.746833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.746833 (E_RNA) where: Base-Base interactions energy: -2051.851 where: short stacking energy: -851.244 Base-Backbone interact. energy: -2.727 local terms energy: -877.169033 where: bonds (distance) C4'-P energy: -158.443 bonds (distance) P-C4' energy: -179.072 flat angles C4'-P-C4' energy: -193.865 flat angles P-C4'-P energy: -121.748 tors. eta vs tors. theta energy: -224.041 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: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2856.012410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.012410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.012410 (E_RNA) where: Base-Base interactions energy: -2005.173 where: short stacking energy: -831.759 Base-Backbone interact. energy: -5.483 local terms energy: -845.356582 where: bonds (distance) C4'-P energy: -148.465 bonds (distance) P-C4' energy: -155.497 flat angles C4'-P-C4' energy: -187.471 flat angles P-C4'-P energy: -122.498 tors. eta vs tors. theta energy: -231.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2703.392835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.392835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.392835 (E_RNA) where: Base-Base interactions energy: -1869.316 where: short stacking energy: -792.759 Base-Backbone interact. energy: -1.346 local terms energy: -832.730838 where: bonds (distance) C4'-P energy: -146.347 bonds (distance) P-C4' energy: -149.841 flat angles C4'-P-C4' energy: -184.393 flat angles P-C4'-P energy: -121.333 tors. eta vs tors. theta energy: -230.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2528.729313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.729313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.729313 (E_RNA) where: Base-Base interactions energy: -1761.507 where: short stacking energy: -777.444 Base-Backbone interact. energy: -2.772 local terms energy: -764.450860 where: bonds (distance) C4'-P energy: -133.160 bonds (distance) P-C4' energy: -146.738 flat angles C4'-P-C4' energy: -171.042 flat angles P-C4'-P energy: -111.574 tors. eta vs tors. theta energy: -201.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2314.577531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.577531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.577531 (E_RNA) where: Base-Base interactions energy: -1568.885 where: short stacking energy: -681.882 Base-Backbone interact. energy: -1.340 local terms energy: -744.352513 where: bonds (distance) C4'-P energy: -139.703 bonds (distance) P-C4' energy: -149.500 flat angles C4'-P-C4' energy: -168.797 flat angles P-C4'-P energy: -108.615 tors. eta vs tors. theta energy: -177.737 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: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1918.470884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.470884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.470884 (E_RNA) where: Base-Base interactions energy: -1226.418 where: short stacking energy: -537.013 Base-Backbone interact. energy: -0.358 local terms energy: -691.694041 where: bonds (distance) C4'-P energy: -147.489 bonds (distance) P-C4' energy: -166.858 flat angles C4'-P-C4' energy: -158.814 flat angles P-C4'-P energy: -96.637 tors. eta vs tors. theta energy: -121.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1987.445619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.445619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.445619 (E_RNA) where: Base-Base interactions energy: -1314.455 where: short stacking energy: -611.975 Base-Backbone interact. energy: 1.983 local terms energy: -674.973936 where: bonds (distance) C4'-P energy: -136.916 bonds (distance) P-C4' energy: -143.093 flat angles C4'-P-C4' energy: -151.222 flat angles P-C4'-P energy: -89.976 tors. eta vs tors. theta energy: -153.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1553.547162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.547162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.547162 (E_RNA) where: Base-Base interactions energy: -987.000 where: short stacking energy: -432.989 Base-Backbone interact. energy: 4.339 local terms energy: -570.886181 where: bonds (distance) C4'-P energy: -137.845 bonds (distance) P-C4' energy: -138.252 flat angles C4'-P-C4' energy: -136.953 flat angles P-C4'-P energy: -84.229 tors. eta vs tors. theta energy: -73.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1197.673349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.673349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.673349 (E_RNA) where: Base-Base interactions energy: -724.318 where: short stacking energy: -356.762 Base-Backbone interact. energy: 1.117 local terms energy: -474.472406 where: bonds (distance) C4'-P energy: -112.579 bonds (distance) P-C4' energy: -140.139 flat angles C4'-P-C4' energy: -127.564 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -37.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3035.805008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.805008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.805008 (E_RNA) where: Base-Base interactions energy: -2128.436 where: short stacking energy: -947.358 Base-Backbone interact. energy: -1.067 local terms energy: -906.302014 where: bonds (distance) C4'-P energy: -176.896 bonds (distance) P-C4' energy: -135.171 flat angles C4'-P-C4' energy: -198.062 flat angles P-C4'-P energy: -126.254 tors. eta vs tors. theta energy: -269.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2920.721275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.721275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.721275 (E_RNA) where: Base-Base interactions energy: -2031.526 where: short stacking energy: -856.424 Base-Backbone interact. energy: -1.065 local terms energy: -888.131192 where: bonds (distance) C4'-P energy: -167.332 bonds (distance) P-C4' energy: -169.529 flat angles C4'-P-C4' energy: -183.960 flat angles P-C4'-P energy: -132.065 tors. eta vs tors. theta energy: -235.244 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: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2842.738108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.738108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.738108 (E_RNA) where: Base-Base interactions energy: -1965.778 where: short stacking energy: -809.776 Base-Backbone interact. energy: -4.795 local terms energy: -872.165038 where: bonds (distance) C4'-P energy: -159.364 bonds (distance) P-C4' energy: -176.619 flat angles C4'-P-C4' energy: -171.048 flat angles P-C4'-P energy: -137.015 tors. eta vs tors. theta energy: -228.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2694.280695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.280695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.280695 (E_RNA) where: Base-Base interactions energy: -1884.877 where: short stacking energy: -836.046 Base-Backbone interact. energy: -1.402 local terms energy: -808.001872 where: bonds (distance) C4'-P energy: -158.454 bonds (distance) P-C4' energy: -153.602 flat angles C4'-P-C4' energy: -168.405 flat angles P-C4'-P energy: -103.368 tors. eta vs tors. theta energy: -224.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2620.699875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.699875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.699875 (E_RNA) where: Base-Base interactions energy: -1809.439 where: short stacking energy: -782.459 Base-Backbone interact. energy: 4.002 local terms energy: -815.262745 where: bonds (distance) C4'-P energy: -138.477 bonds (distance) P-C4' energy: -152.046 flat angles C4'-P-C4' energy: -177.359 flat angles P-C4'-P energy: -120.828 tors. eta vs tors. theta energy: -226.554 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: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2295.087458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.087458 (E_RNA) where: Base-Base interactions energy: -1605.168 where: short stacking energy: -683.747 Base-Backbone interact. energy: -3.332 local terms energy: -686.587168 where: bonds (distance) C4'-P energy: -137.840 bonds (distance) P-C4' energy: -135.466 flat angles C4'-P-C4' energy: -138.729 flat angles P-C4'-P energy: -108.051 tors. eta vs tors. theta energy: -166.502 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: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1938.536840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.536840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.536840 (E_RNA) where: Base-Base interactions energy: -1290.733 where: short stacking energy: -593.241 Base-Backbone interact. energy: -2.776 local terms energy: -645.027906 where: bonds (distance) C4'-P energy: -140.838 bonds (distance) P-C4' energy: -129.547 flat angles C4'-P-C4' energy: -161.282 flat angles P-C4'-P energy: -83.038 tors. eta vs tors. theta energy: -130.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1963.252566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.252566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.252566 (E_RNA) where: Base-Base interactions energy: -1304.710 where: short stacking energy: -615.168 Base-Backbone interact. energy: -0.207 local terms energy: -658.336309 where: bonds (distance) C4'-P energy: -124.609 bonds (distance) P-C4' energy: -140.980 flat angles C4'-P-C4' energy: -147.835 flat angles P-C4'-P energy: -100.952 tors. eta vs tors. theta energy: -143.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1532.551897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.551897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.551897 (E_RNA) where: Base-Base interactions energy: -1018.023 where: short stacking energy: -444.235 Base-Backbone interact. energy: -2.291 local terms energy: -512.238396 where: bonds (distance) C4'-P energy: -138.069 bonds (distance) P-C4' energy: -122.266 flat angles C4'-P-C4' energy: -107.741 flat angles P-C4'-P energy: -78.324 tors. eta vs tors. theta energy: -65.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1159.692736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.692736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.692736 (E_RNA) where: Base-Base interactions energy: -681.523 where: short stacking energy: -298.311 Base-Backbone interact. energy: 3.724 local terms energy: -481.894199 where: bonds (distance) C4'-P energy: -126.572 bonds (distance) P-C4' energy: -150.601 flat angles C4'-P-C4' energy: -121.448 flat angles P-C4'-P energy: -64.140 tors. eta vs tors. theta energy: -19.133 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: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3082.604067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.604067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.604067 (E_RNA) where: Base-Base interactions energy: -2177.221 where: short stacking energy: -935.922 Base-Backbone interact. energy: -3.199 local terms energy: -902.184506 where: bonds (distance) C4'-P energy: -157.026 bonds (distance) P-C4' energy: -160.811 flat angles C4'-P-C4' energy: -192.478 flat angles P-C4'-P energy: -122.653 tors. eta vs tors. theta energy: -269.217 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: 356 Temperature: 0.950000 Total energy: -2932.283680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.283680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.283680 (E_RNA) where: Base-Base interactions energy: -2065.336 where: short stacking energy: -858.678 Base-Backbone interact. energy: -6.020 local terms energy: -860.927593 where: bonds (distance) C4'-P energy: -155.954 bonds (distance) P-C4' energy: -157.015 flat angles C4'-P-C4' energy: -181.755 flat angles P-C4'-P energy: -122.889 tors. eta vs tors. theta energy: -243.315 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: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2794.844022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.844022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.844022 (E_RNA) where: Base-Base interactions energy: -1985.319 where: short stacking energy: -840.855 Base-Backbone interact. energy: -4.413 local terms energy: -805.111856 where: bonds (distance) C4'-P energy: -145.775 bonds (distance) P-C4' energy: -160.737 flat angles C4'-P-C4' energy: -178.731 flat angles P-C4'-P energy: -99.155 tors. eta vs tors. theta energy: -220.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2696.242390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.242390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.242390 (E_RNA) where: Base-Base interactions energy: -1867.382 where: short stacking energy: -824.024 Base-Backbone interact. energy: -3.217 local terms energy: -825.642985 where: bonds (distance) C4'-P energy: -145.150 bonds (distance) P-C4' energy: -159.556 flat angles C4'-P-C4' energy: -183.177 flat angles P-C4'-P energy: -109.087 tors. eta vs tors. theta energy: -228.673 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: 356 Temperature: 1.100000 Total energy: -2574.928266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.928266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.928266 (E_RNA) where: Base-Base interactions energy: -1767.942 where: short stacking energy: -754.505 Base-Backbone interact. energy: -4.289 local terms energy: -802.697206 where: bonds (distance) C4'-P energy: -144.019 bonds (distance) P-C4' energy: -149.520 flat angles C4'-P-C4' energy: -177.086 flat angles P-C4'-P energy: -102.022 tors. eta vs tors. theta energy: -230.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2312.586080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.586080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.586080 (E_RNA) where: Base-Base interactions energy: -1584.036 where: short stacking energy: -651.565 Base-Backbone interact. energy: -0.413 local terms energy: -728.137696 where: bonds (distance) C4'-P energy: -148.585 bonds (distance) P-C4' energy: -139.653 flat angles C4'-P-C4' energy: -169.743 flat angles P-C4'-P energy: -92.090 tors. eta vs tors. theta energy: -178.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2001.812692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.812692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.812692 (E_RNA) where: Base-Base interactions energy: -1347.289 where: short stacking energy: -596.408 Base-Backbone interact. energy: -0.762 local terms energy: -653.761578 where: bonds (distance) C4'-P energy: -136.953 bonds (distance) P-C4' energy: -128.710 flat angles C4'-P-C4' energy: -148.326 flat angles P-C4'-P energy: -97.945 tors. eta vs tors. theta energy: -141.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1882.437033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.437033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.437033 (E_RNA) where: Base-Base interactions energy: -1261.360 where: short stacking energy: -564.992 Base-Backbone interact. energy: -3.509 local terms energy: -617.567487 where: bonds (distance) C4'-P energy: -119.106 bonds (distance) P-C4' energy: -156.991 flat angles C4'-P-C4' energy: -151.930 flat angles P-C4'-P energy: -76.183 tors. eta vs tors. theta energy: -113.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1575.360762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.360762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.360762 (E_RNA) where: Base-Base interactions energy: -1035.598 where: short stacking energy: -448.908 Base-Backbone interact. energy: -2.216 local terms energy: -537.546639 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -131.874 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: -79.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1085.394089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.394089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.394089 (E_RNA) where: Base-Base interactions energy: -623.991 where: short stacking energy: -294.287 Base-Backbone interact. energy: 2.189 local terms energy: -463.591375 where: bonds (distance) C4'-P energy: -123.217 bonds (distance) P-C4' energy: -150.171 flat angles C4'-P-C4' energy: -113.590 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: 0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3040.029366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.029366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.029366 (E_RNA) where: Base-Base interactions energy: -2121.526 where: short stacking energy: -923.892 Base-Backbone interact. energy: -1.536 local terms energy: -916.967775 where: bonds (distance) C4'-P energy: -172.828 bonds (distance) P-C4' energy: -173.461 flat angles C4'-P-C4' energy: -187.964 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -267.205 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: 2, replica: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2941.524140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.524140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.524140 (E_RNA) where: Base-Base interactions energy: -2069.540 where: short stacking energy: -860.004 Base-Backbone interact. energy: -3.720 local terms energy: -868.263696 where: bonds (distance) C4'-P energy: -161.712 bonds (distance) P-C4' energy: -168.750 flat angles C4'-P-C4' energy: -181.239 flat angles P-C4'-P energy: -113.574 tors. eta vs tors. theta energy: -242.988 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: 3, replica: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2849.105166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.105166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.105166 (E_RNA) where: Base-Base interactions energy: -2004.475 where: short stacking energy: -832.915 Base-Backbone interact. energy: -3.557 local terms energy: -841.073133 where: bonds (distance) C4'-P energy: -151.938 bonds (distance) P-C4' energy: -144.786 flat angles C4'-P-C4' energy: -191.249 flat angles P-C4'-P energy: -123.168 tors. eta vs tors. theta energy: -229.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2697.420136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.420136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.420136 (E_RNA) where: Base-Base interactions energy: -1848.480 where: short stacking energy: -821.205 Base-Backbone interact. energy: -1.542 local terms energy: -847.398540 where: bonds (distance) C4'-P energy: -160.390 bonds (distance) P-C4' energy: -158.340 flat angles C4'-P-C4' energy: -177.900 flat angles P-C4'-P energy: -121.407 tors. eta vs tors. theta energy: -229.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2604.941188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.941188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.941188 (E_RNA) where: Base-Base interactions energy: -1784.216 where: short stacking energy: -767.928 Base-Backbone interact. energy: 0.122 local terms energy: -820.847474 where: bonds (distance) C4'-P energy: -152.301 bonds (distance) P-C4' energy: -157.304 flat angles C4'-P-C4' energy: -185.915 flat angles P-C4'-P energy: -102.847 tors. eta vs tors. theta energy: -222.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2264.365142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.365142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.365142 (E_RNA) where: Base-Base interactions energy: -1544.609 where: short stacking energy: -658.379 Base-Backbone interact. energy: 3.664 local terms energy: -723.419905 where: bonds (distance) C4'-P energy: -152.767 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -164.513 flat angles P-C4'-P energy: -82.046 tors. eta vs tors. theta energy: -177.008 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: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1926.593629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.593629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.593629 (E_RNA) where: Base-Base interactions energy: -1299.785 where: short stacking energy: -554.657 Base-Backbone interact. energy: -0.987 local terms energy: -625.821937 where: bonds (distance) C4'-P energy: -126.713 bonds (distance) P-C4' energy: -163.676 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -78.961 tors. eta vs tors. theta energy: -133.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1912.483506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.483506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.483506 (E_RNA) where: Base-Base interactions energy: -1233.337 where: short stacking energy: -544.589 Base-Backbone interact. energy: -1.772 local terms energy: -677.374079 where: bonds (distance) C4'-P energy: -143.294 bonds (distance) P-C4' energy: -140.251 flat angles C4'-P-C4' energy: -160.037 flat angles P-C4'-P energy: -98.875 tors. eta vs tors. theta energy: -134.918 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: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1581.409385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.409385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.409385 (E_RNA) where: Base-Base interactions energy: -1016.291 where: short stacking energy: -439.856 Base-Backbone interact. energy: 1.940 local terms energy: -567.058654 where: bonds (distance) C4'-P energy: -126.208 bonds (distance) P-C4' energy: -135.810 flat angles C4'-P-C4' energy: -147.179 flat angles P-C4'-P energy: -86.017 tors. eta vs tors. theta energy: -71.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1057.513237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.513237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.513237 (E_RNA) where: Base-Base interactions energy: -599.326 where: short stacking energy: -314.503 Base-Backbone interact. energy: -0.348 local terms energy: -457.838963 where: bonds (distance) C4'-P energy: -125.283 bonds (distance) P-C4' energy: -119.888 flat angles C4'-P-C4' energy: -109.663 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -30.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3048.099762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.099762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.099762 (E_RNA) where: Base-Base interactions energy: -2111.695 where: short stacking energy: -915.267 Base-Backbone interact. energy: -5.085 local terms energy: -931.319575 where: bonds (distance) C4'-P energy: -163.441 bonds (distance) P-C4' energy: -172.759 flat angles C4'-P-C4' energy: -198.736 flat angles P-C4'-P energy: -130.015 tors. eta vs tors. theta energy: -266.369 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: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2959.676848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.676848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.676848 (E_RNA) where: Base-Base interactions energy: -2083.764 where: short stacking energy: -876.593 Base-Backbone interact. energy: -2.362 local terms energy: -873.551399 where: bonds (distance) C4'-P energy: -156.694 bonds (distance) P-C4' energy: -169.813 flat angles C4'-P-C4' energy: -191.771 flat angles P-C4'-P energy: -115.893 tors. eta vs tors. theta energy: -239.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2807.178270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.178270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.178270 (E_RNA) where: Base-Base interactions energy: -1980.352 where: short stacking energy: -790.509 Base-Backbone interact. energy: -0.014 local terms energy: -826.812391 where: bonds (distance) C4'-P energy: -156.350 bonds (distance) P-C4' energy: -165.089 flat angles C4'-P-C4' energy: -181.616 flat angles P-C4'-P energy: -115.108 tors. eta vs tors. theta energy: -208.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2702.562897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.562897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.562897 (E_RNA) where: Base-Base interactions energy: -1856.847 where: short stacking energy: -795.200 Base-Backbone interact. energy: -3.333 local terms energy: -842.383099 where: bonds (distance) C4'-P energy: -149.604 bonds (distance) P-C4' energy: -165.711 flat angles C4'-P-C4' energy: -178.688 flat angles P-C4'-P energy: -123.097 tors. eta vs tors. theta energy: -225.283 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: 5, replica: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2592.427087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.427087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.427087 (E_RNA) where: Base-Base interactions energy: -1774.138 where: short stacking energy: -806.246 Base-Backbone interact. energy: -3.211 local terms energy: -815.077932 where: bonds (distance) C4'-P energy: -155.008 bonds (distance) P-C4' energy: -127.818 flat angles C4'-P-C4' energy: -176.267 flat angles P-C4'-P energy: -115.005 tors. eta vs tors. theta energy: -240.979 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: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2202.055614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.055614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.055614 (E_RNA) where: Base-Base interactions energy: -1485.484 where: short stacking energy: -638.013 Base-Backbone interact. energy: -2.440 local terms energy: -714.132125 where: bonds (distance) C4'-P energy: -138.220 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -173.922 flat angles P-C4'-P energy: -105.158 tors. eta vs tors. theta energy: -154.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1909.068005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.068005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.068005 (E_RNA) where: Base-Base interactions energy: -1232.566 where: short stacking energy: -549.580 Base-Backbone interact. energy: -1.284 local terms energy: -675.217381 where: bonds (distance) C4'-P energy: -151.828 bonds (distance) P-C4' energy: -140.767 flat angles C4'-P-C4' energy: -146.393 flat angles P-C4'-P energy: -99.391 tors. eta vs tors. theta energy: -136.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1891.987058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.987058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.987058 (E_RNA) where: Base-Base interactions energy: -1233.034 where: short stacking energy: -549.189 Base-Backbone interact. energy: -4.685 local terms energy: -654.268441 where: bonds (distance) C4'-P energy: -114.613 bonds (distance) P-C4' energy: -160.737 flat angles C4'-P-C4' energy: -154.556 flat angles P-C4'-P energy: -89.380 tors. eta vs tors. theta energy: -134.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1617.734960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.734960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.734960 (E_RNA) where: Base-Base interactions energy: -1059.423 where: short stacking energy: -458.524 Base-Backbone interact. energy: -0.844 local terms energy: -557.467802 where: bonds (distance) C4'-P energy: -144.290 bonds (distance) P-C4' energy: -119.413 flat angles C4'-P-C4' energy: -144.632 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -80.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1071.668333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.668333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.668333 (E_RNA) where: Base-Base interactions energy: -600.245 where: short stacking energy: -306.803 Base-Backbone interact. energy: -0.600 local terms energy: -470.823502 where: bonds (distance) C4'-P energy: -132.280 bonds (distance) P-C4' energy: -135.861 flat angles C4'-P-C4' energy: -127.451 flat angles P-C4'-P energy: -60.768 tors. eta vs tors. theta energy: -14.463 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: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3081.808670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.808670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.808670 (E_RNA) where: Base-Base interactions energy: -2131.160 where: short stacking energy: -946.293 Base-Backbone interact. energy: -2.014 local terms energy: -948.634508 where: bonds (distance) C4'-P energy: -155.924 bonds (distance) P-C4' energy: -176.649 flat angles C4'-P-C4' energy: -201.851 flat angles P-C4'-P energy: -136.128 tors. eta vs tors. theta energy: -278.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2948.120447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.120447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.120447 (E_RNA) where: Base-Base interactions energy: -2070.848 where: short stacking energy: -876.096 Base-Backbone interact. energy: 1.101 local terms energy: -878.373505 where: bonds (distance) C4'-P energy: -156.270 bonds (distance) P-C4' energy: -156.978 flat angles C4'-P-C4' energy: -186.389 flat angles P-C4'-P energy: -135.966 tors. eta vs tors. theta energy: -242.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2832.124221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.124221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.124221 (E_RNA) where: Base-Base interactions energy: -1972.193 where: short stacking energy: -816.450 Base-Backbone interact. energy: -2.682 local terms energy: -857.249299 where: bonds (distance) C4'-P energy: -164.216 bonds (distance) P-C4' energy: -155.497 flat angles C4'-P-C4' energy: -181.653 flat angles P-C4'-P energy: -123.959 tors. eta vs tors. theta energy: -231.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2691.049527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.049527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.049527 (E_RNA) where: Base-Base interactions energy: -1840.312 where: short stacking energy: -808.168 Base-Backbone interact. energy: -1.852 local terms energy: -848.884987 where: bonds (distance) C4'-P energy: -141.605 bonds (distance) P-C4' energy: -168.420 flat angles C4'-P-C4' energy: -181.821 flat angles P-C4'-P energy: -113.039 tors. eta vs tors. theta energy: -244.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2521.849026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.849026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.849026 (E_RNA) where: Base-Base interactions energy: -1741.606 where: short stacking energy: -770.200 Base-Backbone interact. energy: 0.135 local terms energy: -780.378464 where: bonds (distance) C4'-P energy: -149.231 bonds (distance) P-C4' energy: -148.022 flat angles C4'-P-C4' energy: -175.104 flat angles P-C4'-P energy: -95.133 tors. eta vs tors. theta energy: -212.888 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: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2297.053312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.053312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.053312 (E_RNA) where: Base-Base interactions energy: -1584.491 where: short stacking energy: -732.230 Base-Backbone interact. energy: 6.816 local terms energy: -719.378730 where: bonds (distance) C4'-P energy: -135.294 bonds (distance) P-C4' energy: -138.630 flat angles C4'-P-C4' energy: -163.633 flat angles P-C4'-P energy: -93.402 tors. eta vs tors. theta energy: -188.420 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: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1888.942495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.942495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.942495 (E_RNA) where: Base-Base interactions energy: -1201.270 where: short stacking energy: -565.812 Base-Backbone interact. energy: 1.586 local terms energy: -689.258360 where: bonds (distance) C4'-P energy: -149.455 bonds (distance) P-C4' energy: -149.067 flat angles C4'-P-C4' energy: -158.354 flat angles P-C4'-P energy: -106.286 tors. eta vs tors. theta energy: -126.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1823.258713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.258713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.258713 (E_RNA) where: Base-Base interactions energy: -1200.629 where: short stacking energy: -539.007 Base-Backbone interact. energy: -0.712 local terms energy: -621.918246 where: bonds (distance) C4'-P energy: -139.622 bonds (distance) P-C4' energy: -139.080 flat angles C4'-P-C4' energy: -164.290 flat angles P-C4'-P energy: -91.085 tors. eta vs tors. theta energy: -87.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1609.363552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.363552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.363552 (E_RNA) where: Base-Base interactions energy: -1046.681 where: short stacking energy: -465.307 Base-Backbone interact. energy: 0.481 local terms energy: -563.163304 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -162.509 flat angles C4'-P-C4' energy: -130.988 flat angles P-C4'-P energy: -90.731 tors. eta vs tors. theta energy: -75.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1095.175612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.175612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.175612 (E_RNA) where: Base-Base interactions energy: -615.899 where: short stacking energy: -321.934 Base-Backbone interact. energy: -0.606 local terms energy: -478.670407 where: bonds (distance) C4'-P energy: -121.236 bonds (distance) P-C4' energy: -126.483 flat angles C4'-P-C4' energy: -142.055 flat angles P-C4'-P energy: -69.417 tors. eta vs tors. theta energy: -19.479 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: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3067.395599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.395599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.395599 (E_RNA) where: Base-Base interactions energy: -2126.884 where: short stacking energy: -936.309 Base-Backbone interact. energy: -3.143 local terms energy: -937.368312 where: bonds (distance) C4'-P energy: -166.735 bonds (distance) P-C4' energy: -178.172 flat angles C4'-P-C4' energy: -196.660 flat angles P-C4'-P energy: -130.526 tors. eta vs tors. theta energy: -265.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2928.486728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.486728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.486728 (E_RNA) where: Base-Base interactions energy: -2058.035 where: short stacking energy: -865.781 Base-Backbone interact. energy: -4.934 local terms energy: -865.517539 where: bonds (distance) C4'-P energy: -166.451 bonds (distance) P-C4' energy: -151.605 flat angles C4'-P-C4' energy: -182.497 flat angles P-C4'-P energy: -132.121 tors. eta vs tors. theta energy: -232.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2794.923829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.923829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.923829 (E_RNA) where: Base-Base interactions energy: -1963.374 where: short stacking energy: -808.920 Base-Backbone interact. energy: -3.603 local terms energy: -827.947123 where: bonds (distance) C4'-P energy: -154.800 bonds (distance) P-C4' energy: -155.606 flat angles C4'-P-C4' energy: -182.302 flat angles P-C4'-P energy: -122.429 tors. eta vs tors. theta energy: -212.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2699.814815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.814815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.814815 (E_RNA) where: Base-Base interactions energy: -1878.973 where: short stacking energy: -805.795 Base-Backbone interact. energy: -1.405 local terms energy: -819.436777 where: bonds (distance) C4'-P energy: -149.008 bonds (distance) P-C4' energy: -160.909 flat angles C4'-P-C4' energy: -181.760 flat angles P-C4'-P energy: -110.467 tors. eta vs tors. theta energy: -217.293 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: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2554.862971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.862971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.862971 (E_RNA) where: Base-Base interactions energy: -1751.036 where: short stacking energy: -775.034 Base-Backbone interact. energy: 6.660 local terms energy: -810.486758 where: bonds (distance) C4'-P energy: -144.833 bonds (distance) P-C4' energy: -161.936 flat angles C4'-P-C4' energy: -170.585 flat angles P-C4'-P energy: -117.038 tors. eta vs tors. theta energy: -216.095 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: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2326.615875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.615875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.615875 (E_RNA) where: Base-Base interactions energy: -1587.908 where: short stacking energy: -687.599 Base-Backbone interact. energy: -2.758 local terms energy: -735.949414 where: bonds (distance) C4'-P energy: -164.512 bonds (distance) P-C4' energy: -143.908 flat angles C4'-P-C4' energy: -158.506 flat angles P-C4'-P energy: -107.132 tors. eta vs tors. theta energy: -161.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1895.253645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.253645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.253645 (E_RNA) where: Base-Base interactions energy: -1259.196 where: short stacking energy: -558.181 Base-Backbone interact. energy: -2.186 local terms energy: -633.871605 where: bonds (distance) C4'-P energy: -100.508 bonds (distance) P-C4' energy: -159.243 flat angles C4'-P-C4' energy: -140.478 flat angles P-C4'-P energy: -102.641 tors. eta vs tors. theta energy: -131.002 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: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1865.931975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.931975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.931975 (E_RNA) where: Base-Base interactions energy: -1245.365 where: short stacking energy: -566.577 Base-Backbone interact. energy: 0.627 local terms energy: -621.193844 where: bonds (distance) C4'-P energy: -128.063 bonds (distance) P-C4' energy: -142.048 flat angles C4'-P-C4' energy: -143.795 flat angles P-C4'-P energy: -78.549 tors. eta vs tors. theta energy: -128.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1660.394301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.394301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.394301 (E_RNA) where: Base-Base interactions energy: -1077.834 where: short stacking energy: -476.066 Base-Backbone interact. energy: 0.186 local terms energy: -582.746272 where: bonds (distance) C4'-P energy: -134.891 bonds (distance) P-C4' energy: -140.975 flat angles C4'-P-C4' energy: -141.340 flat angles P-C4'-P energy: -79.117 tors. eta vs tors. theta energy: -86.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1038.046362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.046362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.046362 (E_RNA) where: Base-Base interactions energy: -582.330 where: short stacking energy: -311.435 Base-Backbone interact. energy: -6.548 local terms energy: -449.168329 where: bonds (distance) C4'-P energy: -132.054 bonds (distance) P-C4' energy: -132.215 flat angles C4'-P-C4' energy: -106.505 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -16.906 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: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3050.890075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.890075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.890075 (E_RNA) where: Base-Base interactions energy: -2109.663 where: short stacking energy: -935.022 Base-Backbone interact. energy: -2.114 local terms energy: -939.112699 where: bonds (distance) C4'-P energy: -174.276 bonds (distance) P-C4' energy: -172.472 flat angles C4'-P-C4' energy: -187.470 flat angles P-C4'-P energy: -130.284 tors. eta vs tors. theta energy: -274.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2953.882720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.882720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.882720 (E_RNA) where: Base-Base interactions energy: -2074.461 where: short stacking energy: -873.090 Base-Backbone interact. energy: 1.480 local terms energy: -880.901448 where: bonds (distance) C4'-P energy: -162.185 bonds (distance) P-C4' energy: -170.417 flat angles C4'-P-C4' energy: -179.311 flat angles P-C4'-P energy: -126.201 tors. eta vs tors. theta energy: -242.788 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: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2777.933302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.933302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.933302 (E_RNA) where: Base-Base interactions energy: -1937.363 where: short stacking energy: -834.703 Base-Backbone interact. energy: 5.599 local terms energy: -846.169067 where: bonds (distance) C4'-P energy: -160.489 bonds (distance) P-C4' energy: -165.915 flat angles C4'-P-C4' energy: -168.833 flat angles P-C4'-P energy: -127.380 tors. eta vs tors. theta energy: -223.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2677.591445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.591445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.591445 (E_RNA) where: Base-Base interactions energy: -1822.271 where: short stacking energy: -792.781 Base-Backbone interact. energy: -3.895 local terms energy: -851.425211 where: bonds (distance) C4'-P energy: -163.453 bonds (distance) P-C4' energy: -147.295 flat angles C4'-P-C4' energy: -186.291 flat angles P-C4'-P energy: -116.953 tors. eta vs tors. theta energy: -237.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2562.826802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.826802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.826802 (E_RNA) where: Base-Base interactions energy: -1786.143 where: short stacking energy: -762.205 Base-Backbone interact. energy: 3.151 local terms energy: -779.834772 where: bonds (distance) C4'-P energy: -145.781 bonds (distance) P-C4' energy: -147.204 flat angles C4'-P-C4' energy: -179.449 flat angles P-C4'-P energy: -98.562 tors. eta vs tors. theta energy: -208.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2358.566312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.566312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.566312 (E_RNA) where: Base-Base interactions energy: -1565.319 where: short stacking energy: -668.604 Base-Backbone interact. energy: -3.937 local terms energy: -789.310089 where: bonds (distance) C4'-P energy: -144.848 bonds (distance) P-C4' energy: -175.087 flat angles C4'-P-C4' energy: -175.450 flat angles P-C4'-P energy: -113.626 tors. eta vs tors. theta energy: -180.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1898.207490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.207490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.207490 (E_RNA) where: Base-Base interactions energy: -1247.214 where: short stacking energy: -585.398 Base-Backbone interact. energy: -0.039 local terms energy: -650.954207 where: bonds (distance) C4'-P energy: -126.037 bonds (distance) P-C4' energy: -155.943 flat angles C4'-P-C4' energy: -155.958 flat angles P-C4'-P energy: -93.433 tors. eta vs tors. theta energy: -119.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1889.608336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.608336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.608336 (E_RNA) where: Base-Base interactions energy: -1255.866 where: short stacking energy: -563.457 Base-Backbone interact. energy: -1.609 local terms energy: -632.133623 where: bonds (distance) C4'-P energy: -142.313 bonds (distance) P-C4' energy: -121.268 flat angles C4'-P-C4' energy: -151.250 flat angles P-C4'-P energy: -95.478 tors. eta vs tors. theta energy: -121.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1588.681820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.681820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.681820 (E_RNA) where: Base-Base interactions energy: -1035.560 where: short stacking energy: -463.893 Base-Backbone interact. energy: -1.408 local terms energy: -551.714323 where: bonds (distance) C4'-P energy: -118.672 bonds (distance) P-C4' energy: -133.309 flat angles C4'-P-C4' energy: -150.875 flat angles P-C4'-P energy: -80.453 tors. eta vs tors. theta energy: -68.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1060.487329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.487329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.487329 (E_RNA) where: Base-Base interactions energy: -602.644 where: short stacking energy: -343.035 Base-Backbone interact. energy: 4.300 local terms energy: -462.143657 where: bonds (distance) C4'-P energy: -120.526 bonds (distance) P-C4' energy: -129.711 flat angles C4'-P-C4' energy: -114.736 flat angles P-C4'-P energy: -73.696 tors. eta vs tors. theta energy: -23.475 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: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3067.681224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.681224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.681224 (E_RNA) where: Base-Base interactions energy: -2112.767 where: short stacking energy: -936.516 Base-Backbone interact. energy: -2.861 local terms energy: -952.052518 where: bonds (distance) C4'-P energy: -166.728 bonds (distance) P-C4' energy: -188.793 flat angles C4'-P-C4' energy: -200.657 flat angles P-C4'-P energy: -129.083 tors. eta vs tors. theta energy: -266.792 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: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2950.300487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.300487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.300487 (E_RNA) where: Base-Base interactions energy: -2075.773 where: short stacking energy: -862.438 Base-Backbone interact. energy: 4.498 local terms energy: -879.025027 where: bonds (distance) C4'-P energy: -154.827 bonds (distance) P-C4' energy: -163.807 flat angles C4'-P-C4' energy: -175.075 flat angles P-C4'-P energy: -138.959 tors. eta vs tors. theta energy: -246.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2787.466549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.466549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.466549 (E_RNA) where: Base-Base interactions energy: -1962.736 where: short stacking energy: -841.209 Base-Backbone interact. energy: -0.944 local terms energy: -823.785809 where: bonds (distance) C4'-P energy: -148.664 bonds (distance) P-C4' energy: -159.904 flat angles C4'-P-C4' energy: -168.797 flat angles P-C4'-P energy: -131.384 tors. eta vs tors. theta energy: -215.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2657.912134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.912134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.912134 (E_RNA) where: Base-Base interactions energy: -1831.650 where: short stacking energy: -795.397 Base-Backbone interact. energy: -3.286 local terms energy: -822.976501 where: bonds (distance) C4'-P energy: -145.624 bonds (distance) P-C4' energy: -165.479 flat angles C4'-P-C4' energy: -172.919 flat angles P-C4'-P energy: -109.010 tors. eta vs tors. theta energy: -229.944 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: 362 Temperature: 1.100000 Total energy: -2503.191120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.191120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.191120 (E_RNA) where: Base-Base interactions energy: -1757.058 where: short stacking energy: -761.622 Base-Backbone interact. energy: -7.572 local terms energy: -738.561471 where: bonds (distance) C4'-P energy: -138.851 bonds (distance) P-C4' energy: -154.837 flat angles C4'-P-C4' energy: -147.025 flat angles P-C4'-P energy: -98.955 tors. eta vs tors. theta energy: -198.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2345.565032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.565032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.565032 (E_RNA) where: Base-Base interactions energy: -1609.683 where: short stacking energy: -710.903 Base-Backbone interact. energy: -1.879 local terms energy: -734.003052 where: bonds (distance) C4'-P energy: -134.823 bonds (distance) P-C4' energy: -153.001 flat angles C4'-P-C4' energy: -169.443 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -185.267 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: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1985.311845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.311845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.311845 (E_RNA) where: Base-Base interactions energy: -1290.425 where: short stacking energy: -591.636 Base-Backbone interact. energy: 1.189 local terms energy: -696.076521 where: bonds (distance) C4'-P energy: -153.928 bonds (distance) P-C4' energy: -144.608 flat angles C4'-P-C4' energy: -159.357 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -146.580 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: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1832.377451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.377451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.377451 (E_RNA) where: Base-Base interactions energy: -1236.644 where: short stacking energy: -549.140 Base-Backbone interact. energy: -0.222 local terms energy: -595.511079 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -134.727 flat angles C4'-P-C4' energy: -149.838 flat angles P-C4'-P energy: -72.958 tors. eta vs tors. theta energy: -114.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1670.398237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.398237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.398237 (E_RNA) where: Base-Base interactions energy: -1108.784 where: short stacking energy: -471.791 Base-Backbone interact. energy: -2.927 local terms energy: -558.686700 where: bonds (distance) C4'-P energy: -121.518 bonds (distance) P-C4' energy: -131.977 flat angles C4'-P-C4' energy: -127.303 flat angles P-C4'-P energy: -79.774 tors. eta vs tors. theta energy: -98.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1121.525699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.525699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.525699 (E_RNA) where: Base-Base interactions energy: -633.128 where: short stacking energy: -298.410 Base-Backbone interact. energy: 1.508 local terms energy: -489.905853 where: bonds (distance) C4'-P energy: -120.071 bonds (distance) P-C4' energy: -132.851 flat angles C4'-P-C4' energy: -130.649 flat angles P-C4'-P energy: -97.427 tors. eta vs tors. theta energy: -8.908 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: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3066.212889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.212889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.212889 (E_RNA) where: Base-Base interactions energy: -2111.397 where: short stacking energy: -925.201 Base-Backbone interact. energy: -3.177 local terms energy: -951.639535 where: bonds (distance) C4'-P energy: -171.121 bonds (distance) P-C4' energy: -175.347 flat angles C4'-P-C4' energy: -195.321 flat angles P-C4'-P energy: -132.940 tors. eta vs tors. theta energy: -276.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2986.512180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.512180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.512180 (E_RNA) where: Base-Base interactions energy: -2077.045 where: short stacking energy: -877.334 Base-Backbone interact. energy: -2.591 local terms energy: -906.876417 where: bonds (distance) C4'-P energy: -159.634 bonds (distance) P-C4' energy: -168.215 flat angles C4'-P-C4' energy: -200.240 flat angles P-C4'-P energy: -121.728 tors. eta vs tors. theta energy: -257.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2742.903101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.903101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.903101 (E_RNA) where: Base-Base interactions energy: -1896.180 where: short stacking energy: -795.076 Base-Backbone interact. energy: -2.492 local terms energy: -844.231582 where: bonds (distance) C4'-P energy: -161.007 bonds (distance) P-C4' energy: -170.855 flat angles C4'-P-C4' energy: -180.431 flat angles P-C4'-P energy: -121.547 tors. eta vs tors. theta energy: -210.392 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: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2670.138471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.138471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.138471 (E_RNA) where: Base-Base interactions energy: -1868.161 where: short stacking energy: -798.129 Base-Backbone interact. energy: -2.729 local terms energy: -799.248417 where: bonds (distance) C4'-P energy: -151.067 bonds (distance) P-C4' energy: -130.578 flat angles C4'-P-C4' energy: -174.586 flat angles P-C4'-P energy: -122.342 tors. eta vs tors. theta energy: -220.674 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: 5, replica: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2561.313427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.313427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.313427 (E_RNA) where: Base-Base interactions energy: -1773.559 where: short stacking energy: -781.008 Base-Backbone interact. energy: -0.727 local terms energy: -787.027097 where: bonds (distance) C4'-P energy: -136.240 bonds (distance) P-C4' energy: -170.985 flat angles C4'-P-C4' energy: -160.688 flat angles P-C4'-P energy: -95.328 tors. eta vs tors. theta energy: -223.786 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: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2468.625250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.625250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.625250 (E_RNA) where: Base-Base interactions energy: -1720.371 where: short stacking energy: -764.613 Base-Backbone interact. energy: -3.283 local terms energy: -744.971862 where: bonds (distance) C4'-P energy: -138.900 bonds (distance) P-C4' energy: -149.492 flat angles C4'-P-C4' energy: -166.323 flat angles P-C4'-P energy: -88.611 tors. eta vs tors. theta energy: -201.647 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: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2048.125057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.125057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.125057 (E_RNA) where: Base-Base interactions energy: -1369.022 where: short stacking energy: -608.287 Base-Backbone interact. energy: 1.487 local terms energy: -680.589715 where: bonds (distance) C4'-P energy: -140.153 bonds (distance) P-C4' energy: -138.325 flat angles C4'-P-C4' energy: -161.309 flat angles P-C4'-P energy: -115.006 tors. eta vs tors. theta energy: -125.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1769.962397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.962397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.962397 (E_RNA) where: Base-Base interactions energy: -1169.006 where: short stacking energy: -537.346 Base-Backbone interact. energy: 0.767 local terms energy: -601.723579 where: bonds (distance) C4'-P energy: -116.046 bonds (distance) P-C4' energy: -131.165 flat angles C4'-P-C4' energy: -153.504 flat angles P-C4'-P energy: -83.962 tors. eta vs tors. theta energy: -117.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1694.754522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.754522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.754522 (E_RNA) where: Base-Base interactions energy: -1113.092 where: short stacking energy: -469.712 Base-Backbone interact. energy: -3.659 local terms energy: -578.003517 where: bonds (distance) C4'-P energy: -130.459 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -138.624 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: -76.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1200.382630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.382630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.382630 (E_RNA) where: Base-Base interactions energy: -705.466 where: short stacking energy: -345.836 Base-Backbone interact. energy: 2.706 local terms energy: -497.622991 where: bonds (distance) C4'-P energy: -128.210 bonds (distance) P-C4' energy: -146.861 flat angles C4'-P-C4' energy: -119.421 flat angles P-C4'-P energy: -74.248 tors. eta vs tors. theta energy: -28.883 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: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3112.217512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.217512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.217512 (E_RNA) where: Base-Base interactions energy: -2131.795 where: short stacking energy: -951.117 Base-Backbone interact. energy: -3.904 local terms energy: -976.518582 where: bonds (distance) C4'-P energy: -171.028 bonds (distance) P-C4' energy: -183.231 flat angles C4'-P-C4' energy: -203.291 flat angles P-C4'-P energy: -139.452 tors. eta vs tors. theta energy: -279.516 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: 364 Temperature: 0.950000 Total energy: -3014.237201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.237201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.237201 (E_RNA) where: Base-Base interactions energy: -2136.545 where: short stacking energy: -898.062 Base-Backbone interact. energy: -1.796 local terms energy: -875.896119 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -171.243 flat angles C4'-P-C4' energy: -181.874 flat angles P-C4'-P energy: -113.745 tors. eta vs tors. theta energy: -252.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2744.344146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.344146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.344146 (E_RNA) where: Base-Base interactions energy: -1930.498 where: short stacking energy: -817.932 Base-Backbone interact. energy: 0.470 local terms energy: -814.316099 where: bonds (distance) C4'-P energy: -148.996 bonds (distance) P-C4' energy: -151.501 flat angles C4'-P-C4' energy: -179.810 flat angles P-C4'-P energy: -117.462 tors. eta vs tors. theta energy: -216.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2711.594787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.594787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.594787 (E_RNA) where: Base-Base interactions energy: -1888.678 where: short stacking energy: -812.270 Base-Backbone interact. energy: -3.247 local terms energy: -819.669444 where: bonds (distance) C4'-P energy: -161.944 bonds (distance) P-C4' energy: -150.215 flat angles C4'-P-C4' energy: -171.038 flat angles P-C4'-P energy: -117.833 tors. eta vs tors. theta energy: -218.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2568.293867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.293867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.293867 (E_RNA) where: Base-Base interactions energy: -1766.592 where: short stacking energy: -791.453 Base-Backbone interact. energy: -2.818 local terms energy: -798.884812 where: bonds (distance) C4'-P energy: -150.072 bonds (distance) P-C4' energy: -159.808 flat angles C4'-P-C4' energy: -173.514 flat angles P-C4'-P energy: -98.545 tors. eta vs tors. theta energy: -216.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2425.727117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.727117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.727117 (E_RNA) where: Base-Base interactions energy: -1654.313 where: short stacking energy: -721.570 Base-Backbone interact. energy: -2.586 local terms energy: -768.828779 where: bonds (distance) C4'-P energy: -150.565 bonds (distance) P-C4' energy: -157.131 flat angles C4'-P-C4' energy: -148.879 flat angles P-C4'-P energy: -116.117 tors. eta vs tors. theta energy: -196.136 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: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2038.512553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.512553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.512553 (E_RNA) where: Base-Base interactions energy: -1362.882 where: short stacking energy: -621.215 Base-Backbone interact. energy: -1.033 local terms energy: -674.597061 where: bonds (distance) C4'-P energy: -141.748 bonds (distance) P-C4' energy: -143.915 flat angles C4'-P-C4' energy: -154.613 flat angles P-C4'-P energy: -79.572 tors. eta vs tors. theta energy: -154.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1767.756284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.756284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.756284 (E_RNA) where: Base-Base interactions energy: -1197.670 where: short stacking energy: -535.949 Base-Backbone interact. energy: 2.377 local terms energy: -572.462822 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -116.687 flat angles C4'-P-C4' energy: -135.465 flat angles P-C4'-P energy: -89.637 tors. eta vs tors. theta energy: -107.176 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: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1653.399253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.399253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.399253 (E_RNA) where: Base-Base interactions energy: -1086.733 where: short stacking energy: -465.982 Base-Backbone interact. energy: -0.956 local terms energy: -565.710411 where: bonds (distance) C4'-P energy: -128.597 bonds (distance) P-C4' energy: -144.113 flat angles C4'-P-C4' energy: -144.029 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -68.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1224.180018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.180018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.180018 (E_RNA) where: Base-Base interactions energy: -728.929 where: short stacking energy: -341.831 Base-Backbone interact. energy: -3.368 local terms energy: -491.882943 where: bonds (distance) C4'-P energy: -149.637 bonds (distance) P-C4' energy: -157.448 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -54.792 tors. eta vs tors. theta energy: -22.559 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: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3073.356991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.356991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.356991 (E_RNA) where: Base-Base interactions energy: -2148.280 where: short stacking energy: -929.712 Base-Backbone interact. energy: -0.866 local terms energy: -924.210579 where: bonds (distance) C4'-P energy: -170.989 bonds (distance) P-C4' energy: -160.355 flat angles C4'-P-C4' energy: -181.656 flat angles P-C4'-P energy: -144.367 tors. eta vs tors. theta energy: -266.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2985.893522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.893522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.893522 (E_RNA) where: Base-Base interactions energy: -2100.155 where: short stacking energy: -882.605 Base-Backbone interact. energy: -5.141 local terms energy: -880.597942 where: bonds (distance) C4'-P energy: -165.850 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -180.732 flat angles P-C4'-P energy: -121.883 tors. eta vs tors. theta energy: -245.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2750.725891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.725891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.725891 (E_RNA) where: Base-Base interactions energy: -1918.072 where: short stacking energy: -791.390 Base-Backbone interact. energy: -2.889 local terms energy: -829.765207 where: bonds (distance) C4'-P energy: -153.237 bonds (distance) P-C4' energy: -163.596 flat angles C4'-P-C4' energy: -183.815 flat angles P-C4'-P energy: -129.432 tors. eta vs tors. theta energy: -199.686 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: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2626.826885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.826885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.826885 (E_RNA) where: Base-Base interactions energy: -1810.801 where: short stacking energy: -806.681 Base-Backbone interact. energy: -1.981 local terms energy: -814.044643 where: bonds (distance) C4'-P energy: -148.638 bonds (distance) P-C4' energy: -158.043 flat angles C4'-P-C4' energy: -185.743 flat angles P-C4'-P energy: -105.563 tors. eta vs tors. theta energy: -216.058 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: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2547.296464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.296464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.296464 (E_RNA) where: Base-Base interactions energy: -1751.236 where: short stacking energy: -769.815 Base-Backbone interact. energy: -0.220 local terms energy: -795.840219 where: bonds (distance) C4'-P energy: -151.827 bonds (distance) P-C4' energy: -159.591 flat angles C4'-P-C4' energy: -172.091 flat angles P-C4'-P energy: -102.949 tors. eta vs tors. theta energy: -209.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2347.801004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.801004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.801004 (E_RNA) where: Base-Base interactions energy: -1599.344 where: short stacking energy: -717.710 Base-Backbone interact. energy: 3.380 local terms energy: -751.836736 where: bonds (distance) C4'-P energy: -153.493 bonds (distance) P-C4' energy: -154.153 flat angles C4'-P-C4' energy: -166.934 flat angles P-C4'-P energy: -89.534 tors. eta vs tors. theta energy: -187.723 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: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2058.300587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.300587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.300587 (E_RNA) where: Base-Base interactions energy: -1365.500 where: short stacking energy: -615.573 Base-Backbone interact. energy: 3.235 local terms energy: -696.035517 where: bonds (distance) C4'-P energy: -151.186 bonds (distance) P-C4' energy: -134.669 flat angles C4'-P-C4' energy: -148.618 flat angles P-C4'-P energy: -104.334 tors. eta vs tors. theta energy: -157.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1840.767333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.767333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.767333 (E_RNA) where: Base-Base interactions energy: -1206.386 where: short stacking energy: -541.881 Base-Backbone interact. energy: 5.185 local terms energy: -639.567214 where: bonds (distance) C4'-P energy: -131.130 bonds (distance) P-C4' energy: -163.548 flat angles C4'-P-C4' energy: -134.534 flat angles P-C4'-P energy: -92.610 tors. eta vs tors. theta energy: -117.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1595.953898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.953898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.953898 (E_RNA) where: Base-Base interactions energy: -1040.160 where: short stacking energy: -480.208 Base-Backbone interact. energy: 4.901 local terms energy: -560.695669 where: bonds (distance) C4'-P energy: -120.275 bonds (distance) P-C4' energy: -150.317 flat angles C4'-P-C4' energy: -123.490 flat angles P-C4'-P energy: -82.126 tors. eta vs tors. theta energy: -84.489 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: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1150.591701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.591701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.591701 (E_RNA) where: Base-Base interactions energy: -714.434 where: short stacking energy: -355.411 Base-Backbone interact. energy: 6.010 local terms energy: -442.167388 where: bonds (distance) C4'-P energy: -138.419 bonds (distance) P-C4' energy: -119.168 flat angles C4'-P-C4' energy: -133.685 flat angles P-C4'-P energy: -32.098 tors. eta vs tors. theta energy: -18.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3086.983509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.983509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.983509 (E_RNA) where: Base-Base interactions energy: -2158.069 where: short stacking energy: -903.388 Base-Backbone interact. energy: -3.554 local terms energy: -925.361051 where: bonds (distance) C4'-P energy: -153.138 bonds (distance) P-C4' energy: -171.500 flat angles C4'-P-C4' energy: -195.965 flat angles P-C4'-P energy: -136.742 tors. eta vs tors. theta energy: -268.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2999.528173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.528173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.528173 (E_RNA) where: Base-Base interactions energy: -2124.690 where: short stacking energy: -881.562 Base-Backbone interact. energy: -4.682 local terms energy: -870.156272 where: bonds (distance) C4'-P energy: -154.528 bonds (distance) P-C4' energy: -158.496 flat angles C4'-P-C4' energy: -188.497 flat angles P-C4'-P energy: -132.049 tors. eta vs tors. theta energy: -236.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2763.586000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.586000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.586000 (E_RNA) where: Base-Base interactions energy: -1925.967 where: short stacking energy: -814.648 Base-Backbone interact. energy: -3.691 local terms energy: -833.927773 where: bonds (distance) C4'-P energy: -168.160 bonds (distance) P-C4' energy: -147.417 flat angles C4'-P-C4' energy: -176.641 flat angles P-C4'-P energy: -124.444 tors. eta vs tors. theta energy: -217.266 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: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2642.129037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.129037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.129037 (E_RNA) where: Base-Base interactions energy: -1852.777 where: short stacking energy: -759.990 Base-Backbone interact. energy: -5.547 local terms energy: -783.805165 where: bonds (distance) C4'-P energy: -145.888 bonds (distance) P-C4' energy: -149.604 flat angles C4'-P-C4' energy: -182.694 flat angles P-C4'-P energy: -104.502 tors. eta vs tors. theta energy: -201.118 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: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2533.557228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.557228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.557228 (E_RNA) where: Base-Base interactions energy: -1735.733 where: short stacking energy: -743.114 Base-Backbone interact. energy: -2.759 local terms energy: -795.064739 where: bonds (distance) C4'-P energy: -139.446 bonds (distance) P-C4' energy: -157.288 flat angles C4'-P-C4' energy: -181.902 flat angles P-C4'-P energy: -111.976 tors. eta vs tors. theta energy: -204.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2320.783164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.783164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.783164 (E_RNA) where: Base-Base interactions energy: -1577.905 where: short stacking energy: -702.692 Base-Backbone interact. energy: 1.124 local terms energy: -744.002734 where: bonds (distance) C4'-P energy: -133.448 bonds (distance) P-C4' energy: -162.092 flat angles C4'-P-C4' energy: -159.876 flat angles P-C4'-P energy: -107.885 tors. eta vs tors. theta energy: -180.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2015.736895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.736895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.736895 (E_RNA) where: Base-Base interactions energy: -1374.909 where: short stacking energy: -604.273 Base-Backbone interact. energy: 0.884 local terms energy: -641.711227 where: bonds (distance) C4'-P energy: -125.659 bonds (distance) P-C4' energy: -135.122 flat angles C4'-P-C4' energy: -151.221 flat angles P-C4'-P energy: -89.889 tors. eta vs tors. theta energy: -139.821 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: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1941.726375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.726375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.726375 (E_RNA) where: Base-Base interactions energy: -1299.105 where: short stacking energy: -559.399 Base-Backbone interact. energy: -2.886 local terms energy: -639.736185 where: bonds (distance) C4'-P energy: -134.114 bonds (distance) P-C4' energy: -129.914 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -88.311 tors. eta vs tors. theta energy: -138.776 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: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1584.534417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.534417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.534417 (E_RNA) where: Base-Base interactions energy: -1028.694 where: short stacking energy: -471.236 Base-Backbone interact. energy: -2.015 local terms energy: -553.825822 where: bonds (distance) C4'-P energy: -139.807 bonds (distance) P-C4' energy: -131.810 flat angles C4'-P-C4' energy: -147.381 flat angles P-C4'-P energy: -71.721 tors. eta vs tors. theta energy: -63.107 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: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1190.925595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.925595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.925595 (E_RNA) where: Base-Base interactions energy: -726.953 where: short stacking energy: -343.548 Base-Backbone interact. energy: 1.444 local terms energy: -465.416525 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -132.402 flat angles C4'-P-C4' energy: -134.065 flat angles P-C4'-P energy: -54.541 tors. eta vs tors. theta energy: -27.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3064.104928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.104928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.104928 (E_RNA) where: Base-Base interactions energy: -2167.676 where: short stacking energy: -927.628 Base-Backbone interact. energy: -1.561 local terms energy: -894.867253 where: bonds (distance) C4'-P energy: -159.584 bonds (distance) P-C4' energy: -156.744 flat angles C4'-P-C4' energy: -193.659 flat angles P-C4'-P energy: -131.513 tors. eta vs tors. theta energy: -253.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2999.908741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.908741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.908741 (E_RNA) where: Base-Base interactions energy: -2092.461 where: short stacking energy: -891.384 Base-Backbone interact. energy: -5.943 local terms energy: -901.505142 where: bonds (distance) C4'-P energy: -166.522 bonds (distance) P-C4' energy: -147.060 flat angles C4'-P-C4' energy: -203.319 flat angles P-C4'-P energy: -130.809 tors. eta vs tors. theta energy: -253.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2777.671659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.671659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.671659 (E_RNA) where: Base-Base interactions energy: -1905.528 where: short stacking energy: -815.500 Base-Backbone interact. energy: -2.707 local terms energy: -869.436542 where: bonds (distance) C4'-P energy: -157.649 bonds (distance) P-C4' energy: -173.195 flat angles C4'-P-C4' energy: -180.707 flat angles P-C4'-P energy: -132.518 tors. eta vs tors. theta energy: -225.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2702.656288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.656288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.656288 (E_RNA) where: Base-Base interactions energy: -1828.270 where: short stacking energy: -803.807 Base-Backbone interact. energy: -0.339 local terms energy: -874.047431 where: bonds (distance) C4'-P energy: -171.649 bonds (distance) P-C4' energy: -165.691 flat angles C4'-P-C4' energy: -185.635 flat angles P-C4'-P energy: -116.294 tors. eta vs tors. theta energy: -234.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2530.630061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.630061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.630061 (E_RNA) where: Base-Base interactions energy: -1733.793 where: short stacking energy: -730.330 Base-Backbone interact. energy: -4.703 local terms energy: -792.134374 where: bonds (distance) C4'-P energy: -135.959 bonds (distance) P-C4' energy: -152.166 flat angles C4'-P-C4' energy: -177.105 flat angles P-C4'-P energy: -108.834 tors. eta vs tors. theta energy: -218.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2369.161888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.161888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.161888 (E_RNA) where: Base-Base interactions energy: -1621.636 where: short stacking energy: -712.364 Base-Backbone interact. energy: -0.320 local terms energy: -747.205773 where: bonds (distance) C4'-P energy: -142.987 bonds (distance) P-C4' energy: -153.629 flat angles C4'-P-C4' energy: -166.840 flat angles P-C4'-P energy: -107.217 tors. eta vs tors. theta energy: -176.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1977.605376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.605376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.605376 (E_RNA) where: Base-Base interactions energy: -1289.564 where: short stacking energy: -590.410 Base-Backbone interact. energy: -3.178 local terms energy: -684.863592 where: bonds (distance) C4'-P energy: -144.948 bonds (distance) P-C4' energy: -137.168 flat angles C4'-P-C4' energy: -140.474 flat angles P-C4'-P energy: -100.357 tors. eta vs tors. theta energy: -161.917 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: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1895.915067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.915067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.915067 (E_RNA) where: Base-Base interactions energy: -1235.482 where: short stacking energy: -522.416 Base-Backbone interact. energy: -4.584 local terms energy: -655.848990 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -146.626 flat angles P-C4'-P energy: -121.524 tors. eta vs tors. theta energy: -113.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1519.735838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.735838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.735838 (E_RNA) where: Base-Base interactions energy: -983.544 where: short stacking energy: -437.384 Base-Backbone interact. energy: 0.634 local terms energy: -536.825815 where: bonds (distance) C4'-P energy: -131.504 bonds (distance) P-C4' energy: -147.136 flat angles C4'-P-C4' energy: -126.558 flat angles P-C4'-P energy: -64.106 tors. eta vs tors. theta energy: -67.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1202.270822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.270822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.270822 (E_RNA) where: Base-Base interactions energy: -663.019 where: short stacking energy: -337.187 Base-Backbone interact. energy: 1.519 local terms energy: -540.770649 where: bonds (distance) C4'-P energy: -155.607 bonds (distance) P-C4' energy: -143.798 flat angles C4'-P-C4' energy: -135.493 flat angles P-C4'-P energy: -73.217 tors. eta vs tors. theta energy: -32.656 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: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3070.959739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.959739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.959739 (E_RNA) where: Base-Base interactions energy: -2184.751 where: short stacking energy: -935.266 Base-Backbone interact. energy: -5.101 local terms energy: -881.106915 where: bonds (distance) C4'-P energy: -168.113 bonds (distance) P-C4' energy: -131.336 flat angles C4'-P-C4' energy: -198.645 flat angles P-C4'-P energy: -133.584 tors. eta vs tors. theta energy: -249.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2982.975613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.975613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.975613 (E_RNA) where: Base-Base interactions energy: -2111.662 where: short stacking energy: -893.583 Base-Backbone interact. energy: -3.550 local terms energy: -867.763769 where: bonds (distance) C4'-P energy: -166.717 bonds (distance) P-C4' energy: -155.999 flat angles C4'-P-C4' energy: -186.092 flat angles P-C4'-P energy: -113.710 tors. eta vs tors. theta energy: -245.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2756.570345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.570345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.570345 (E_RNA) where: Base-Base interactions energy: -1950.791 where: short stacking energy: -816.986 Base-Backbone interact. energy: 1.740 local terms energy: -807.519841 where: bonds (distance) C4'-P energy: -148.605 bonds (distance) P-C4' energy: -172.180 flat angles C4'-P-C4' energy: -166.327 flat angles P-C4'-P energy: -118.633 tors. eta vs tors. theta energy: -201.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2669.224074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.224074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.224074 (E_RNA) where: Base-Base interactions energy: -1857.614 where: short stacking energy: -813.867 Base-Backbone interact. energy: -3.310 local terms energy: -808.300122 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -156.806 flat angles C4'-P-C4' energy: -172.202 flat angles P-C4'-P energy: -107.551 tors. eta vs tors. theta energy: -224.773 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: 368 Temperature: 1.100000 Total energy: -2490.801880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.801880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.801880 (E_RNA) where: Base-Base interactions energy: -1711.798 where: short stacking energy: -739.616 Base-Backbone interact. energy: -7.938 local terms energy: -771.066066 where: bonds (distance) C4'-P energy: -151.802 bonds (distance) P-C4' energy: -158.422 flat angles C4'-P-C4' energy: -174.217 flat angles P-C4'-P energy: -87.978 tors. eta vs tors. theta energy: -198.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2428.111845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.111845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.111845 (E_RNA) where: Base-Base interactions energy: -1667.905 where: short stacking energy: -719.136 Base-Backbone interact. energy: -0.813 local terms energy: -759.393301 where: bonds (distance) C4'-P energy: -149.478 bonds (distance) P-C4' energy: -157.586 flat angles C4'-P-C4' energy: -158.750 flat angles P-C4'-P energy: -105.973 tors. eta vs tors. theta energy: -187.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2031.168827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.168827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.168827 (E_RNA) where: Base-Base interactions energy: -1357.932 where: short stacking energy: -617.676 Base-Backbone interact. energy: 1.173 local terms energy: -674.410262 where: bonds (distance) C4'-P energy: -147.598 bonds (distance) P-C4' energy: -147.902 flat angles C4'-P-C4' energy: -138.394 flat angles P-C4'-P energy: -98.771 tors. eta vs tors. theta energy: -141.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1858.160520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.160520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.160520 (E_RNA) where: Base-Base interactions energy: -1237.075 where: short stacking energy: -497.825 Base-Backbone interact. energy: 0.421 local terms energy: -621.507055 where: bonds (distance) C4'-P energy: -129.311 bonds (distance) P-C4' energy: -153.155 flat angles C4'-P-C4' energy: -141.818 flat angles P-C4'-P energy: -100.223 tors. eta vs tors. theta energy: -97.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1589.921328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.921328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.921328 (E_RNA) where: Base-Base interactions energy: -1000.453 where: short stacking energy: -463.790 Base-Backbone interact. energy: 1.282 local terms energy: -590.750517 where: bonds (distance) C4'-P energy: -132.151 bonds (distance) P-C4' energy: -150.127 flat angles C4'-P-C4' energy: -150.418 flat angles P-C4'-P energy: -81.954 tors. eta vs tors. theta energy: -76.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1180.172202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.172202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.172202 (E_RNA) where: Base-Base interactions energy: -708.537 where: short stacking energy: -338.831 Base-Backbone interact. energy: 1.337 local terms energy: -472.972153 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -102.781 flat angles C4'-P-C4' energy: -140.448 flat angles P-C4'-P energy: -63.656 tors. eta vs tors. theta energy: -29.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3091.618423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.618423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.618423 (E_RNA) where: Base-Base interactions energy: -2163.235 where: short stacking energy: -928.856 Base-Backbone interact. energy: -1.198 local terms energy: -927.185375 where: bonds (distance) C4'-P energy: -154.132 bonds (distance) P-C4' energy: -177.394 flat angles C4'-P-C4' energy: -203.503 flat angles P-C4'-P energy: -129.444 tors. eta vs tors. theta energy: -262.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -3008.004707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.004707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.004707 (E_RNA) where: Base-Base interactions energy: -2096.727 where: short stacking energy: -885.843 Base-Backbone interact. energy: -4.525 local terms energy: -906.752607 where: bonds (distance) C4'-P energy: -160.578 bonds (distance) P-C4' energy: -155.896 flat angles C4'-P-C4' energy: -198.055 flat angles P-C4'-P energy: -130.109 tors. eta vs tors. theta energy: -262.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2768.639964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.639964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.639964 (E_RNA) where: Base-Base interactions energy: -1946.289 where: short stacking energy: -803.401 Base-Backbone interact. energy: -2.135 local terms energy: -820.215815 where: bonds (distance) C4'-P energy: -143.007 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -182.626 flat angles P-C4'-P energy: -124.255 tors. eta vs tors. theta energy: -213.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2682.776308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.776308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.776308 (E_RNA) where: Base-Base interactions energy: -1854.347 where: short stacking energy: -792.622 Base-Backbone interact. energy: -4.227 local terms energy: -824.202136 where: bonds (distance) C4'-P energy: -146.588 bonds (distance) P-C4' energy: -152.567 flat angles C4'-P-C4' energy: -174.597 flat angles P-C4'-P energy: -130.402 tors. eta vs tors. theta energy: -220.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2556.324463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.324463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.324463 (E_RNA) where: Base-Base interactions energy: -1751.890 where: short stacking energy: -744.354 Base-Backbone interact. energy: 0.457 local terms energy: -804.891577 where: bonds (distance) C4'-P energy: -155.420 bonds (distance) P-C4' energy: -153.700 flat angles C4'-P-C4' energy: -171.799 flat angles P-C4'-P energy: -113.441 tors. eta vs tors. theta energy: -210.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2323.720802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.720802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.720802 (E_RNA) where: Base-Base interactions energy: -1568.807 where: short stacking energy: -685.195 Base-Backbone interact. energy: -2.562 local terms energy: -752.351536 where: bonds (distance) C4'-P energy: -150.122 bonds (distance) P-C4' energy: -152.485 flat angles C4'-P-C4' energy: -164.677 flat angles P-C4'-P energy: -112.409 tors. eta vs tors. theta energy: -172.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1953.154060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.154060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.154060 (E_RNA) where: Base-Base interactions energy: -1268.446 where: short stacking energy: -560.370 Base-Backbone interact. energy: -1.344 local terms energy: -683.364484 where: bonds (distance) C4'-P energy: -137.494 bonds (distance) P-C4' energy: -127.382 flat angles C4'-P-C4' energy: -172.282 flat angles P-C4'-P energy: -103.596 tors. eta vs tors. theta energy: -142.611 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: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1849.215973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.215973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.215973 (E_RNA) where: Base-Base interactions energy: -1235.721 where: short stacking energy: -530.722 Base-Backbone interact. energy: -5.055 local terms energy: -608.439725 where: bonds (distance) C4'-P energy: -119.609 bonds (distance) P-C4' energy: -129.310 flat angles C4'-P-C4' energy: -152.575 flat angles P-C4'-P energy: -90.408 tors. eta vs tors. theta energy: -116.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1599.025694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.025694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.025694 (E_RNA) where: Base-Base interactions energy: -1014.160 where: short stacking energy: -430.021 Base-Backbone interact. energy: -1.051 local terms energy: -583.815232 where: bonds (distance) C4'-P energy: -132.294 bonds (distance) P-C4' energy: -142.464 flat angles C4'-P-C4' energy: -132.023 flat angles P-C4'-P energy: -101.348 tors. eta vs tors. theta energy: -75.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1145.987201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.987201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.987201 (E_RNA) where: Base-Base interactions energy: -675.984 where: short stacking energy: -308.227 Base-Backbone interact. energy: 6.675 local terms energy: -476.678759 where: bonds (distance) C4'-P energy: -111.750 bonds (distance) P-C4' energy: -152.314 flat angles C4'-P-C4' energy: -108.748 flat angles P-C4'-P energy: -78.810 tors. eta vs tors. theta energy: -25.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3061.097920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.097920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.097920 (E_RNA) where: Base-Base interactions energy: -2151.771 where: short stacking energy: -932.895 Base-Backbone interact. energy: 2.383 local terms energy: -911.710493 where: bonds (distance) C4'-P energy: -159.127 bonds (distance) P-C4' energy: -158.124 flat angles C4'-P-C4' energy: -193.176 flat angles P-C4'-P energy: -140.650 tors. eta vs tors. theta energy: -260.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2976.497479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.497479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.497479 (E_RNA) where: Base-Base interactions energy: -2076.325 where: short stacking energy: -882.436 Base-Backbone interact. energy: -2.411 local terms energy: -897.762123 where: bonds (distance) C4'-P energy: -155.993 bonds (distance) P-C4' energy: -162.676 flat angles C4'-P-C4' energy: -197.565 flat angles P-C4'-P energy: -129.317 tors. eta vs tors. theta energy: -252.212 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2759.675402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.675402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.675402 (E_RNA) where: Base-Base interactions energy: -1932.467 where: short stacking energy: -776.346 Base-Backbone interact. energy: -4.794 local terms energy: -822.414808 where: bonds (distance) C4'-P energy: -155.073 bonds (distance) P-C4' energy: -153.022 flat angles C4'-P-C4' energy: -184.213 flat angles P-C4'-P energy: -128.982 tors. eta vs tors. theta energy: -201.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2660.669147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.669147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.669147 (E_RNA) where: Base-Base interactions energy: -1861.632 where: short stacking energy: -800.289 Base-Backbone interact. energy: -1.486 local terms energy: -797.551862 where: bonds (distance) C4'-P energy: -145.751 bonds (distance) P-C4' energy: -157.339 flat angles C4'-P-C4' energy: -174.209 flat angles P-C4'-P energy: -105.683 tors. eta vs tors. theta energy: -214.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2577.770189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.770189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.770189 (E_RNA) where: Base-Base interactions energy: -1779.138 where: short stacking energy: -759.114 Base-Backbone interact. energy: -1.162 local terms energy: -797.470192 where: bonds (distance) C4'-P energy: -124.780 bonds (distance) P-C4' energy: -156.884 flat angles C4'-P-C4' energy: -176.236 flat angles P-C4'-P energy: -122.894 tors. eta vs tors. theta energy: -216.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2330.869073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.869073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.869073 (E_RNA) where: Base-Base interactions energy: -1619.999 where: short stacking energy: -722.860 Base-Backbone interact. energy: 2.684 local terms energy: -713.553774 where: bonds (distance) C4'-P energy: -147.765 bonds (distance) P-C4' energy: -125.765 flat angles C4'-P-C4' energy: -158.053 flat angles P-C4'-P energy: -97.143 tors. eta vs tors. theta energy: -184.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2059.835515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.835515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.835515 (E_RNA) where: Base-Base interactions energy: -1374.749 where: short stacking energy: -619.407 Base-Backbone interact. energy: -5.990 local terms energy: -679.097338 where: bonds (distance) C4'-P energy: -120.899 bonds (distance) P-C4' energy: -151.776 flat angles C4'-P-C4' energy: -161.475 flat angles P-C4'-P energy: -99.667 tors. eta vs tors. theta energy: -145.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1791.675837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.675837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.675837 (E_RNA) where: Base-Base interactions energy: -1187.152 where: short stacking energy: -489.260 Base-Backbone interact. energy: -1.171 local terms energy: -603.353387 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -137.210 flat angles C4'-P-C4' energy: -155.201 flat angles P-C4'-P energy: -92.194 tors. eta vs tors. theta energy: -93.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1691.796603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.796603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.796603 (E_RNA) where: Base-Base interactions energy: -1090.077 where: short stacking energy: -474.330 Base-Backbone interact. energy: 1.087 local terms energy: -602.806757 where: bonds (distance) C4'-P energy: -140.864 bonds (distance) P-C4' energy: -126.212 flat angles C4'-P-C4' energy: -150.840 flat angles P-C4'-P energy: -88.762 tors. eta vs tors. theta energy: -96.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1119.153619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.153619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.153619 (E_RNA) where: Base-Base interactions energy: -648.772 where: short stacking energy: -302.269 Base-Backbone interact. energy: 1.477 local terms energy: -471.859083 where: bonds (distance) C4'-P energy: -148.433 bonds (distance) P-C4' energy: -129.469 flat angles C4'-P-C4' energy: -104.184 flat angles P-C4'-P energy: -67.328 tors. eta vs tors. theta energy: -22.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3097.593790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.593790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.593790 (E_RNA) where: Base-Base interactions energy: -2158.658 where: short stacking energy: -932.050 Base-Backbone interact. energy: -3.373 local terms energy: -935.563099 where: bonds (distance) C4'-P energy: -164.055 bonds (distance) P-C4' energy: -173.607 flat angles C4'-P-C4' energy: -198.790 flat angles P-C4'-P energy: -129.954 tors. eta vs tors. theta energy: -269.157 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: 3 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2997.882031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.882031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.882031 (E_RNA) where: Base-Base interactions energy: -2099.546 where: short stacking energy: -891.554 Base-Backbone interact. energy: -1.725 local terms energy: -896.611070 where: bonds (distance) C4'-P energy: -172.985 bonds (distance) P-C4' energy: -163.795 flat angles C4'-P-C4' energy: -192.063 flat angles P-C4'-P energy: -112.604 tors. eta vs tors. theta energy: -255.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2805.964735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.964735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.964735 (E_RNA) where: Base-Base interactions energy: -1972.441 where: short stacking energy: -820.276 Base-Backbone interact. energy: -5.458 local terms energy: -828.065754 where: bonds (distance) C4'-P energy: -163.008 bonds (distance) P-C4' energy: -158.780 flat angles C4'-P-C4' energy: -180.989 flat angles P-C4'-P energy: -106.447 tors. eta vs tors. theta energy: -218.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2739.979576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.979576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.979576 (E_RNA) where: Base-Base interactions energy: -1885.997 where: short stacking energy: -838.082 Base-Backbone interact. energy: -0.372 local terms energy: -853.611081 where: bonds (distance) C4'-P energy: -152.413 bonds (distance) P-C4' energy: -160.117 flat angles C4'-P-C4' energy: -179.339 flat angles P-C4'-P energy: -121.665 tors. eta vs tors. theta energy: -240.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2602.957733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.957733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.957733 (E_RNA) where: Base-Base interactions energy: -1774.371 where: short stacking energy: -777.383 Base-Backbone interact. energy: -1.076 local terms energy: -827.510614 where: bonds (distance) C4'-P energy: -144.084 bonds (distance) P-C4' energy: -147.439 flat angles C4'-P-C4' energy: -168.914 flat angles P-C4'-P energy: -131.381 tors. eta vs tors. theta energy: -235.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2357.456186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.456186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.456186 (E_RNA) where: Base-Base interactions energy: -1596.162 where: short stacking energy: -675.361 Base-Backbone interact. energy: -1.332 local terms energy: -759.962086 where: bonds (distance) C4'-P energy: -172.578 bonds (distance) P-C4' energy: -154.050 flat angles C4'-P-C4' energy: -161.776 flat angles P-C4'-P energy: -103.641 tors. eta vs tors. theta energy: -167.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2064.087548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.087548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.087548 (E_RNA) where: Base-Base interactions energy: -1396.726 where: short stacking energy: -634.603 Base-Backbone interact. energy: -0.536 local terms energy: -666.825202 where: bonds (distance) C4'-P energy: -131.828 bonds (distance) P-C4' energy: -144.967 flat angles C4'-P-C4' energy: -163.643 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -148.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1795.682771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.682771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.682771 (E_RNA) where: Base-Base interactions energy: -1155.704 where: short stacking energy: -537.091 Base-Backbone interact. energy: 0.343 local terms energy: -640.321813 where: bonds (distance) C4'-P energy: -146.235 bonds (distance) P-C4' energy: -138.646 flat angles C4'-P-C4' energy: -163.402 flat angles P-C4'-P energy: -79.008 tors. eta vs tors. theta energy: -113.031 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: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1704.594171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.594171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.594171 (E_RNA) where: Base-Base interactions energy: -1101.903 where: short stacking energy: -481.536 Base-Backbone interact. energy: -0.441 local terms energy: -602.250048 where: bonds (distance) C4'-P energy: -128.252 bonds (distance) P-C4' energy: -135.654 flat angles C4'-P-C4' energy: -152.314 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -92.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1174.513023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.513023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.513023 (E_RNA) where: Base-Base interactions energy: -690.306 where: short stacking energy: -337.727 Base-Backbone interact. energy: 4.134 local terms energy: -488.341288 where: bonds (distance) C4'-P energy: -134.827 bonds (distance) P-C4' energy: -136.086 flat angles C4'-P-C4' energy: -123.255 flat angles P-C4'-P energy: -77.648 tors. eta vs tors. theta energy: -16.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3080.168838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.168838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.168838 (E_RNA) where: Base-Base interactions energy: -2145.898 where: short stacking energy: -936.022 Base-Backbone interact. energy: -0.744 local terms energy: -933.527217 where: bonds (distance) C4'-P energy: -158.667 bonds (distance) P-C4' energy: -179.596 flat angles C4'-P-C4' energy: -193.754 flat angles P-C4'-P energy: -137.481 tors. eta vs tors. theta energy: -264.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2974.878739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.878739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.878739 (E_RNA) where: Base-Base interactions energy: -2101.367 where: short stacking energy: -872.330 Base-Backbone interact. energy: -3.265 local terms energy: -870.246092 where: bonds (distance) C4'-P energy: -163.443 bonds (distance) P-C4' energy: -149.483 flat angles C4'-P-C4' energy: -193.355 flat angles P-C4'-P energy: -112.644 tors. eta vs tors. theta energy: -251.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2737.169497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.169497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.169497 (E_RNA) where: Base-Base interactions energy: -1930.189 where: short stacking energy: -781.290 Base-Backbone interact. energy: -6.382 local terms energy: -800.597673 where: bonds (distance) C4'-P energy: -163.401 bonds (distance) P-C4' energy: -153.196 flat angles C4'-P-C4' energy: -160.184 flat angles P-C4'-P energy: -129.941 tors. eta vs tors. theta energy: -193.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2649.954894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.954894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.954894 (E_RNA) where: Base-Base interactions energy: -1838.790 where: short stacking energy: -805.317 Base-Backbone interact. energy: -3.124 local terms energy: -808.040610 where: bonds (distance) C4'-P energy: -148.100 bonds (distance) P-C4' energy: -159.783 flat angles C4'-P-C4' energy: -155.353 flat angles P-C4'-P energy: -115.841 tors. eta vs tors. theta energy: -228.964 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: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2561.586361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.586361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.586361 (E_RNA) where: Base-Base interactions energy: -1745.996 where: short stacking energy: -765.584 Base-Backbone interact. energy: -4.654 local terms energy: -810.935601 where: bonds (distance) C4'-P energy: -153.806 bonds (distance) P-C4' energy: -152.281 flat angles C4'-P-C4' energy: -167.438 flat angles P-C4'-P energy: -116.619 tors. eta vs tors. theta energy: -220.791 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: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2314.255636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.255636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.255636 (E_RNA) where: Base-Base interactions energy: -1563.011 where: short stacking energy: -691.554 Base-Backbone interact. energy: -4.714 local terms energy: -746.530610 where: bonds (distance) C4'-P energy: -144.730 bonds (distance) P-C4' energy: -154.151 flat angles C4'-P-C4' energy: -161.252 flat angles P-C4'-P energy: -100.008 tors. eta vs tors. theta energy: -186.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2108.678694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.678694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.678694 (E_RNA) where: Base-Base interactions energy: -1405.284 where: short stacking energy: -618.760 Base-Backbone interact. energy: 1.969 local terms energy: -705.364163 where: bonds (distance) C4'-P energy: -149.128 bonds (distance) P-C4' energy: -136.772 flat angles C4'-P-C4' energy: -157.280 flat angles P-C4'-P energy: -103.269 tors. eta vs tors. theta energy: -158.915 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: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1770.312409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.312409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.312409 (E_RNA) where: Base-Base interactions energy: -1184.950 where: short stacking energy: -522.115 Base-Backbone interact. energy: -2.953 local terms energy: -582.408947 where: bonds (distance) C4'-P energy: -128.062 bonds (distance) P-C4' energy: -137.208 flat angles C4'-P-C4' energy: -128.705 flat angles P-C4'-P energy: -90.614 tors. eta vs tors. theta energy: -97.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1710.819174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.819174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.819174 (E_RNA) where: Base-Base interactions energy: -1115.181 where: short stacking energy: -480.700 Base-Backbone interact. energy: 4.349 local terms energy: -599.987229 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -148.378 flat angles C4'-P-C4' energy: -144.372 flat angles P-C4'-P energy: -87.868 tors. eta vs tors. theta energy: -83.594 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: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1150.084490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.084490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.084490 (E_RNA) where: Base-Base interactions energy: -660.553 where: short stacking energy: -311.948 Base-Backbone interact. energy: 4.558 local terms energy: -494.089152 where: bonds (distance) C4'-P energy: -162.363 bonds (distance) P-C4' energy: -151.310 flat angles C4'-P-C4' energy: -94.187 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3064.122044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.122044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.122044 (E_RNA) where: Base-Base interactions energy: -2120.143 where: short stacking energy: -938.968 Base-Backbone interact. energy: -3.193 local terms energy: -940.785747 where: bonds (distance) C4'-P energy: -161.464 bonds (distance) P-C4' energy: -177.070 flat angles C4'-P-C4' energy: -198.319 flat angles P-C4'-P energy: -129.925 tors. eta vs tors. theta energy: -274.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3014.860613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.860613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.860613 (E_RNA) where: Base-Base interactions energy: -2127.514 where: short stacking energy: -907.013 Base-Backbone interact. energy: -3.946 local terms energy: -883.400876 where: bonds (distance) C4'-P energy: -151.963 bonds (distance) P-C4' energy: -172.253 flat angles C4'-P-C4' energy: -182.715 flat angles P-C4'-P energy: -122.740 tors. eta vs tors. theta energy: -253.730 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: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2765.623908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.623908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.623908 (E_RNA) where: Base-Base interactions energy: -1941.408 where: short stacking energy: -820.980 Base-Backbone interact. energy: -4.384 local terms energy: -819.831745 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -173.927 flat angles C4'-P-C4' energy: -177.702 flat angles P-C4'-P energy: -111.344 tors. eta vs tors. theta energy: -221.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2686.247846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.247846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.247846 (E_RNA) where: Base-Base interactions energy: -1859.879 where: short stacking energy: -800.426 Base-Backbone interact. energy: -2.093 local terms energy: -824.275106 where: bonds (distance) C4'-P energy: -139.368 bonds (distance) P-C4' energy: -168.673 flat angles C4'-P-C4' energy: -174.859 flat angles P-C4'-P energy: -110.498 tors. eta vs tors. theta energy: -230.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2585.119750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.119750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.119750 (E_RNA) where: Base-Base interactions energy: -1799.291 where: short stacking energy: -756.543 Base-Backbone interact. energy: -2.112 local terms energy: -783.717328 where: bonds (distance) C4'-P energy: -133.894 bonds (distance) P-C4' energy: -135.303 flat angles C4'-P-C4' energy: -182.587 flat angles P-C4'-P energy: -112.035 tors. eta vs tors. theta energy: -219.898 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: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2317.739765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.739765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.739765 (E_RNA) where: Base-Base interactions energy: -1559.340 where: short stacking energy: -692.632 Base-Backbone interact. energy: -0.765 local terms energy: -757.635568 where: bonds (distance) C4'-P energy: -137.501 bonds (distance) P-C4' energy: -163.407 flat angles C4'-P-C4' energy: -166.865 flat angles P-C4'-P energy: -108.923 tors. eta vs tors. theta energy: -180.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2110.551498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.551498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.551498 (E_RNA) where: Base-Base interactions energy: -1411.755 where: short stacking energy: -621.097 Base-Backbone interact. energy: -0.327 local terms energy: -698.469616 where: bonds (distance) C4'-P energy: -132.400 bonds (distance) P-C4' energy: -148.887 flat angles C4'-P-C4' energy: -161.155 flat angles P-C4'-P energy: -102.222 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: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1785.876341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.876341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.876341 (E_RNA) where: Base-Base interactions energy: -1149.295 where: short stacking energy: -512.967 Base-Backbone interact. energy: 2.051 local terms energy: -638.632713 where: bonds (distance) C4'-P energy: -131.007 bonds (distance) P-C4' energy: -143.799 flat angles C4'-P-C4' energy: -157.366 flat angles P-C4'-P energy: -108.170 tors. eta vs tors. theta energy: -98.291 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: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1650.789731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.789731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.789731 (E_RNA) where: Base-Base interactions energy: -1043.567 where: short stacking energy: -468.270 Base-Backbone interact. energy: -1.660 local terms energy: -605.563477 where: bonds (distance) C4'-P energy: -121.910 bonds (distance) P-C4' energy: -157.960 flat angles C4'-P-C4' energy: -138.889 flat angles P-C4'-P energy: -97.120 tors. eta vs tors. theta energy: -89.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1181.976925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.976925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.976925 (E_RNA) where: Base-Base interactions energy: -679.465 where: short stacking energy: -333.390 Base-Backbone interact. energy: -2.893 local terms energy: -499.618298 where: bonds (distance) C4'-P energy: -146.326 bonds (distance) P-C4' energy: -133.589 flat angles C4'-P-C4' energy: -112.704 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -39.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3078.040687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.040687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.040687 (E_RNA) where: Base-Base interactions energy: -2130.066 where: short stacking energy: -933.184 Base-Backbone interact. energy: -3.155 local terms energy: -944.820042 where: bonds (distance) C4'-P energy: -162.657 bonds (distance) P-C4' energy: -171.816 flat angles C4'-P-C4' energy: -199.844 flat angles P-C4'-P energy: -142.238 tors. eta vs tors. theta energy: -268.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2954.609394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.609394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.609394 (E_RNA) where: Base-Base interactions energy: -2071.467 where: short stacking energy: -876.545 Base-Backbone interact. energy: -2.847 local terms energy: -880.295950 where: bonds (distance) C4'-P energy: -148.433 bonds (distance) P-C4' energy: -165.875 flat angles C4'-P-C4' energy: -191.657 flat angles P-C4'-P energy: -122.324 tors. eta vs tors. theta energy: -252.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2778.085438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.085438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.085438 (E_RNA) where: Base-Base interactions energy: -1898.994 where: short stacking energy: -803.155 Base-Backbone interact. energy: -4.279 local terms energy: -874.813039 where: bonds (distance) C4'-P energy: -156.989 bonds (distance) P-C4' energy: -180.792 flat angles C4'-P-C4' energy: -188.457 flat angles P-C4'-P energy: -116.129 tors. eta vs tors. theta energy: -232.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2657.117317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.117317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.117317 (E_RNA) where: Base-Base interactions energy: -1851.335 where: short stacking energy: -817.884 Base-Backbone interact. energy: 2.650 local terms energy: -808.432347 where: bonds (distance) C4'-P energy: -163.109 bonds (distance) P-C4' energy: -138.471 flat angles C4'-P-C4' energy: -149.403 flat angles P-C4'-P energy: -123.441 tors. eta vs tors. theta energy: -234.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2597.479952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.479952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.479952 (E_RNA) where: Base-Base interactions energy: -1821.442 where: short stacking energy: -788.369 Base-Backbone interact. energy: -0.273 local terms energy: -775.764244 where: bonds (distance) C4'-P energy: -127.134 bonds (distance) P-C4' energy: -148.066 flat angles C4'-P-C4' energy: -165.926 flat angles P-C4'-P energy: -111.025 tors. eta vs tors. theta energy: -223.614 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: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2382.160123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.160123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.160123 (E_RNA) where: Base-Base interactions energy: -1625.476 where: short stacking energy: -706.705 Base-Backbone interact. energy: 1.234 local terms energy: -757.918652 where: bonds (distance) C4'-P energy: -157.039 bonds (distance) P-C4' energy: -130.145 flat angles C4'-P-C4' energy: -148.699 flat angles P-C4'-P energy: -126.946 tors. eta vs tors. theta energy: -195.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2154.552105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.552105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.552105 (E_RNA) where: Base-Base interactions energy: -1477.008 where: short stacking energy: -647.442 Base-Backbone interact. energy: -0.584 local terms energy: -676.960085 where: bonds (distance) C4'-P energy: -130.924 bonds (distance) P-C4' energy: -164.018 flat angles C4'-P-C4' energy: -149.004 flat angles P-C4'-P energy: -82.767 tors. eta vs tors. theta energy: -150.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1765.348785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.348785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.348785 (E_RNA) where: Base-Base interactions energy: -1083.649 where: short stacking energy: -486.445 Base-Backbone interact. energy: -0.915 local terms energy: -680.784881 where: bonds (distance) C4'-P energy: -159.051 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -165.212 flat angles P-C4'-P energy: -94.025 tors. eta vs tors. theta energy: -107.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1705.063350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.063350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.063350 (E_RNA) where: Base-Base interactions energy: -1136.044 where: short stacking energy: -498.234 Base-Backbone interact. energy: -3.379 local terms energy: -565.640103 where: bonds (distance) C4'-P energy: -141.226 bonds (distance) P-C4' energy: -134.801 flat angles C4'-P-C4' energy: -117.995 flat angles P-C4'-P energy: -78.483 tors. eta vs tors. theta energy: -93.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1147.280886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.280886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.280886 (E_RNA) where: Base-Base interactions energy: -659.412 where: short stacking energy: -343.746 Base-Backbone interact. energy: 5.246 local terms energy: -493.115348 where: bonds (distance) C4'-P energy: -139.416 bonds (distance) P-C4' energy: -129.767 flat angles C4'-P-C4' energy: -148.846 flat angles P-C4'-P energy: -57.765 tors. eta vs tors. theta energy: -17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3092.138517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.138517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.138517 (E_RNA) where: Base-Base interactions energy: -2171.130 where: short stacking energy: -932.188 Base-Backbone interact. energy: 0.559 local terms energy: -921.567151 where: bonds (distance) C4'-P energy: -164.082 bonds (distance) P-C4' energy: -168.073 flat angles C4'-P-C4' energy: -182.187 flat angles P-C4'-P energy: -131.757 tors. eta vs tors. theta energy: -275.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2999.600471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.600471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.600471 (E_RNA) where: Base-Base interactions energy: -2116.479 where: short stacking energy: -876.628 Base-Backbone interact. energy: -3.564 local terms energy: -879.557816 where: bonds (distance) C4'-P energy: -176.624 bonds (distance) P-C4' energy: -160.248 flat angles C4'-P-C4' energy: -183.281 flat angles P-C4'-P energy: -111.626 tors. eta vs tors. theta energy: -247.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2806.183145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.183145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.183145 (E_RNA) where: Base-Base interactions energy: -1963.626 where: short stacking energy: -817.240 Base-Backbone interact. energy: -3.167 local terms energy: -839.389871 where: bonds (distance) C4'-P energy: -163.479 bonds (distance) P-C4' energy: -157.536 flat angles C4'-P-C4' energy: -171.727 flat angles P-C4'-P energy: -112.398 tors. eta vs tors. theta energy: -234.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2677.111072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.111072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.111072 (E_RNA) where: Base-Base interactions energy: -1842.784 where: short stacking energy: -794.282 Base-Backbone interact. energy: -1.312 local terms energy: -833.015570 where: bonds (distance) C4'-P energy: -145.342 bonds (distance) P-C4' energy: -177.929 flat angles C4'-P-C4' energy: -178.961 flat angles P-C4'-P energy: -110.340 tors. eta vs tors. theta energy: -220.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2602.644166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.644166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.644166 (E_RNA) where: Base-Base interactions energy: -1822.255 where: short stacking energy: -790.660 Base-Backbone interact. energy: -0.740 local terms energy: -779.648803 where: bonds (distance) C4'-P energy: -139.573 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -158.839 flat angles P-C4'-P energy: -100.423 tors. eta vs tors. theta energy: -227.714 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: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2305.004438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.004438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.004438 (E_RNA) where: Base-Base interactions energy: -1528.080 where: short stacking energy: -698.145 Base-Backbone interact. energy: 1.510 local terms energy: -778.434209 where: bonds (distance) C4'-P energy: -152.845 bonds (distance) P-C4' energy: -156.244 flat angles C4'-P-C4' energy: -179.956 flat angles P-C4'-P energy: -109.217 tors. eta vs tors. theta energy: -180.173 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: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2123.736556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.736556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.736556 (E_RNA) where: Base-Base interactions energy: -1463.703 where: short stacking energy: -647.839 Base-Backbone interact. energy: 1.616 local terms energy: -661.649713 where: bonds (distance) C4'-P energy: -139.336 bonds (distance) P-C4' energy: -133.166 flat angles C4'-P-C4' energy: -147.800 flat angles P-C4'-P energy: -86.233 tors. eta vs tors. theta energy: -155.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1814.521924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.521924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.521924 (E_RNA) where: Base-Base interactions energy: -1225.739 where: short stacking energy: -543.010 Base-Backbone interact. energy: 0.330 local terms energy: -589.112641 where: bonds (distance) C4'-P energy: -128.400 bonds (distance) P-C4' energy: -133.128 flat angles C4'-P-C4' energy: -139.184 flat angles P-C4'-P energy: -89.547 tors. eta vs tors. theta energy: -98.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1694.200341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.200341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.200341 (E_RNA) where: Base-Base interactions energy: -1124.725 where: short stacking energy: -527.985 Base-Backbone interact. energy: 7.662 local terms energy: -577.137386 where: bonds (distance) C4'-P energy: -130.606 bonds (distance) P-C4' energy: -136.568 flat angles C4'-P-C4' energy: -125.221 flat angles P-C4'-P energy: -87.355 tors. eta vs tors. theta energy: -97.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1037.461449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.461449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.461449 (E_RNA) where: Base-Base interactions energy: -586.489 where: short stacking energy: -299.892 Base-Backbone interact. energy: 0.555 local terms energy: -451.528020 where: bonds (distance) C4'-P energy: -140.436 bonds (distance) P-C4' energy: -128.245 flat angles C4'-P-C4' energy: -100.881 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: -21.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3063.958036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.958036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.958036 (E_RNA) where: Base-Base interactions energy: -2135.264 where: short stacking energy: -917.881 Base-Backbone interact. energy: -0.830 local terms energy: -927.863737 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -168.069 flat angles C4'-P-C4' energy: -207.672 flat angles P-C4'-P energy: -135.167 tors. eta vs tors. theta energy: -270.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2997.463768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.463768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.463768 (E_RNA) where: Base-Base interactions energy: -2105.403 where: short stacking energy: -848.850 Base-Backbone interact. energy: -2.355 local terms energy: -889.706011 where: bonds (distance) C4'-P energy: -156.345 bonds (distance) P-C4' energy: -162.086 flat angles C4'-P-C4' energy: -195.512 flat angles P-C4'-P energy: -134.896 tors. eta vs tors. theta energy: -240.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2764.300333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.300333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.300333 (E_RNA) where: Base-Base interactions energy: -1948.391 where: short stacking energy: -827.755 Base-Backbone interact. energy: -6.886 local terms energy: -809.022817 where: bonds (distance) C4'-P energy: -159.174 bonds (distance) P-C4' energy: -157.379 flat angles C4'-P-C4' energy: -172.962 flat angles P-C4'-P energy: -105.999 tors. eta vs tors. theta energy: -213.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2692.297186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.297186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.297186 (E_RNA) where: Base-Base interactions energy: -1881.902 where: short stacking energy: -810.527 Base-Backbone interact. energy: -1.820 local terms energy: -808.575024 where: bonds (distance) C4'-P energy: -150.104 bonds (distance) P-C4' energy: -153.586 flat angles C4'-P-C4' energy: -171.958 flat angles P-C4'-P energy: -101.657 tors. eta vs tors. theta energy: -231.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2572.805272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.805272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.805272 (E_RNA) where: Base-Base interactions energy: -1777.158 where: short stacking energy: -748.082 Base-Backbone interact. energy: 4.388 local terms energy: -800.034748 where: bonds (distance) C4'-P energy: -138.621 bonds (distance) P-C4' energy: -167.911 flat angles C4'-P-C4' energy: -184.643 flat angles P-C4'-P energy: -111.547 tors. eta vs tors. theta energy: -197.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2328.599194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.599194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.599194 (E_RNA) where: Base-Base interactions energy: -1608.272 where: short stacking energy: -688.399 Base-Backbone interact. energy: -3.289 local terms energy: -717.037856 where: bonds (distance) C4'-P energy: -133.519 bonds (distance) P-C4' energy: -155.754 flat angles C4'-P-C4' energy: -148.826 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -183.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2128.549101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.549101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.549101 (E_RNA) where: Base-Base interactions energy: -1443.182 where: short stacking energy: -605.288 Base-Backbone interact. energy: -0.863 local terms energy: -684.503516 where: bonds (distance) C4'-P energy: -146.550 bonds (distance) P-C4' energy: -135.605 flat angles C4'-P-C4' energy: -160.444 flat angles P-C4'-P energy: -98.569 tors. eta vs tors. theta energy: -143.335 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: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1907.397292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.397292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.397292 (E_RNA) where: Base-Base interactions energy: -1288.366 where: short stacking energy: -533.011 Base-Backbone interact. energy: 1.525 local terms energy: -620.556650 where: bonds (distance) C4'-P energy: -135.440 bonds (distance) P-C4' energy: -135.579 flat angles C4'-P-C4' energy: -157.798 flat angles P-C4'-P energy: -94.641 tors. eta vs tors. theta energy: -97.098 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: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1671.730617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.730617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.730617 (E_RNA) where: Base-Base interactions energy: -1048.211 where: short stacking energy: -467.813 Base-Backbone interact. energy: -1.405 local terms energy: -622.114660 where: bonds (distance) C4'-P energy: -134.590 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -150.215 flat angles P-C4'-P energy: -100.765 tors. eta vs tors. theta energy: -101.563 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: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1043.728911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.728911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.728911 (E_RNA) where: Base-Base interactions energy: -595.049 where: short stacking energy: -316.457 Base-Backbone interact. energy: 4.608 local terms energy: -453.287675 where: bonds (distance) C4'-P energy: -117.478 bonds (distance) P-C4' energy: -144.051 flat angles C4'-P-C4' energy: -125.987 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: -8.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3067.895084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.895084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.895084 (E_RNA) where: Base-Base interactions energy: -2145.988 where: short stacking energy: -924.975 Base-Backbone interact. energy: -2.760 local terms energy: -919.147133 where: bonds (distance) C4'-P energy: -161.835 bonds (distance) P-C4' energy: -161.439 flat angles C4'-P-C4' energy: -190.668 flat angles P-C4'-P energy: -135.482 tors. eta vs tors. theta energy: -269.723 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: 377 Temperature: 0.950000 Total energy: -2966.790201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.790201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.790201 (E_RNA) where: Base-Base interactions energy: -2091.601 where: short stacking energy: -867.255 Base-Backbone interact. energy: -0.769 local terms energy: -874.420836 where: bonds (distance) C4'-P energy: -153.546 bonds (distance) P-C4' energy: -169.948 flat angles C4'-P-C4' energy: -187.630 flat angles P-C4'-P energy: -112.453 tors. eta vs tors. theta energy: -250.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2803.702377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.702377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.702377 (E_RNA) where: Base-Base interactions energy: -1919.951 where: short stacking energy: -798.265 Base-Backbone interact. energy: -5.126 local terms energy: -878.625187 where: bonds (distance) C4'-P energy: -160.043 bonds (distance) P-C4' energy: -163.433 flat angles C4'-P-C4' energy: -195.988 flat angles P-C4'-P energy: -127.125 tors. eta vs tors. theta energy: -232.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2657.723059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.723059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.723059 (E_RNA) where: Base-Base interactions energy: -1833.435 where: short stacking energy: -788.902 Base-Backbone interact. energy: -3.724 local terms energy: -820.564200 where: bonds (distance) C4'-P energy: -135.116 bonds (distance) P-C4' energy: -160.026 flat angles C4'-P-C4' energy: -176.383 flat angles P-C4'-P energy: -122.347 tors. eta vs tors. theta energy: -226.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2578.427460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.427460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.427460 (E_RNA) where: Base-Base interactions energy: -1785.938 where: short stacking energy: -778.371 Base-Backbone interact. energy: -2.277 local terms energy: -790.212971 where: bonds (distance) C4'-P energy: -148.125 bonds (distance) P-C4' energy: -154.415 flat angles C4'-P-C4' energy: -178.601 flat angles P-C4'-P energy: -87.744 tors. eta vs tors. theta energy: -221.327 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: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2276.799480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.799480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.799480 (E_RNA) where: Base-Base interactions energy: -1552.122 where: short stacking energy: -674.814 Base-Backbone interact. energy: -0.759 local terms energy: -723.917701 where: bonds (distance) C4'-P energy: -153.976 bonds (distance) P-C4' energy: -150.221 flat angles C4'-P-C4' energy: -151.881 flat angles P-C4'-P energy: -103.763 tors. eta vs tors. theta energy: -164.076 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: 7, replica: 1 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2250.514985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.514985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.514985 (E_RNA) where: Base-Base interactions energy: -1522.751 where: short stacking energy: -675.960 Base-Backbone interact. energy: 5.393 local terms energy: -733.157790 where: bonds (distance) C4'-P energy: -149.758 bonds (distance) P-C4' energy: -126.639 flat angles C4'-P-C4' energy: -176.190 flat angles P-C4'-P energy: -111.198 tors. eta vs tors. theta energy: -169.373 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: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1875.247332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.247332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.247332 (E_RNA) where: Base-Base interactions energy: -1246.177 where: short stacking energy: -529.428 Base-Backbone interact. energy: -2.821 local terms energy: -626.249432 where: bonds (distance) C4'-P energy: -137.721 bonds (distance) P-C4' energy: -133.244 flat angles C4'-P-C4' energy: -149.025 flat angles P-C4'-P energy: -93.558 tors. eta vs tors. theta energy: -112.703 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: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1728.495791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.495791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.495791 (E_RNA) where: Base-Base interactions energy: -1114.914 where: short stacking energy: -505.377 Base-Backbone interact. energy: -3.879 local terms energy: -609.703168 where: bonds (distance) C4'-P energy: -133.429 bonds (distance) P-C4' energy: -141.643 flat angles C4'-P-C4' energy: -146.892 flat angles P-C4'-P energy: -83.519 tors. eta vs tors. theta energy: -104.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1003.649726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.649726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.649726 (E_RNA) where: Base-Base interactions energy: -532.529 where: short stacking energy: -287.625 Base-Backbone interact. energy: 3.168 local terms energy: -474.288455 where: bonds (distance) C4'-P energy: -141.143 bonds (distance) P-C4' energy: -134.745 flat angles C4'-P-C4' energy: -129.629 flat angles P-C4'-P energy: -58.223 tors. eta vs tors. theta energy: -10.549 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: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3077.279211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.279211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.279211 (E_RNA) where: Base-Base interactions energy: -2155.062 where: short stacking energy: -952.948 Base-Backbone interact. energy: 4.224 local terms energy: -926.441381 where: bonds (distance) C4'-P energy: -160.471 bonds (distance) P-C4' energy: -165.801 flat angles C4'-P-C4' energy: -200.648 flat angles P-C4'-P energy: -130.563 tors. eta vs tors. theta energy: -268.958 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: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2971.665569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.665569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.665569 (E_RNA) where: Base-Base interactions energy: -2111.449 where: short stacking energy: -892.936 Base-Backbone interact. energy: -5.519 local terms energy: -854.697299 where: bonds (distance) C4'-P energy: -162.062 bonds (distance) P-C4' energy: -144.742 flat angles C4'-P-C4' energy: -187.650 flat angles P-C4'-P energy: -112.093 tors. eta vs tors. theta energy: -248.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2815.559547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.559547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.559547 (E_RNA) where: Base-Base interactions energy: -1974.201 where: short stacking energy: -831.129 Base-Backbone interact. energy: -5.119 local terms energy: -836.239939 where: bonds (distance) C4'-P energy: -148.414 bonds (distance) P-C4' energy: -154.018 flat angles C4'-P-C4' energy: -174.662 flat angles P-C4'-P energy: -121.921 tors. eta vs tors. theta energy: -237.225 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: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2680.623345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.623345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.623345 (E_RNA) where: Base-Base interactions energy: -1864.864 where: short stacking energy: -794.769 Base-Backbone interact. energy: -5.444 local terms energy: -810.315831 where: bonds (distance) C4'-P energy: -145.040 bonds (distance) P-C4' energy: -167.059 flat angles C4'-P-C4' energy: -177.556 flat angles P-C4'-P energy: -102.942 tors. eta vs tors. theta energy: -217.719 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: 5, replica: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2639.101022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.101022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.101022 (E_RNA) where: Base-Base interactions energy: -1849.508 where: short stacking energy: -768.153 Base-Backbone interact. energy: 1.817 local terms energy: -791.409462 where: bonds (distance) C4'-P energy: -140.414 bonds (distance) P-C4' energy: -161.114 flat angles C4'-P-C4' energy: -172.736 flat angles P-C4'-P energy: -88.306 tors. eta vs tors. theta energy: -228.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2244.563804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.563804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.563804 (E_RNA) where: Base-Base interactions energy: -1529.809 where: short stacking energy: -636.024 Base-Backbone interact. energy: 1.278 local terms energy: -716.032553 where: bonds (distance) C4'-P energy: -150.215 bonds (distance) P-C4' energy: -142.877 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -108.265 tors. eta vs tors. theta energy: -155.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2222.510858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.510858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.510858 (E_RNA) where: Base-Base interactions energy: -1497.941 where: short stacking energy: -668.750 Base-Backbone interact. energy: -3.654 local terms energy: -720.916715 where: bonds (distance) C4'-P energy: -154.838 bonds (distance) P-C4' energy: -136.076 flat angles C4'-P-C4' energy: -149.808 flat angles P-C4'-P energy: -114.032 tors. eta vs tors. theta energy: -166.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1908.684120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.684120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.684120 (E_RNA) where: Base-Base interactions energy: -1323.315 where: short stacking energy: -560.345 Base-Backbone interact. energy: -1.043 local terms energy: -584.326208 where: bonds (distance) C4'-P energy: -117.029 bonds (distance) P-C4' energy: -132.384 flat angles C4'-P-C4' energy: -147.966 flat angles P-C4'-P energy: -78.068 tors. eta vs tors. theta energy: -108.879 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: 9, replica: 4 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1704.793712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.793712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.793712 (E_RNA) where: Base-Base interactions energy: -1116.980 where: short stacking energy: -498.834 Base-Backbone interact. energy: 1.930 local terms energy: -589.744486 where: bonds (distance) C4'-P energy: -129.103 bonds (distance) P-C4' energy: -121.784 flat angles C4'-P-C4' energy: -137.458 flat angles P-C4'-P energy: -103.781 tors. eta vs tors. theta energy: -97.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1039.350409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.350409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.350409 (E_RNA) where: Base-Base interactions energy: -560.281 where: short stacking energy: -296.715 Base-Backbone interact. energy: 3.551 local terms energy: -482.620699 where: bonds (distance) C4'-P energy: -139.165 bonds (distance) P-C4' energy: -131.899 flat angles C4'-P-C4' energy: -125.106 flat angles P-C4'-P energy: -71.539 tors. eta vs tors. theta energy: -14.913 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: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3062.550578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.550578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.550578 (E_RNA) where: Base-Base interactions energy: -2095.484 where: short stacking energy: -906.142 Base-Backbone interact. energy: -1.677 local terms energy: -965.389278 where: bonds (distance) C4'-P energy: -181.163 bonds (distance) P-C4' energy: -176.063 flat angles C4'-P-C4' energy: -207.116 flat angles P-C4'-P energy: -120.700 tors. eta vs tors. theta energy: -280.347 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: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2948.717344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.717344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.717344 (E_RNA) where: Base-Base interactions energy: -2063.832 where: short stacking energy: -867.255 Base-Backbone interact. energy: -3.414 local terms energy: -881.472161 where: bonds (distance) C4'-P energy: -149.252 bonds (distance) P-C4' energy: -166.414 flat angles C4'-P-C4' energy: -191.184 flat angles P-C4'-P energy: -123.587 tors. eta vs tors. theta energy: -251.036 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: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2804.334376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.334376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.334376 (E_RNA) where: Base-Base interactions energy: -1959.848 where: short stacking energy: -799.037 Base-Backbone interact. energy: -1.177 local terms energy: -843.309139 where: bonds (distance) C4'-P energy: -158.226 bonds (distance) P-C4' energy: -154.213 flat angles C4'-P-C4' energy: -190.890 flat angles P-C4'-P energy: -116.441 tors. eta vs tors. theta energy: -223.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2707.348332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.348332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.348332 (E_RNA) where: Base-Base interactions energy: -1889.149 where: short stacking energy: -807.187 Base-Backbone interact. energy: 4.608 local terms energy: -822.806610 where: bonds (distance) C4'-P energy: -154.379 bonds (distance) P-C4' energy: -159.918 flat angles C4'-P-C4' energy: -183.878 flat angles P-C4'-P energy: -102.295 tors. eta vs tors. theta energy: -222.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2567.253003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.253003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.253003 (E_RNA) where: Base-Base interactions energy: -1762.062 where: short stacking energy: -753.254 Base-Backbone interact. energy: 1.267 local terms energy: -806.457960 where: bonds (distance) C4'-P energy: -158.791 bonds (distance) P-C4' energy: -151.229 flat angles C4'-P-C4' energy: -183.659 flat angles P-C4'-P energy: -110.241 tors. eta vs tors. theta energy: -202.538 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: 379 Temperature: 1.150000 Total energy: -2267.016522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.016522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.016522 (E_RNA) where: Base-Base interactions energy: -1558.356 where: short stacking energy: -681.879 Base-Backbone interact. energy: 0.719 local terms energy: -709.379472 where: bonds (distance) C4'-P energy: -152.435 bonds (distance) P-C4' energy: -130.236 flat angles C4'-P-C4' energy: -167.237 flat angles P-C4'-P energy: -88.915 tors. eta vs tors. theta energy: -170.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2148.620851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.620851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.620851 (E_RNA) where: Base-Base interactions energy: -1438.270 where: short stacking energy: -644.740 Base-Backbone interact. energy: -3.495 local terms energy: -706.856490 where: bonds (distance) C4'-P energy: -139.779 bonds (distance) P-C4' energy: -148.507 flat angles C4'-P-C4' energy: -137.768 flat angles P-C4'-P energy: -103.557 tors. eta vs tors. theta energy: -177.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1898.981701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.981701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.981701 (E_RNA) where: Base-Base interactions energy: -1299.792 where: short stacking energy: -564.604 Base-Backbone interact. energy: 0.960 local terms energy: -600.149604 where: bonds (distance) C4'-P energy: -129.547 bonds (distance) P-C4' energy: -127.201 flat angles C4'-P-C4' energy: -141.521 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -108.879 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: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1607.065414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.065414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.065414 (E_RNA) where: Base-Base interactions energy: -1031.663 where: short stacking energy: -470.991 Base-Backbone interact. energy: -3.165 local terms energy: -572.237872 where: bonds (distance) C4'-P energy: -129.336 bonds (distance) P-C4' energy: -141.387 flat angles C4'-P-C4' energy: -128.871 flat angles P-C4'-P energy: -84.987 tors. eta vs tors. theta energy: -87.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1079.128534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.128534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.128534 (E_RNA) where: Base-Base interactions energy: -584.315 where: short stacking energy: -276.615 Base-Backbone interact. energy: 2.672 local terms energy: -497.485803 where: bonds (distance) C4'-P energy: -131.404 bonds (distance) P-C4' energy: -150.311 flat angles C4'-P-C4' energy: -120.417 flat angles P-C4'-P energy: -83.902 tors. eta vs tors. theta energy: -11.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3072.162056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.162056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.162056 (E_RNA) where: Base-Base interactions energy: -2133.884 where: short stacking energy: -961.606 Base-Backbone interact. energy: -1.351 local terms energy: -936.926783 where: bonds (distance) C4'-P energy: -158.691 bonds (distance) P-C4' energy: -176.780 flat angles C4'-P-C4' energy: -193.043 flat angles P-C4'-P energy: -133.034 tors. eta vs tors. theta energy: -275.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2964.690934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.690934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.690934 (E_RNA) where: Base-Base interactions energy: -2081.444 where: short stacking energy: -882.188 Base-Backbone interact. energy: -5.773 local terms energy: -877.474063 where: bonds (distance) C4'-P energy: -165.832 bonds (distance) P-C4' energy: -148.379 flat angles C4'-P-C4' energy: -184.189 flat angles P-C4'-P energy: -119.110 tors. eta vs tors. theta energy: -259.964 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: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2788.128913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.128913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.128913 (E_RNA) where: Base-Base interactions energy: -1957.019 where: short stacking energy: -851.408 Base-Backbone interact. energy: 3.032 local terms energy: -834.142113 where: bonds (distance) C4'-P energy: -157.934 bonds (distance) P-C4' energy: -163.935 flat angles C4'-P-C4' energy: -176.872 flat angles P-C4'-P energy: -105.746 tors. eta vs tors. theta energy: -229.655 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: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2697.219342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.219342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.219342 (E_RNA) where: Base-Base interactions energy: -1844.275 where: short stacking energy: -796.981 Base-Backbone interact. energy: -3.854 local terms energy: -849.090576 where: bonds (distance) C4'-P energy: -164.755 bonds (distance) P-C4' energy: -168.612 flat angles C4'-P-C4' energy: -173.126 flat angles P-C4'-P energy: -112.523 tors. eta vs tors. theta energy: -230.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2572.303746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.303746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.303746 (E_RNA) where: Base-Base interactions energy: -1786.731 where: short stacking energy: -754.113 Base-Backbone interact. energy: 2.092 local terms energy: -787.664786 where: bonds (distance) C4'-P energy: -137.556 bonds (distance) P-C4' energy: -144.291 flat angles C4'-P-C4' energy: -183.515 flat angles P-C4'-P energy: -104.548 tors. eta vs tors. theta energy: -217.755 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: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2237.984014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.984014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.984014 (E_RNA) where: Base-Base interactions energy: -1516.901 where: short stacking energy: -688.009 Base-Backbone interact. energy: 2.489 local terms energy: -723.572665 where: bonds (distance) C4'-P energy: -152.112 bonds (distance) P-C4' energy: -129.995 flat angles C4'-P-C4' energy: -153.507 flat angles P-C4'-P energy: -110.164 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: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2144.933129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.933129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.933129 (E_RNA) where: Base-Base interactions energy: -1414.696 where: short stacking energy: -638.845 Base-Backbone interact. energy: -3.185 local terms energy: -727.051930 where: bonds (distance) C4'-P energy: -146.589 bonds (distance) P-C4' energy: -156.382 flat angles C4'-P-C4' energy: -166.861 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -162.016 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: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1825.478733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.478733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.478733 (E_RNA) where: Base-Base interactions energy: -1216.530 where: short stacking energy: -512.866 Base-Backbone interact. energy: -4.610 local terms energy: -604.338544 where: bonds (distance) C4'-P energy: -121.279 bonds (distance) P-C4' energy: -133.870 flat angles C4'-P-C4' energy: -140.251 flat angles P-C4'-P energy: -98.284 tors. eta vs tors. theta energy: -110.654 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: 9, replica: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1631.012975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.012975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.012975 (E_RNA) where: Base-Base interactions energy: -1064.811 where: short stacking energy: -479.913 Base-Backbone interact. energy: 0.025 local terms energy: -566.226972 where: bonds (distance) C4'-P energy: -128.904 bonds (distance) P-C4' energy: -143.864 flat angles C4'-P-C4' energy: -131.781 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -76.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1023.290131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.290131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.290131 (E_RNA) where: Base-Base interactions energy: -561.873 where: short stacking energy: -282.159 Base-Backbone interact. energy: -1.081 local terms energy: -460.336873 where: bonds (distance) C4'-P energy: -138.698 bonds (distance) P-C4' energy: -141.458 flat angles C4'-P-C4' energy: -117.289 flat angles P-C4'-P energy: -72.149 tors. eta vs tors. theta energy: 9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3046.401191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.401191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.401191 (E_RNA) where: Base-Base interactions energy: -2126.571 where: short stacking energy: -943.651 Base-Backbone interact. energy: -3.797 local terms energy: -916.033370 where: bonds (distance) C4'-P energy: -156.906 bonds (distance) P-C4' energy: -181.515 flat angles C4'-P-C4' energy: -191.596 flat angles P-C4'-P energy: -121.924 tors. eta vs tors. theta energy: -264.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2994.328569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.328569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.328569 (E_RNA) where: Base-Base interactions energy: -2093.130 where: short stacking energy: -856.712 Base-Backbone interact. energy: -10.450 local terms energy: -890.748119 where: bonds (distance) C4'-P energy: -155.979 bonds (distance) P-C4' energy: -156.314 flat angles C4'-P-C4' energy: -195.643 flat angles P-C4'-P energy: -134.153 tors. eta vs tors. theta energy: -248.659 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: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2790.160513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.160513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.160513 (E_RNA) where: Base-Base interactions energy: -1929.923 where: short stacking energy: -824.868 Base-Backbone interact. energy: -1.896 local terms energy: -858.341474 where: bonds (distance) C4'-P energy: -141.725 bonds (distance) P-C4' energy: -176.694 flat angles C4'-P-C4' energy: -194.592 flat angles P-C4'-P energy: -122.494 tors. eta vs tors. theta energy: -222.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2646.099037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.099037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.099037 (E_RNA) where: Base-Base interactions energy: -1831.370 where: short stacking energy: -768.275 Base-Backbone interact. energy: -1.493 local terms energy: -813.236899 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -137.526 flat angles C4'-P-C4' energy: -184.008 flat angles P-C4'-P energy: -129.274 tors. eta vs tors. theta energy: -209.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2595.149722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.149722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.149722 (E_RNA) where: Base-Base interactions energy: -1814.858 where: short stacking energy: -797.385 Base-Backbone interact. energy: -4.387 local terms energy: -775.904514 where: bonds (distance) C4'-P energy: -148.267 bonds (distance) P-C4' energy: -147.230 flat angles C4'-P-C4' energy: -160.810 flat angles P-C4'-P energy: -104.839 tors. eta vs tors. theta energy: -214.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2300.890535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.890535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.890535 (E_RNA) where: Base-Base interactions energy: -1543.522 where: short stacking energy: -705.897 Base-Backbone interact. energy: -1.959 local terms energy: -755.409340 where: bonds (distance) C4'-P energy: -133.290 bonds (distance) P-C4' energy: -152.521 flat angles C4'-P-C4' energy: -166.766 flat angles P-C4'-P energy: -104.367 tors. eta vs tors. theta energy: -198.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2172.029143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.029143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.029143 (E_RNA) where: Base-Base interactions energy: -1446.060 where: short stacking energy: -623.969 Base-Backbone interact. energy: -2.187 local terms energy: -723.782283 where: bonds (distance) C4'-P energy: -137.834 bonds (distance) P-C4' energy: -163.418 flat angles C4'-P-C4' energy: -147.366 flat angles P-C4'-P energy: -106.319 tors. eta vs tors. theta energy: -168.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1685.162387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.162387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.162387 (E_RNA) where: Base-Base interactions energy: -1102.843 where: short stacking energy: -480.547 Base-Backbone interact. energy: 5.433 local terms energy: -587.752300 where: bonds (distance) C4'-P energy: -133.972 bonds (distance) P-C4' energy: -141.061 flat angles C4'-P-C4' energy: -137.580 flat angles P-C4'-P energy: -111.720 tors. eta vs tors. theta energy: -63.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1667.770410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.770410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.770410 (E_RNA) where: Base-Base interactions energy: -1102.996 where: short stacking energy: -475.481 Base-Backbone interact. energy: 4.934 local terms energy: -569.709167 where: bonds (distance) C4'-P energy: -116.418 bonds (distance) P-C4' energy: -129.365 flat angles C4'-P-C4' energy: -142.571 flat angles P-C4'-P energy: -90.577 tors. eta vs tors. theta energy: -90.778 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: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1138.211699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.211699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.211699 (E_RNA) where: Base-Base interactions energy: -619.220 where: short stacking energy: -301.852 Base-Backbone interact. energy: -0.898 local terms energy: -518.093450 where: bonds (distance) C4'-P energy: -134.152 bonds (distance) P-C4' energy: -128.600 flat angles C4'-P-C4' energy: -147.211 flat angles P-C4'-P energy: -71.053 tors. eta vs tors. theta energy: -37.077 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: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3083.178871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.178871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.178871 (E_RNA) where: Base-Base interactions energy: -2132.562 where: short stacking energy: -947.850 Base-Backbone interact. energy: -4.049 local terms energy: -946.567594 where: bonds (distance) C4'-P energy: -170.509 bonds (distance) P-C4' energy: -168.216 flat angles C4'-P-C4' energy: -205.342 flat angles P-C4'-P energy: -129.004 tors. eta vs tors. theta energy: -273.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2984.033369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.033369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.033369 (E_RNA) where: Base-Base interactions energy: -2095.995 where: short stacking energy: -872.763 Base-Backbone interact. energy: -5.631 local terms energy: -882.408113 where: bonds (distance) C4'-P energy: -150.687 bonds (distance) P-C4' energy: -172.614 flat angles C4'-P-C4' energy: -183.667 flat angles P-C4'-P energy: -131.021 tors. eta vs tors. theta energy: -244.419 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: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2779.109854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.109854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.109854 (E_RNA) where: Base-Base interactions energy: -1954.426 where: short stacking energy: -844.179 Base-Backbone interact. energy: -0.879 local terms energy: -823.804277 where: bonds (distance) C4'-P energy: -143.785 bonds (distance) P-C4' energy: -148.955 flat angles C4'-P-C4' energy: -182.786 flat angles P-C4'-P energy: -115.077 tors. eta vs tors. theta energy: -233.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2631.176269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.176269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.176269 (E_RNA) where: Base-Base interactions energy: -1819.965 where: short stacking energy: -775.071 Base-Backbone interact. energy: 3.076 local terms energy: -814.287271 where: bonds (distance) C4'-P energy: -144.862 bonds (distance) P-C4' energy: -158.766 flat angles C4'-P-C4' energy: -171.471 flat angles P-C4'-P energy: -117.699 tors. eta vs tors. theta energy: -221.488 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: 5, replica: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2625.862596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.862596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.862596 (E_RNA) where: Base-Base interactions energy: -1828.025 where: short stacking energy: -779.454 Base-Backbone interact. energy: -1.773 local terms energy: -796.063964 where: bonds (distance) C4'-P energy: -150.568 bonds (distance) P-C4' energy: -147.581 flat angles C4'-P-C4' energy: -174.819 flat angles P-C4'-P energy: -91.587 tors. eta vs tors. theta energy: -231.509 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: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2404.756057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.756057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.756057 (E_RNA) where: Base-Base interactions energy: -1674.372 where: short stacking energy: -744.322 Base-Backbone interact. energy: -2.446 local terms energy: -727.937429 where: bonds (distance) C4'-P energy: -125.911 bonds (distance) P-C4' energy: -138.037 flat angles C4'-P-C4' energy: -162.444 flat angles P-C4'-P energy: -101.481 tors. eta vs tors. theta energy: -200.064 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: 382 Temperature: 1.200000 Total energy: -2195.446102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.446102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.446102 (E_RNA) where: Base-Base interactions energy: -1497.633 where: short stacking energy: -646.389 Base-Backbone interact. energy: -2.189 local terms energy: -695.624120 where: bonds (distance) C4'-P energy: -137.131 bonds (distance) P-C4' energy: -145.077 flat angles C4'-P-C4' energy: -143.850 flat angles P-C4'-P energy: -107.960 tors. eta vs tors. theta energy: -161.605 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: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1742.032994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.032994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.032994 (E_RNA) where: Base-Base interactions energy: -1081.821 where: short stacking energy: -486.706 Base-Backbone interact. energy: -2.738 local terms energy: -657.474554 where: bonds (distance) C4'-P energy: -149.988 bonds (distance) P-C4' energy: -153.276 flat angles C4'-P-C4' energy: -168.569 flat angles P-C4'-P energy: -101.603 tors. eta vs tors. theta energy: -84.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1591.103684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.103684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.103684 (E_RNA) where: Base-Base interactions energy: -1019.392 where: short stacking energy: -483.755 Base-Backbone interact. energy: 2.208 local terms energy: -573.919615 where: bonds (distance) C4'-P energy: -130.079 bonds (distance) P-C4' energy: -141.978 flat angles C4'-P-C4' energy: -139.210 flat angles P-C4'-P energy: -75.472 tors. eta vs tors. theta energy: -87.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1111.425203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.425203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.425203 (E_RNA) where: Base-Base interactions energy: -659.752 where: short stacking energy: -317.785 Base-Backbone interact. energy: 2.879 local terms energy: -454.552569 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -126.876 flat angles C4'-P-C4' energy: -102.064 flat angles P-C4'-P energy: -76.584 tors. eta vs tors. theta energy: -22.632 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: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3100.759685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.759685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.759685 (E_RNA) where: Base-Base interactions energy: -2132.485 where: short stacking energy: -910.093 Base-Backbone interact. energy: -4.235 local terms energy: -964.039888 where: bonds (distance) C4'-P energy: -163.699 bonds (distance) P-C4' energy: -187.440 flat angles C4'-P-C4' energy: -200.339 flat angles P-C4'-P energy: -143.313 tors. eta vs tors. theta energy: -269.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2979.273023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.273023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.273023 (E_RNA) where: Base-Base interactions energy: -2079.871 where: short stacking energy: -850.804 Base-Backbone interact. energy: -4.739 local terms energy: -894.662601 where: bonds (distance) C4'-P energy: -170.373 bonds (distance) P-C4' energy: -162.661 flat angles C4'-P-C4' energy: -201.071 flat angles P-C4'-P energy: -119.150 tors. eta vs tors. theta energy: -241.408 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: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2813.794996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.794996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.794996 (E_RNA) where: Base-Base interactions energy: -1944.098 where: short stacking energy: -831.745 Base-Backbone interact. energy: -3.636 local terms energy: -866.060612 where: bonds (distance) C4'-P energy: -171.214 bonds (distance) P-C4' energy: -168.990 flat angles C4'-P-C4' energy: -168.990 flat angles P-C4'-P energy: -125.625 tors. eta vs tors. theta energy: -231.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2710.968977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.968977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.968977 (E_RNA) where: Base-Base interactions energy: -1899.031 where: short stacking energy: -799.168 Base-Backbone interact. energy: -5.997 local terms energy: -805.941086 where: bonds (distance) C4'-P energy: -161.343 bonds (distance) P-C4' energy: -144.885 flat angles C4'-P-C4' energy: -161.486 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -233.248 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: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2609.760735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.760735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.760735 (E_RNA) where: Base-Base interactions energy: -1835.495 where: short stacking energy: -756.096 Base-Backbone interact. energy: -2.908 local terms energy: -771.357885 where: bonds (distance) C4'-P energy: -150.132 bonds (distance) P-C4' energy: -155.172 flat angles C4'-P-C4' energy: -170.702 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -207.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2360.915016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.915016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.915016 (E_RNA) where: Base-Base interactions energy: -1577.990 where: short stacking energy: -670.017 Base-Backbone interact. energy: -1.036 local terms energy: -781.888732 where: bonds (distance) C4'-P energy: -156.494 bonds (distance) P-C4' energy: -159.223 flat angles C4'-P-C4' energy: -177.936 flat angles P-C4'-P energy: -102.212 tors. eta vs tors. theta energy: -186.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2148.987927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.987927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.987927 (E_RNA) where: Base-Base interactions energy: -1475.648 where: short stacking energy: -622.419 Base-Backbone interact. energy: 4.459 local terms energy: -677.799050 where: bonds (distance) C4'-P energy: -127.948 bonds (distance) P-C4' energy: -146.119 flat angles C4'-P-C4' energy: -165.752 flat angles P-C4'-P energy: -87.400 tors. eta vs tors. theta energy: -150.581 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: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1736.663127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.663127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.663127 (E_RNA) where: Base-Base interactions energy: -1145.493 where: short stacking energy: -485.381 Base-Backbone interact. energy: -2.821 local terms energy: -588.349895 where: bonds (distance) C4'-P energy: -137.627 bonds (distance) P-C4' energy: -112.244 flat angles C4'-P-C4' energy: -164.463 flat angles P-C4'-P energy: -85.591 tors. eta vs tors. theta energy: -88.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1541.106942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.106942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.106942 (E_RNA) where: Base-Base interactions energy: -988.252 where: short stacking energy: -446.093 Base-Backbone interact. energy: 4.931 local terms energy: -557.785785 where: bonds (distance) C4'-P energy: -116.151 bonds (distance) P-C4' energy: -153.047 flat angles C4'-P-C4' energy: -128.802 flat angles P-C4'-P energy: -85.040 tors. eta vs tors. theta energy: -74.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1072.415690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.415690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.415690 (E_RNA) where: Base-Base interactions energy: -595.075 where: short stacking energy: -303.229 Base-Backbone interact. energy: -1.985 local terms energy: -475.355611 where: bonds (distance) C4'-P energy: -142.075 bonds (distance) P-C4' energy: -135.238 flat angles C4'-P-C4' energy: -110.247 flat angles P-C4'-P energy: -63.885 tors. eta vs tors. theta energy: -23.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3057.882092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.882092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.882092 (E_RNA) where: Base-Base interactions energy: -2154.011 where: short stacking energy: -893.987 Base-Backbone interact. energy: -5.343 local terms energy: -898.528159 where: bonds (distance) C4'-P energy: -168.019 bonds (distance) P-C4' energy: -176.508 flat angles C4'-P-C4' energy: -189.110 flat angles P-C4'-P energy: -114.889 tors. eta vs tors. theta energy: -250.001 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: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3024.667711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.667711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.667711 (E_RNA) where: Base-Base interactions energy: -2111.885 where: short stacking energy: -909.348 Base-Backbone interact. energy: -3.257 local terms energy: -909.525505 where: bonds (distance) C4'-P energy: -163.161 bonds (distance) P-C4' energy: -162.166 flat angles C4'-P-C4' energy: -187.204 flat angles P-C4'-P energy: -134.049 tors. eta vs tors. theta energy: -262.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2780.534939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.534939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.534939 (E_RNA) where: Base-Base interactions energy: -1961.838 where: short stacking energy: -835.903 Base-Backbone interact. energy: -3.132 local terms energy: -815.565524 where: bonds (distance) C4'-P energy: -138.620 bonds (distance) P-C4' energy: -162.348 flat angles C4'-P-C4' energy: -177.328 flat angles P-C4'-P energy: -121.601 tors. eta vs tors. theta energy: -215.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2677.445256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.445256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.445256 (E_RNA) where: Base-Base interactions energy: -1855.054 where: short stacking energy: -797.877 Base-Backbone interact. energy: -2.609 local terms energy: -819.782089 where: bonds (distance) C4'-P energy: -147.374 bonds (distance) P-C4' energy: -163.839 flat angles C4'-P-C4' energy: -172.181 flat angles P-C4'-P energy: -105.117 tors. eta vs tors. theta energy: -231.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2547.983170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.983170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.983170 (E_RNA) where: Base-Base interactions energy: -1758.067 where: short stacking energy: -746.345 Base-Backbone interact. energy: -2.920 local terms energy: -786.996011 where: bonds (distance) C4'-P energy: -153.578 bonds (distance) P-C4' energy: -163.969 flat angles C4'-P-C4' energy: -169.705 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -196.255 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: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2374.813177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.813177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.813177 (E_RNA) where: Base-Base interactions energy: -1633.130 where: short stacking energy: -725.935 Base-Backbone interact. energy: -2.647 local terms energy: -739.035864 where: bonds (distance) C4'-P energy: -125.616 bonds (distance) P-C4' energy: -145.507 flat angles C4'-P-C4' energy: -167.658 flat angles P-C4'-P energy: -111.181 tors. eta vs tors. theta energy: -189.074 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: 384 Temperature: 1.200000 Total energy: -2153.670064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.670064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.670064 (E_RNA) where: Base-Base interactions energy: -1489.025 where: short stacking energy: -630.545 Base-Backbone interact. energy: 0.567 local terms energy: -665.212132 where: bonds (distance) C4'-P energy: -123.971 bonds (distance) P-C4' energy: -139.701 flat angles C4'-P-C4' energy: -146.918 flat angles P-C4'-P energy: -94.980 tors. eta vs tors. theta energy: -159.643 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: 8, replica: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1791.736338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.736338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.736338 (E_RNA) where: Base-Base interactions energy: -1164.436 where: short stacking energy: -536.277 Base-Backbone interact. energy: -0.134 local terms energy: -627.165807 where: bonds (distance) C4'-P energy: -139.055 bonds (distance) P-C4' energy: -130.025 flat angles C4'-P-C4' energy: -141.299 flat angles P-C4'-P energy: -107.525 tors. eta vs tors. theta energy: -109.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1586.955010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.955010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.955010 (E_RNA) where: Base-Base interactions energy: -1062.394 where: short stacking energy: -492.202 Base-Backbone interact. energy: 0.183 local terms energy: -524.744047 where: bonds (distance) C4'-P energy: -124.571 bonds (distance) P-C4' energy: -128.275 flat angles C4'-P-C4' energy: -113.338 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -85.961 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: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1088.936564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.936564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.936564 (E_RNA) where: Base-Base interactions energy: -603.442 where: short stacking energy: -302.925 Base-Backbone interact. energy: -3.353 local terms energy: -482.142342 where: bonds (distance) C4'-P energy: -136.222 bonds (distance) P-C4' energy: -141.981 flat angles C4'-P-C4' energy: -136.741 flat angles P-C4'-P energy: -74.379 tors. eta vs tors. theta energy: 7.180 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: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3043.107882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.107882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.107882 (E_RNA) where: Base-Base interactions energy: -2126.134 where: short stacking energy: -878.626 Base-Backbone interact. energy: -6.751 local terms energy: -910.223047 where: bonds (distance) C4'-P energy: -165.847 bonds (distance) P-C4' energy: -160.961 flat angles C4'-P-C4' energy: -189.314 flat angles P-C4'-P energy: -144.757 tors. eta vs tors. theta energy: -249.344 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: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3024.973968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.973968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.973968 (E_RNA) where: Base-Base interactions energy: -2115.495 where: short stacking energy: -919.038 Base-Backbone interact. energy: -3.467 local terms energy: -906.011553 where: bonds (distance) C4'-P energy: -163.139 bonds (distance) P-C4' energy: -164.892 flat angles C4'-P-C4' energy: -190.820 flat angles P-C4'-P energy: -120.500 tors. eta vs tors. theta energy: -266.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2791.845212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.845212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.845212 (E_RNA) where: Base-Base interactions energy: -1924.973 where: short stacking energy: -830.592 Base-Backbone interact. energy: 2.982 local terms energy: -869.854625 where: bonds (distance) C4'-P energy: -157.333 bonds (distance) P-C4' energy: -166.229 flat angles C4'-P-C4' energy: -195.802 flat angles P-C4'-P energy: -126.073 tors. eta vs tors. theta energy: -224.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2656.955612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.955612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.955612 (E_RNA) where: Base-Base interactions energy: -1846.258 where: short stacking energy: -809.751 Base-Backbone interact. energy: -3.884 local terms energy: -806.813358 where: bonds (distance) C4'-P energy: -140.039 bonds (distance) P-C4' energy: -157.982 flat angles C4'-P-C4' energy: -168.641 flat angles P-C4'-P energy: -115.076 tors. eta vs tors. theta energy: -225.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2551.032703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.032703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.032703 (E_RNA) where: Base-Base interactions energy: -1789.287 where: short stacking energy: -747.032 Base-Backbone interact. energy: -5.089 local terms energy: -756.656175 where: bonds (distance) C4'-P energy: -139.674 bonds (distance) P-C4' energy: -145.145 flat angles C4'-P-C4' energy: -173.434 flat angles P-C4'-P energy: -98.212 tors. eta vs tors. theta energy: -200.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2374.643903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.643903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.643903 (E_RNA) where: Base-Base interactions energy: -1630.738 where: short stacking energy: -704.454 Base-Backbone interact. energy: 1.590 local terms energy: -745.496088 where: bonds (distance) C4'-P energy: -140.170 bonds (distance) P-C4' energy: -151.823 flat angles C4'-P-C4' energy: -162.791 flat angles P-C4'-P energy: -102.529 tors. eta vs tors. theta energy: -188.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2144.556405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.556405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.556405 (E_RNA) where: Base-Base interactions energy: -1462.273 where: short stacking energy: -615.415 Base-Backbone interact. energy: -1.534 local terms energy: -680.749522 where: bonds (distance) C4'-P energy: -131.324 bonds (distance) P-C4' energy: -138.114 flat angles C4'-P-C4' energy: -160.839 flat angles P-C4'-P energy: -95.692 tors. eta vs tors. theta energy: -154.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1662.675910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.675910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.675910 (E_RNA) where: Base-Base interactions energy: -1055.796 where: short stacking energy: -476.909 Base-Backbone interact. energy: -1.149 local terms energy: -605.731372 where: bonds (distance) C4'-P energy: -132.081 bonds (distance) P-C4' energy: -152.305 flat angles C4'-P-C4' energy: -141.224 flat angles P-C4'-P energy: -97.528 tors. eta vs tors. theta energy: -82.594 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: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1605.187569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.187569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.187569 (E_RNA) where: Base-Base interactions energy: -1020.624 where: short stacking energy: -437.526 Base-Backbone interact. energy: 3.011 local terms energy: -587.575191 where: bonds (distance) C4'-P energy: -129.432 bonds (distance) P-C4' energy: -153.231 flat angles C4'-P-C4' energy: -125.063 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -86.147 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: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1062.376591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.376591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.376591 (E_RNA) where: Base-Base interactions energy: -608.118 where: short stacking energy: -304.596 Base-Backbone interact. energy: -2.663 local terms energy: -451.595164 where: bonds (distance) C4'-P energy: -139.952 bonds (distance) P-C4' energy: -135.307 flat angles C4'-P-C4' energy: -122.743 flat angles P-C4'-P energy: -33.898 tors. eta vs tors. theta energy: -19.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3053.212137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.212137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.212137 (E_RNA) where: Base-Base interactions energy: -2104.639 where: short stacking energy: -926.889 Base-Backbone interact. energy: -1.645 local terms energy: -946.928894 where: bonds (distance) C4'-P energy: -169.728 bonds (distance) P-C4' energy: -167.140 flat angles C4'-P-C4' energy: -205.838 flat angles P-C4'-P energy: -140.230 tors. eta vs tors. theta energy: -263.993 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: 386 Temperature: 0.950000 Total energy: -2971.946826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.946826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.946826 (E_RNA) where: Base-Base interactions energy: -2092.628 where: short stacking energy: -902.368 Base-Backbone interact. energy: -6.144 local terms energy: -873.174887 where: bonds (distance) C4'-P energy: -162.551 bonds (distance) P-C4' energy: -151.835 flat angles C4'-P-C4' energy: -183.417 flat angles P-C4'-P energy: -114.184 tors. eta vs tors. theta energy: -261.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2811.461584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.461584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.461584 (E_RNA) where: Base-Base interactions energy: -1941.067 where: short stacking energy: -808.220 Base-Backbone interact. energy: -1.799 local terms energy: -868.595476 where: bonds (distance) C4'-P energy: -160.800 bonds (distance) P-C4' energy: -167.586 flat angles C4'-P-C4' energy: -190.464 flat angles P-C4'-P energy: -121.856 tors. eta vs tors. theta energy: -227.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2702.081262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.081262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.081262 (E_RNA) where: Base-Base interactions energy: -1886.579 where: short stacking energy: -798.585 Base-Backbone interact. energy: -6.686 local terms energy: -808.817100 where: bonds (distance) C4'-P energy: -149.462 bonds (distance) P-C4' energy: -154.966 flat angles C4'-P-C4' energy: -179.907 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -233.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2525.381986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.381986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.381986 (E_RNA) where: Base-Base interactions energy: -1756.074 where: short stacking energy: -739.956 Base-Backbone interact. energy: -3.337 local terms energy: -765.970544 where: bonds (distance) C4'-P energy: -138.246 bonds (distance) P-C4' energy: -160.794 flat angles C4'-P-C4' energy: -174.892 flat angles P-C4'-P energy: -94.076 tors. eta vs tors. theta energy: -197.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2385.711714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.711714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.711714 (E_RNA) where: Base-Base interactions energy: -1618.623 where: short stacking energy: -721.428 Base-Backbone interact. energy: -2.126 local terms energy: -764.962828 where: bonds (distance) C4'-P energy: -152.164 bonds (distance) P-C4' energy: -142.624 flat angles C4'-P-C4' energy: -166.962 flat angles P-C4'-P energy: -100.856 tors. eta vs tors. theta energy: -202.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2180.320543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.320543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.320543 (E_RNA) where: Base-Base interactions energy: -1487.511 where: short stacking energy: -636.998 Base-Backbone interact. energy: -1.521 local terms energy: -691.288979 where: bonds (distance) C4'-P energy: -122.488 bonds (distance) P-C4' energy: -152.634 flat angles C4'-P-C4' energy: -146.689 flat angles P-C4'-P energy: -110.668 tors. eta vs tors. theta energy: -158.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1639.652146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.652146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.652146 (E_RNA) where: Base-Base interactions energy: -1059.352 where: short stacking energy: -491.813 Base-Backbone interact. energy: 1.465 local terms energy: -581.765549 where: bonds (distance) C4'-P energy: -120.656 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -150.968 flat angles P-C4'-P energy: -74.676 tors. eta vs tors. theta energy: -78.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1658.080131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.080131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.080131 (E_RNA) where: Base-Base interactions energy: -1111.297 where: short stacking energy: -492.561 Base-Backbone interact. energy: -0.077 local terms energy: -546.705447 where: bonds (distance) C4'-P energy: -142.609 bonds (distance) P-C4' energy: -151.571 flat angles C4'-P-C4' energy: -112.511 flat angles P-C4'-P energy: -57.271 tors. eta vs tors. theta energy: -82.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1070.774113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.774113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.774113 (E_RNA) where: Base-Base interactions energy: -651.795 where: short stacking energy: -328.707 Base-Backbone interact. energy: 3.016 local terms energy: -421.995592 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -112.481 flat angles C4'-P-C4' energy: -103.878 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -13.901 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: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3043.021900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.021900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.021900 (E_RNA) where: Base-Base interactions energy: -2098.859 where: short stacking energy: -931.944 Base-Backbone interact. energy: 2.430 local terms energy: -946.592456 where: bonds (distance) C4'-P energy: -177.942 bonds (distance) P-C4' energy: -168.396 flat angles C4'-P-C4' energy: -195.667 flat angles P-C4'-P energy: -136.758 tors. eta vs tors. theta energy: -267.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2959.492068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.492068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.492068 (E_RNA) where: Base-Base interactions energy: -2095.105 where: short stacking energy: -859.409 Base-Backbone interact. energy: -6.236 local terms energy: -858.150801 where: bonds (distance) C4'-P energy: -153.957 bonds (distance) P-C4' energy: -175.056 flat angles C4'-P-C4' energy: -182.679 flat angles P-C4'-P energy: -110.798 tors. eta vs tors. theta energy: -235.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2797.208399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.208399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.208399 (E_RNA) where: Base-Base interactions energy: -1926.085 where: short stacking energy: -825.792 Base-Backbone interact. energy: -2.863 local terms energy: -868.259976 where: bonds (distance) C4'-P energy: -145.679 bonds (distance) P-C4' energy: -155.888 flat angles C4'-P-C4' energy: -191.049 flat angles P-C4'-P energy: -129.208 tors. eta vs tors. theta energy: -246.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2689.216289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.216289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.216289 (E_RNA) where: Base-Base interactions energy: -1834.925 where: short stacking energy: -793.806 Base-Backbone interact. energy: -4.528 local terms energy: -849.763742 where: bonds (distance) C4'-P energy: -155.816 bonds (distance) P-C4' energy: -168.706 flat angles C4'-P-C4' energy: -176.546 flat angles P-C4'-P energy: -111.084 tors. eta vs tors. theta energy: -237.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2500.474557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.474557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.474557 (E_RNA) where: Base-Base interactions energy: -1708.786 where: short stacking energy: -708.181 Base-Backbone interact. energy: 3.866 local terms energy: -795.554638 where: bonds (distance) C4'-P energy: -130.069 bonds (distance) P-C4' energy: -158.977 flat angles C4'-P-C4' energy: -180.048 flat angles P-C4'-P energy: -116.058 tors. eta vs tors. theta energy: -210.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2298.040450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.040450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.040450 (E_RNA) where: Base-Base interactions energy: -1548.488 where: short stacking energy: -692.137 Base-Backbone interact. energy: -2.196 local terms energy: -747.356315 where: bonds (distance) C4'-P energy: -146.629 bonds (distance) P-C4' energy: -147.380 flat angles C4'-P-C4' energy: -173.052 flat angles P-C4'-P energy: -100.152 tors. eta vs tors. theta energy: -180.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2060.894747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.894747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.894747 (E_RNA) where: Base-Base interactions energy: -1405.875 where: short stacking energy: -589.141 Base-Backbone interact. energy: 2.399 local terms energy: -657.418875 where: bonds (distance) C4'-P energy: -134.474 bonds (distance) P-C4' energy: -146.128 flat angles C4'-P-C4' energy: -154.974 flat angles P-C4'-P energy: -87.968 tors. eta vs tors. theta energy: -133.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1741.447630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.447630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.447630 (E_RNA) where: Base-Base interactions energy: -1143.859 where: short stacking energy: -526.892 Base-Backbone interact. energy: 3.927 local terms energy: -601.515248 where: bonds (distance) C4'-P energy: -123.569 bonds (distance) P-C4' energy: -156.553 flat angles C4'-P-C4' energy: -129.712 flat angles P-C4'-P energy: -90.024 tors. eta vs tors. theta energy: -101.657 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: 4 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1545.983653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.983653 (E_RNA) where: Base-Base interactions energy: -985.127 where: short stacking energy: -421.115 Base-Backbone interact. energy: 6.945 local terms energy: -567.801906 where: bonds (distance) C4'-P energy: -126.810 bonds (distance) P-C4' energy: -149.240 flat angles C4'-P-C4' energy: -136.148 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -71.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1048.444602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.444602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.444602 (E_RNA) where: Base-Base interactions energy: -575.587 where: short stacking energy: -316.523 Base-Backbone interact. energy: 2.281 local terms energy: -475.138232 where: bonds (distance) C4'-P energy: -133.656 bonds (distance) P-C4' energy: -127.447 flat angles C4'-P-C4' energy: -147.805 flat angles P-C4'-P energy: -54.826 tors. eta vs tors. theta energy: -11.405 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: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3097.911205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.911205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.911205 (E_RNA) where: Base-Base interactions energy: -2143.490 where: short stacking energy: -920.821 Base-Backbone interact. energy: -2.303 local terms energy: -952.118418 where: bonds (distance) C4'-P energy: -161.494 bonds (distance) P-C4' energy: -179.441 flat angles C4'-P-C4' energy: -194.942 flat angles P-C4'-P energy: -142.595 tors. eta vs tors. theta energy: -273.647 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: 388 Temperature: 0.950000 Total energy: -2983.028311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.028311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.028311 (E_RNA) where: Base-Base interactions energy: -2103.973 where: short stacking energy: -883.703 Base-Backbone interact. energy: -2.126 local terms energy: -876.929429 where: bonds (distance) C4'-P energy: -144.081 bonds (distance) P-C4' energy: -158.409 flat angles C4'-P-C4' energy: -190.081 flat angles P-C4'-P energy: -132.172 tors. eta vs tors. theta energy: -252.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2799.216136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.216136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.216136 (E_RNA) where: Base-Base interactions energy: -1956.485 where: short stacking energy: -853.856 Base-Backbone interact. energy: 0.233 local terms energy: -842.964120 where: bonds (distance) C4'-P energy: -147.649 bonds (distance) P-C4' energy: -159.046 flat angles C4'-P-C4' energy: -186.923 flat angles P-C4'-P energy: -112.157 tors. eta vs tors. theta energy: -237.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2668.081343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.081343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.081343 (E_RNA) where: Base-Base interactions energy: -1851.085 where: short stacking energy: -816.673 Base-Backbone interact. energy: -1.140 local terms energy: -815.856827 where: bonds (distance) C4'-P energy: -135.340 bonds (distance) P-C4' energy: -169.084 flat angles C4'-P-C4' energy: -177.957 flat angles P-C4'-P energy: -98.836 tors. eta vs tors. theta energy: -234.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2501.132567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.132567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.132567 (E_RNA) where: Base-Base interactions energy: -1714.275 where: short stacking energy: -754.056 Base-Backbone interact. energy: -4.484 local terms energy: -782.373893 where: bonds (distance) C4'-P energy: -167.794 bonds (distance) P-C4' energy: -148.380 flat angles C4'-P-C4' energy: -165.325 flat angles P-C4'-P energy: -96.961 tors. eta vs tors. theta energy: -203.914 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: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2310.893069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.893069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.893069 (E_RNA) where: Base-Base interactions energy: -1548.983 where: short stacking energy: -700.782 Base-Backbone interact. energy: -0.983 local terms energy: -760.927136 where: bonds (distance) C4'-P energy: -139.702 bonds (distance) P-C4' energy: -156.846 flat angles C4'-P-C4' energy: -162.175 flat angles P-C4'-P energy: -109.749 tors. eta vs tors. theta energy: -192.455 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: 7, replica: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2200.293150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.293150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.293150 (E_RNA) where: Base-Base interactions energy: -1454.030 where: short stacking energy: -645.557 Base-Backbone interact. energy: -2.627 local terms energy: -743.636347 where: bonds (distance) C4'-P energy: -139.700 bonds (distance) P-C4' energy: -162.569 flat angles C4'-P-C4' energy: -164.721 flat angles P-C4'-P energy: -103.015 tors. eta vs tors. theta energy: -173.632 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: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1791.627388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.627388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.627388 (E_RNA) where: Base-Base interactions energy: -1153.702 where: short stacking energy: -523.830 Base-Backbone interact. energy: -4.264 local terms energy: -633.661626 where: bonds (distance) C4'-P energy: -132.943 bonds (distance) P-C4' energy: -148.172 flat angles C4'-P-C4' energy: -154.985 flat angles P-C4'-P energy: -85.464 tors. eta vs tors. theta energy: -112.097 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: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1592.032606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.032606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.032606 (E_RNA) where: Base-Base interactions energy: -1035.119 where: short stacking energy: -478.030 Base-Backbone interact. energy: 1.858 local terms energy: -558.771205 where: bonds (distance) C4'-P energy: -139.498 bonds (distance) P-C4' energy: -127.998 flat angles C4'-P-C4' energy: -145.992 flat angles P-C4'-P energy: -74.378 tors. eta vs tors. theta energy: -70.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1047.871939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.871939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.871939 (E_RNA) where: Base-Base interactions energy: -593.176 where: short stacking energy: -310.464 Base-Backbone interact. energy: 4.096 local terms energy: -458.791968 where: bonds (distance) C4'-P energy: -118.863 bonds (distance) P-C4' energy: -138.521 flat angles C4'-P-C4' energy: -121.218 flat angles P-C4'-P energy: -72.663 tors. eta vs tors. theta energy: -7.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3092.728264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.728264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.728264 (E_RNA) where: Base-Base interactions energy: -2161.955 where: short stacking energy: -937.147 Base-Backbone interact. energy: -2.479 local terms energy: -928.293844 where: bonds (distance) C4'-P energy: -150.644 bonds (distance) P-C4' energy: -179.440 flat angles C4'-P-C4' energy: -196.270 flat angles P-C4'-P energy: -127.719 tors. eta vs tors. theta energy: -274.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2966.761864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.761864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.761864 (E_RNA) where: Base-Base interactions energy: -2060.702 where: short stacking energy: -878.410 Base-Backbone interact. energy: 3.966 local terms energy: -910.026461 where: bonds (distance) C4'-P energy: -165.436 bonds (distance) P-C4' energy: -170.763 flat angles C4'-P-C4' energy: -190.139 flat angles P-C4'-P energy: -135.834 tors. eta vs tors. theta energy: -247.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2844.311195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.311195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.311195 (E_RNA) where: Base-Base interactions energy: -1960.131 where: short stacking energy: -849.820 Base-Backbone interact. energy: -2.502 local terms energy: -881.677790 where: bonds (distance) C4'-P energy: -163.885 bonds (distance) P-C4' energy: -151.303 flat angles C4'-P-C4' energy: -196.191 flat angles P-C4'-P energy: -124.545 tors. eta vs tors. theta energy: -245.754 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: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2646.006182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.006182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.006182 (E_RNA) where: Base-Base interactions energy: -1830.802 where: short stacking energy: -803.308 Base-Backbone interact. energy: -3.428 local terms energy: -811.776809 where: bonds (distance) C4'-P energy: -159.595 bonds (distance) P-C4' energy: -159.735 flat angles C4'-P-C4' energy: -165.958 flat angles P-C4'-P energy: -101.950 tors. eta vs tors. theta energy: -224.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2520.385905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.385905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.385905 (E_RNA) where: Base-Base interactions energy: -1752.118 where: short stacking energy: -734.671 Base-Backbone interact. energy: -1.473 local terms energy: -766.795764 where: bonds (distance) C4'-P energy: -142.477 bonds (distance) P-C4' energy: -140.499 flat angles C4'-P-C4' energy: -175.427 flat angles P-C4'-P energy: -99.493 tors. eta vs tors. theta energy: -208.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2334.683169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.683169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.683169 (E_RNA) where: Base-Base interactions energy: -1600.599 where: short stacking energy: -674.658 Base-Backbone interact. energy: -1.002 local terms energy: -733.082198 where: bonds (distance) C4'-P energy: -140.791 bonds (distance) P-C4' energy: -150.956 flat angles C4'-P-C4' energy: -161.461 flat angles P-C4'-P energy: -108.326 tors. eta vs tors. theta energy: -171.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2188.345307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.345307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.345307 (E_RNA) where: Base-Base interactions energy: -1506.201 where: short stacking energy: -636.721 Base-Backbone interact. energy: 0.183 local terms energy: -682.327592 where: bonds (distance) C4'-P energy: -135.851 bonds (distance) P-C4' energy: -140.209 flat angles C4'-P-C4' energy: -147.692 flat angles P-C4'-P energy: -89.529 tors. eta vs tors. theta energy: -169.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1734.794460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.794460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.794460 (E_RNA) where: Base-Base interactions energy: -1132.397 where: short stacking energy: -515.741 Base-Backbone interact. energy: 2.008 local terms energy: -604.406192 where: bonds (distance) C4'-P energy: -122.409 bonds (distance) P-C4' energy: -139.319 flat angles C4'-P-C4' energy: -148.251 flat angles P-C4'-P energy: -102.212 tors. eta vs tors. theta energy: -92.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1457.035002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.035002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.035002 (E_RNA) where: Base-Base interactions energy: -918.874 where: short stacking energy: -410.294 Base-Backbone interact. energy: -2.521 local terms energy: -535.639755 where: bonds (distance) C4'-P energy: -131.341 bonds (distance) P-C4' energy: -149.875 flat angles C4'-P-C4' energy: -131.424 flat angles P-C4'-P energy: -75.962 tors. eta vs tors. theta energy: -47.039 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: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1107.817387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.817387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.817387 (E_RNA) where: Base-Base interactions energy: -633.176 where: short stacking energy: -295.228 Base-Backbone interact. energy: -0.282 local terms energy: -474.359290 where: bonds (distance) C4'-P energy: -126.582 bonds (distance) P-C4' energy: -138.615 flat angles C4'-P-C4' energy: -121.358 flat angles P-C4'-P energy: -83.285 tors. eta vs tors. theta energy: -4.520 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: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3105.693517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.693517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.693517 (E_RNA) where: Base-Base interactions energy: -2140.991 where: short stacking energy: -937.807 Base-Backbone interact. energy: -2.418 local terms energy: -962.284537 where: bonds (distance) C4'-P energy: -178.945 bonds (distance) P-C4' energy: -174.362 flat angles C4'-P-C4' energy: -196.287 flat angles P-C4'-P energy: -137.051 tors. eta vs tors. theta energy: -275.639 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: 390 Temperature: 0.950000 Total energy: -2966.258558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.258558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.258558 (E_RNA) where: Base-Base interactions energy: -2069.614 where: short stacking energy: -882.426 Base-Backbone interact. energy: -7.017 local terms energy: -889.627549 where: bonds (distance) C4'-P energy: -156.672 bonds (distance) P-C4' energy: -173.724 flat angles C4'-P-C4' energy: -183.289 flat angles P-C4'-P energy: -113.949 tors. eta vs tors. theta energy: -261.994 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: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2807.936076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.936076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.936076 (E_RNA) where: Base-Base interactions energy: -1980.624 where: short stacking energy: -825.884 Base-Backbone interact. energy: -1.414 local terms energy: -825.897664 where: bonds (distance) C4'-P energy: -138.252 bonds (distance) P-C4' energy: -165.428 flat angles C4'-P-C4' energy: -172.041 flat angles P-C4'-P energy: -113.357 tors. eta vs tors. theta energy: -236.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2686.482464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.482464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.482464 (E_RNA) where: Base-Base interactions energy: -1873.465 where: short stacking energy: -807.143 Base-Backbone interact. energy: -0.385 local terms energy: -812.633028 where: bonds (distance) C4'-P energy: -147.374 bonds (distance) P-C4' energy: -157.735 flat angles C4'-P-C4' energy: -167.650 flat angles P-C4'-P energy: -111.673 tors. eta vs tors. theta energy: -228.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2550.484576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.484576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.484576 (E_RNA) where: Base-Base interactions energy: -1741.177 where: short stacking energy: -719.729 Base-Backbone interact. energy: -3.261 local terms energy: -806.047210 where: bonds (distance) C4'-P energy: -153.199 bonds (distance) P-C4' energy: -147.563 flat angles C4'-P-C4' energy: -193.691 flat angles P-C4'-P energy: -108.366 tors. eta vs tors. theta energy: -203.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2323.494753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.494753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.494753 (E_RNA) where: Base-Base interactions energy: -1562.560 where: short stacking energy: -674.599 Base-Backbone interact. energy: -0.104 local terms energy: -760.831299 where: bonds (distance) C4'-P energy: -150.764 bonds (distance) P-C4' energy: -149.149 flat angles C4'-P-C4' energy: -175.177 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -173.439 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: 390 Temperature: 1.200000 Total energy: -2169.412796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.412796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.412796 (E_RNA) where: Base-Base interactions energy: -1459.656 where: short stacking energy: -623.487 Base-Backbone interact. energy: -4.589 local terms energy: -705.168379 where: bonds (distance) C4'-P energy: -160.190 bonds (distance) P-C4' energy: -150.290 flat angles C4'-P-C4' energy: -153.358 flat angles P-C4'-P energy: -89.485 tors. eta vs tors. theta energy: -151.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1809.188778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.188778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.188778 (E_RNA) where: Base-Base interactions energy: -1205.329 where: short stacking energy: -547.182 Base-Backbone interact. energy: 0.532 local terms energy: -604.391296 where: bonds (distance) C4'-P energy: -140.694 bonds (distance) P-C4' energy: -127.737 flat angles C4'-P-C4' energy: -144.683 flat angles P-C4'-P energy: -85.242 tors. eta vs tors. theta energy: -106.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1517.218747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.218747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.218747 (E_RNA) where: Base-Base interactions energy: -972.282 where: short stacking energy: -435.379 Base-Backbone interact. energy: -3.202 local terms energy: -541.734437 where: bonds (distance) C4'-P energy: -132.966 bonds (distance) P-C4' energy: -155.464 flat angles C4'-P-C4' energy: -124.971 flat angles P-C4'-P energy: -63.634 tors. eta vs tors. theta energy: -64.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1114.985986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.985986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.985986 (E_RNA) where: Base-Base interactions energy: -645.037 where: short stacking energy: -294.833 Base-Backbone interact. energy: 1.914 local terms energy: -471.863470 where: bonds (distance) C4'-P energy: -141.051 bonds (distance) P-C4' energy: -140.494 flat angles C4'-P-C4' energy: -112.929 flat angles P-C4'-P energy: -74.022 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3097.284173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.284173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.284173 (E_RNA) where: Base-Base interactions energy: -2169.772 where: short stacking energy: -930.214 Base-Backbone interact. energy: -1.014 local terms energy: -926.497781 where: bonds (distance) C4'-P energy: -159.616 bonds (distance) P-C4' energy: -163.504 flat angles C4'-P-C4' energy: -206.846 flat angles P-C4'-P energy: -122.272 tors. eta vs tors. theta energy: -274.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2974.551912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.551912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.551912 (E_RNA) where: Base-Base interactions energy: -2084.572 where: short stacking energy: -886.150 Base-Backbone interact. energy: -1.884 local terms energy: -888.095864 where: bonds (distance) C4'-P energy: -153.829 bonds (distance) P-C4' energy: -160.538 flat angles C4'-P-C4' energy: -198.899 flat angles P-C4'-P energy: -129.277 tors. eta vs tors. theta energy: -245.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2782.407196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.407196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.407196 (E_RNA) where: Base-Base interactions energy: -1927.757 where: short stacking energy: -799.883 Base-Backbone interact. energy: -5.267 local terms energy: -849.383038 where: bonds (distance) C4'-P energy: -159.128 bonds (distance) P-C4' energy: -171.565 flat angles C4'-P-C4' energy: -176.668 flat angles P-C4'-P energy: -119.819 tors. eta vs tors. theta energy: -222.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2690.977301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.977301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.977301 (E_RNA) where: Base-Base interactions energy: -1867.591 where: short stacking energy: -818.351 Base-Backbone interact. energy: 0.429 local terms energy: -823.815898 where: bonds (distance) C4'-P energy: -155.291 bonds (distance) P-C4' energy: -164.155 flat angles C4'-P-C4' energy: -169.142 flat angles P-C4'-P energy: -108.939 tors. eta vs tors. theta energy: -226.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2528.190228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.190228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.190228 (E_RNA) where: Base-Base interactions energy: -1723.786 where: short stacking energy: -753.239 Base-Backbone interact. energy: -3.318 local terms energy: -801.085772 where: bonds (distance) C4'-P energy: -161.561 bonds (distance) P-C4' energy: -150.617 flat angles C4'-P-C4' energy: -164.974 flat angles P-C4'-P energy: -117.024 tors. eta vs tors. theta energy: -206.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2358.519204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.519204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.519204 (E_RNA) where: Base-Base interactions energy: -1578.846 where: short stacking energy: -725.858 Base-Backbone interact. energy: 0.563 local terms energy: -780.236521 where: bonds (distance) C4'-P energy: -150.330 bonds (distance) P-C4' energy: -162.405 flat angles C4'-P-C4' energy: -174.867 flat angles P-C4'-P energy: -97.932 tors. eta vs tors. theta energy: -194.702 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: 391 Temperature: 1.200000 Total energy: -2188.737761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.737761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.737761 (E_RNA) where: Base-Base interactions energy: -1474.499 where: short stacking energy: -650.967 Base-Backbone interact. energy: 3.135 local terms energy: -717.373678 where: bonds (distance) C4'-P energy: -150.513 bonds (distance) P-C4' energy: -140.238 flat angles C4'-P-C4' energy: -135.506 flat angles P-C4'-P energy: -90.170 tors. eta vs tors. theta energy: -200.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1764.278355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.278355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.278355 (E_RNA) where: Base-Base interactions energy: -1135.784 where: short stacking energy: -509.783 Base-Backbone interact. energy: -3.578 local terms energy: -624.916151 where: bonds (distance) C4'-P energy: -138.133 bonds (distance) P-C4' energy: -138.903 flat angles C4'-P-C4' energy: -150.585 flat angles P-C4'-P energy: -89.240 tors. eta vs tors. theta energy: -108.056 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: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1608.481987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.481987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.481987 (E_RNA) where: Base-Base interactions energy: -1061.105 where: short stacking energy: -481.101 Base-Backbone interact. energy: 1.870 local terms energy: -549.246720 where: bonds (distance) C4'-P energy: -119.826 bonds (distance) P-C4' energy: -110.281 flat angles C4'-P-C4' energy: -141.881 flat angles P-C4'-P energy: -88.485 tors. eta vs tors. theta energy: -88.773 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: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1010.363180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.363180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.363180 (E_RNA) where: Base-Base interactions energy: -564.000 where: short stacking energy: -295.806 Base-Backbone interact. energy: 1.092 local terms energy: -447.455632 where: bonds (distance) C4'-P energy: -147.491 bonds (distance) P-C4' energy: -121.014 flat angles C4'-P-C4' energy: -111.368 flat angles P-C4'-P energy: -68.699 tors. eta vs tors. theta energy: 1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3102.487538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.487538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.487538 (E_RNA) where: Base-Base interactions energy: -2134.511 where: short stacking energy: -941.950 Base-Backbone interact. energy: 0.695 local terms energy: -968.670919 where: bonds (distance) C4'-P energy: -186.258 bonds (distance) P-C4' energy: -166.722 flat angles C4'-P-C4' energy: -197.936 flat angles P-C4'-P energy: -139.290 tors. eta vs tors. theta energy: -278.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2974.818027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.818027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.818027 (E_RNA) where: Base-Base interactions energy: -2085.625 where: short stacking energy: -875.462 Base-Backbone interact. energy: -0.876 local terms energy: -888.316349 where: bonds (distance) C4'-P energy: -161.974 bonds (distance) P-C4' energy: -172.611 flat angles C4'-P-C4' energy: -189.419 flat angles P-C4'-P energy: -117.841 tors. eta vs tors. theta energy: -246.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2825.447965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.447965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.447965 (E_RNA) where: Base-Base interactions energy: -1981.277 where: short stacking energy: -811.601 Base-Backbone interact. energy: -3.243 local terms energy: -840.928003 where: bonds (distance) C4'-P energy: -164.812 bonds (distance) P-C4' energy: -163.005 flat angles C4'-P-C4' energy: -171.506 flat angles P-C4'-P energy: -105.331 tors. eta vs tors. theta energy: -236.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2680.278648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.278648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.278648 (E_RNA) where: Base-Base interactions energy: -1841.882 where: short stacking energy: -775.520 Base-Backbone interact. energy: -2.044 local terms energy: -836.353188 where: bonds (distance) C4'-P energy: -180.892 bonds (distance) P-C4' energy: -144.020 flat angles C4'-P-C4' energy: -168.425 flat angles P-C4'-P energy: -120.591 tors. eta vs tors. theta energy: -222.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2543.253668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.253668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.253668 (E_RNA) where: Base-Base interactions energy: -1751.940 where: short stacking energy: -745.285 Base-Backbone interact. energy: -5.793 local terms energy: -785.520121 where: bonds (distance) C4'-P energy: -152.614 bonds (distance) P-C4' energy: -153.334 flat angles C4'-P-C4' energy: -175.520 flat angles P-C4'-P energy: -115.702 tors. eta vs tors. theta energy: -188.350 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: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2292.087619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.087619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.087619 (E_RNA) where: Base-Base interactions energy: -1560.084 where: short stacking energy: -665.380 Base-Backbone interact. energy: 2.832 local terms energy: -734.834873 where: bonds (distance) C4'-P energy: -154.510 bonds (distance) P-C4' energy: -149.667 flat angles C4'-P-C4' energy: -160.500 flat angles P-C4'-P energy: -98.339 tors. eta vs tors. theta energy: -171.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2208.999997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.999997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.999997 (E_RNA) where: Base-Base interactions energy: -1489.941 where: short stacking energy: -673.210 Base-Backbone interact. energy: -0.055 local terms energy: -719.003971 where: bonds (distance) C4'-P energy: -157.796 bonds (distance) P-C4' energy: -151.257 flat angles C4'-P-C4' energy: -147.323 flat angles P-C4'-P energy: -81.976 tors. eta vs tors. theta energy: -180.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1792.971601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.971601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.971601 (E_RNA) where: Base-Base interactions energy: -1196.006 where: short stacking energy: -524.372 Base-Backbone interact. energy: -2.022 local terms energy: -594.943087 where: bonds (distance) C4'-P energy: -132.175 bonds (distance) P-C4' energy: -127.286 flat angles C4'-P-C4' energy: -124.961 flat angles P-C4'-P energy: -100.407 tors. eta vs tors. theta energy: -110.114 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: 4 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1631.185969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.185969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.185969 (E_RNA) where: Base-Base interactions energy: -1057.625 where: short stacking energy: -490.024 Base-Backbone interact. energy: -4.411 local terms energy: -569.149610 where: bonds (distance) C4'-P energy: -132.621 bonds (distance) P-C4' energy: -125.388 flat angles C4'-P-C4' energy: -140.610 flat angles P-C4'-P energy: -83.018 tors. eta vs tors. theta energy: -87.512 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: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1113.375088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.375088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.375088 (E_RNA) where: Base-Base interactions energy: -630.125 where: short stacking energy: -301.950 Base-Backbone interact. energy: 5.370 local terms energy: -488.619709 where: bonds (distance) C4'-P energy: -132.917 bonds (distance) P-C4' energy: -143.854 flat angles C4'-P-C4' energy: -135.883 flat angles P-C4'-P energy: -62.787 tors. eta vs tors. theta energy: -13.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3023.624392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.624392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.624392 (E_RNA) where: Base-Base interactions energy: -2103.832 where: short stacking energy: -909.743 Base-Backbone interact. energy: -4.141 local terms energy: -915.651548 where: bonds (distance) C4'-P energy: -167.583 bonds (distance) P-C4' energy: -163.726 flat angles C4'-P-C4' energy: -183.879 flat angles P-C4'-P energy: -139.464 tors. eta vs tors. theta energy: -261.000 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: 393 Temperature: 0.950000 Total energy: -2942.666456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.666456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.666456 (E_RNA) where: Base-Base interactions energy: -2059.726 where: short stacking energy: -876.018 Base-Backbone interact. energy: -1.799 local terms energy: -881.142312 where: bonds (distance) C4'-P energy: -164.782 bonds (distance) P-C4' energy: -155.356 flat angles C4'-P-C4' energy: -192.883 flat angles P-C4'-P energy: -124.269 tors. eta vs tors. theta energy: -243.853 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: 6 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2858.310473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.310473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.310473 (E_RNA) where: Base-Base interactions energy: -2002.501 where: short stacking energy: -854.130 Base-Backbone interact. energy: -0.185 local terms energy: -855.624146 where: bonds (distance) C4'-P energy: -148.598 bonds (distance) P-C4' energy: -147.951 flat angles C4'-P-C4' energy: -197.812 flat angles P-C4'-P energy: -115.933 tors. eta vs tors. theta energy: -245.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2679.620532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.620532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.620532 (E_RNA) where: Base-Base interactions energy: -1863.281 where: short stacking energy: -822.505 Base-Backbone interact. energy: -5.241 local terms energy: -811.099124 where: bonds (distance) C4'-P energy: -153.959 bonds (distance) P-C4' energy: -147.902 flat angles C4'-P-C4' energy: -167.607 flat angles P-C4'-P energy: -99.484 tors. eta vs tors. theta energy: -242.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2499.234312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.234312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.234312 (E_RNA) where: Base-Base interactions energy: -1720.386 where: short stacking energy: -759.902 Base-Backbone interact. energy: 1.142 local terms energy: -779.990561 where: bonds (distance) C4'-P energy: -146.625 bonds (distance) P-C4' energy: -148.408 flat angles C4'-P-C4' energy: -159.710 flat angles P-C4'-P energy: -113.424 tors. eta vs tors. theta energy: -211.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2275.073459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.073459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.073459 (E_RNA) where: Base-Base interactions energy: -1515.106 where: short stacking energy: -673.447 Base-Backbone interact. energy: -1.064 local terms energy: -758.902969 where: bonds (distance) C4'-P energy: -157.678 bonds (distance) P-C4' energy: -160.715 flat angles C4'-P-C4' energy: -155.560 flat angles P-C4'-P energy: -103.915 tors. eta vs tors. theta energy: -181.034 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: 1 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2145.507261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.507261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.507261 (E_RNA) where: Base-Base interactions energy: -1490.004 where: short stacking energy: -640.398 Base-Backbone interact. energy: 1.625 local terms energy: -657.127694 where: bonds (distance) C4'-P energy: -109.114 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -154.797 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -155.110 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: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1819.874179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.874179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.874179 (E_RNA) where: Base-Base interactions energy: -1220.541 where: short stacking energy: -549.055 Base-Backbone interact. energy: -5.509 local terms energy: -593.824375 where: bonds (distance) C4'-P energy: -144.164 bonds (distance) P-C4' energy: -120.113 flat angles C4'-P-C4' energy: -150.420 flat angles P-C4'-P energy: -87.752 tors. eta vs tors. theta energy: -91.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1598.803800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.803800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.803800 (E_RNA) where: Base-Base interactions energy: -1043.673 where: short stacking energy: -461.003 Base-Backbone interact. energy: -4.114 local terms energy: -551.016174 where: bonds (distance) C4'-P energy: -120.693 bonds (distance) P-C4' energy: -139.265 flat angles C4'-P-C4' energy: -134.815 flat angles P-C4'-P energy: -78.603 tors. eta vs tors. theta energy: -77.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1073.557678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.557678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.557678 (E_RNA) where: Base-Base interactions energy: -602.739 where: short stacking energy: -320.536 Base-Backbone interact. energy: 1.108 local terms energy: -471.927095 where: bonds (distance) C4'-P energy: -128.690 bonds (distance) P-C4' energy: -136.330 flat angles C4'-P-C4' energy: -123.271 flat angles P-C4'-P energy: -67.391 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3038.112533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.112533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.112533 (E_RNA) where: Base-Base interactions energy: -2133.957 where: short stacking energy: -928.949 Base-Backbone interact. energy: -0.386 local terms energy: -903.770018 where: bonds (distance) C4'-P energy: -162.704 bonds (distance) P-C4' energy: -162.862 flat angles C4'-P-C4' energy: -192.517 flat angles P-C4'-P energy: -124.029 tors. eta vs tors. theta energy: -261.658 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: 2, replica: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2960.000572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.000572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.000572 (E_RNA) where: Base-Base interactions energy: -2068.457 where: short stacking energy: -886.222 Base-Backbone interact. energy: 0.546 local terms energy: -892.090509 where: bonds (distance) C4'-P energy: -163.850 bonds (distance) P-C4' energy: -167.226 flat angles C4'-P-C4' energy: -193.139 flat angles P-C4'-P energy: -119.724 tors. eta vs tors. theta energy: -248.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2785.425276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.425276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.425276 (E_RNA) where: Base-Base interactions energy: -1948.827 where: short stacking energy: -842.884 Base-Backbone interact. energy: -1.911 local terms energy: -834.687472 where: bonds (distance) C4'-P energy: -155.426 bonds (distance) P-C4' energy: -147.611 flat angles C4'-P-C4' energy: -168.133 flat angles P-C4'-P energy: -122.171 tors. eta vs tors. theta energy: -241.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2673.016483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.016483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.016483 (E_RNA) where: Base-Base interactions energy: -1864.685 where: short stacking energy: -797.578 Base-Backbone interact. energy: -5.582 local terms energy: -802.749115 where: bonds (distance) C4'-P energy: -146.218 bonds (distance) P-C4' energy: -135.141 flat angles C4'-P-C4' energy: -181.000 flat angles P-C4'-P energy: -110.824 tors. eta vs tors. theta energy: -229.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2537.783987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.783987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.783987 (E_RNA) where: Base-Base interactions energy: -1765.633 where: short stacking energy: -764.146 Base-Backbone interact. energy: 0.963 local terms energy: -773.113813 where: bonds (distance) C4'-P energy: -126.207 bonds (distance) P-C4' energy: -141.394 flat angles C4'-P-C4' energy: -185.345 flat angles P-C4'-P energy: -108.262 tors. eta vs tors. theta energy: -211.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2293.530751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.530751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.530751 (E_RNA) where: Base-Base interactions energy: -1530.369 where: short stacking energy: -698.662 Base-Backbone interact. energy: -0.375 local terms energy: -762.786710 where: bonds (distance) C4'-P energy: -149.779 bonds (distance) P-C4' energy: -149.312 flat angles C4'-P-C4' energy: -158.133 flat angles P-C4'-P energy: -106.831 tors. eta vs tors. theta energy: -198.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2176.416388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.416388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.416388 (E_RNA) where: Base-Base interactions energy: -1503.699 where: short stacking energy: -666.879 Base-Backbone interact. energy: -1.927 local terms energy: -670.790779 where: bonds (distance) C4'-P energy: -132.637 bonds (distance) P-C4' energy: -127.462 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -104.910 tors. eta vs tors. theta energy: -153.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1772.580251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.580251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.580251 (E_RNA) where: Base-Base interactions energy: -1139.041 where: short stacking energy: -520.279 Base-Backbone interact. energy: -0.582 local terms energy: -632.957404 where: bonds (distance) C4'-P energy: -149.612 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -157.496 flat angles P-C4'-P energy: -97.392 tors. eta vs tors. theta energy: -95.429 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: 9, replica: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1634.632917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.632917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.632917 (E_RNA) where: Base-Base interactions energy: -1102.419 where: short stacking energy: -509.716 Base-Backbone interact. energy: 3.410 local terms energy: -535.624579 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -103.561 flat angles C4'-P-C4' energy: -140.841 flat angles P-C4'-P energy: -72.377 tors. eta vs tors. theta energy: -103.663 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: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1092.684847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.684847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.684847 (E_RNA) where: Base-Base interactions energy: -605.840 where: short stacking energy: -329.322 Base-Backbone interact. energy: 2.122 local terms energy: -488.966781 where: bonds (distance) C4'-P energy: -134.021 bonds (distance) P-C4' energy: -122.547 flat angles C4'-P-C4' energy: -123.716 flat angles P-C4'-P energy: -81.491 tors. eta vs tors. theta energy: -27.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3077.491878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.491878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.491878 (E_RNA) where: Base-Base interactions energy: -2110.026 where: short stacking energy: -938.105 Base-Backbone interact. energy: 1.618 local terms energy: -969.083662 where: bonds (distance) C4'-P energy: -166.518 bonds (distance) P-C4' energy: -180.691 flat angles C4'-P-C4' energy: -208.088 flat angles P-C4'-P energy: -137.474 tors. eta vs tors. theta energy: -276.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2982.054333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.054333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.054333 (E_RNA) where: Base-Base interactions energy: -2088.799 where: short stacking energy: -882.742 Base-Backbone interact. energy: -3.481 local terms energy: -889.773646 where: bonds (distance) C4'-P energy: -154.387 bonds (distance) P-C4' energy: -164.987 flat angles C4'-P-C4' energy: -193.121 flat angles P-C4'-P energy: -122.082 tors. eta vs tors. theta energy: -255.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2791.430842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.430842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.430842 (E_RNA) where: Base-Base interactions energy: -1985.226 where: short stacking energy: -841.960 Base-Backbone interact. energy: -3.397 local terms energy: -802.807813 where: bonds (distance) C4'-P energy: -141.754 bonds (distance) P-C4' energy: -159.446 flat angles C4'-P-C4' energy: -162.920 flat angles P-C4'-P energy: -107.862 tors. eta vs tors. theta energy: -230.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2664.478040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.478040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.478040 (E_RNA) where: Base-Base interactions energy: -1859.730 where: short stacking energy: -796.073 Base-Backbone interact. energy: 3.800 local terms energy: -808.548132 where: bonds (distance) C4'-P energy: -154.983 bonds (distance) P-C4' energy: -137.083 flat angles C4'-P-C4' energy: -179.987 flat angles P-C4'-P energy: -107.166 tors. eta vs tors. theta energy: -229.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2569.314521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.314521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.314521 (E_RNA) where: Base-Base interactions energy: -1763.777 where: short stacking energy: -773.792 Base-Backbone interact. energy: -1.983 local terms energy: -803.554166 where: bonds (distance) C4'-P energy: -148.830 bonds (distance) P-C4' energy: -171.467 flat angles C4'-P-C4' energy: -167.492 flat angles P-C4'-P energy: -110.951 tors. eta vs tors. theta energy: -204.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2334.763903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.763903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.763903 (E_RNA) where: Base-Base interactions energy: -1587.315 where: short stacking energy: -715.255 Base-Backbone interact. energy: -2.056 local terms energy: -745.392632 where: bonds (distance) C4'-P energy: -157.980 bonds (distance) P-C4' energy: -140.812 flat angles C4'-P-C4' energy: -170.850 flat angles P-C4'-P energy: -94.627 tors. eta vs tors. theta energy: -181.124 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: 395 Temperature: 1.200000 Total energy: -2133.226530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.226530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.226530 (E_RNA) where: Base-Base interactions energy: -1452.855 where: short stacking energy: -655.876 Base-Backbone interact. energy: -2.614 local terms energy: -677.757816 where: bonds (distance) C4'-P energy: -132.375 bonds (distance) P-C4' energy: -148.665 flat angles C4'-P-C4' energy: -152.017 flat angles P-C4'-P energy: -94.927 tors. eta vs tors. theta energy: -149.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1765.111159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.111159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.111159 (E_RNA) where: Base-Base interactions energy: -1126.487 where: short stacking energy: -498.649 Base-Backbone interact. energy: 0.180 local terms energy: -638.804011 where: bonds (distance) C4'-P energy: -151.373 bonds (distance) P-C4' energy: -135.680 flat angles C4'-P-C4' energy: -147.745 flat angles P-C4'-P energy: -96.748 tors. eta vs tors. theta energy: -107.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1752.376167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.376167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.376167 (E_RNA) where: Base-Base interactions energy: -1182.713 where: short stacking energy: -501.888 Base-Backbone interact. energy: -5.012 local terms energy: -564.650577 where: bonds (distance) C4'-P energy: -136.269 bonds (distance) P-C4' energy: -136.539 flat angles C4'-P-C4' energy: -108.956 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: -102.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1076.770015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.770015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.770015 (E_RNA) where: Base-Base interactions energy: -594.197 where: short stacking energy: -328.809 Base-Backbone interact. energy: 4.971 local terms energy: -487.543818 where: bonds (distance) C4'-P energy: -148.410 bonds (distance) P-C4' energy: -157.325 flat angles C4'-P-C4' energy: -97.740 flat angles P-C4'-P energy: -55.694 tors. eta vs tors. theta energy: -28.375 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: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3039.297536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.297536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.297536 (E_RNA) where: Base-Base interactions energy: -2112.434 where: short stacking energy: -878.288 Base-Backbone interact. energy: 0.723 local terms energy: -927.586032 where: bonds (distance) C4'-P energy: -171.686 bonds (distance) P-C4' energy: -189.851 flat angles C4'-P-C4' energy: -196.996 flat angles P-C4'-P energy: -127.579 tors. eta vs tors. theta energy: -241.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -3004.126001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.126001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.126001 (E_RNA) where: Base-Base interactions energy: -2067.580 where: short stacking energy: -904.959 Base-Backbone interact. energy: 0.462 local terms energy: -937.007500 where: bonds (distance) C4'-P energy: -169.158 bonds (distance) P-C4' energy: -167.240 flat angles C4'-P-C4' energy: -198.424 flat angles P-C4'-P energy: -131.419 tors. eta vs tors. theta energy: -270.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2825.227127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.227127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.227127 (E_RNA) where: Base-Base interactions energy: -1999.746 where: short stacking energy: -836.047 Base-Backbone interact. energy: -4.901 local terms energy: -820.579573 where: bonds (distance) C4'-P energy: -155.020 bonds (distance) P-C4' energy: -147.120 flat angles C4'-P-C4' energy: -177.047 flat angles P-C4'-P energy: -113.878 tors. eta vs tors. theta energy: -227.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2675.122137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.122137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.122137 (E_RNA) where: Base-Base interactions energy: -1878.765 where: short stacking energy: -794.275 Base-Backbone interact. energy: 10.006 local terms energy: -806.363265 where: bonds (distance) C4'-P energy: -145.485 bonds (distance) P-C4' energy: -150.286 flat angles C4'-P-C4' energy: -176.431 flat angles P-C4'-P energy: -109.408 tors. eta vs tors. theta energy: -224.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2558.969882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.969882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.969882 (E_RNA) where: Base-Base interactions energy: -1771.135 where: short stacking energy: -732.930 Base-Backbone interact. energy: 2.916 local terms energy: -790.750566 where: bonds (distance) C4'-P energy: -163.168 bonds (distance) P-C4' energy: -147.882 flat angles C4'-P-C4' energy: -172.036 flat angles P-C4'-P energy: -89.451 tors. eta vs tors. theta energy: -218.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2315.547280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.547280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.547280 (E_RNA) where: Base-Base interactions energy: -1585.361 where: short stacking energy: -695.046 Base-Backbone interact. energy: -2.232 local terms energy: -727.954107 where: bonds (distance) C4'-P energy: -121.582 bonds (distance) P-C4' energy: -146.663 flat angles C4'-P-C4' energy: -157.862 flat angles P-C4'-P energy: -113.314 tors. eta vs tors. theta energy: -188.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2136.584315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.584315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.584315 (E_RNA) where: Base-Base interactions energy: -1469.748 where: short stacking energy: -629.761 Base-Backbone interact. energy: -5.676 local terms energy: -661.160680 where: bonds (distance) C4'-P energy: -125.437 bonds (distance) P-C4' energy: -122.660 flat angles C4'-P-C4' energy: -157.708 flat angles P-C4'-P energy: -101.064 tors. eta vs tors. theta energy: -154.292 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: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1688.456905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.456905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.456905 (E_RNA) where: Base-Base interactions energy: -1103.051 where: short stacking energy: -494.690 Base-Backbone interact. energy: 2.126 local terms energy: -587.531679 where: bonds (distance) C4'-P energy: -133.868 bonds (distance) P-C4' energy: -142.437 flat angles C4'-P-C4' energy: -134.411 flat angles P-C4'-P energy: -92.582 tors. eta vs tors. theta energy: -84.233 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: 9, replica: 4 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1747.750827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.750827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.750827 (E_RNA) where: Base-Base interactions energy: -1155.670 where: short stacking energy: -509.060 Base-Backbone interact. energy: 5.912 local terms energy: -597.992908 where: bonds (distance) C4'-P energy: -139.895 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -147.771 flat angles P-C4'-P energy: -67.197 tors. eta vs tors. theta energy: -103.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1106.547335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.547335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.547335 (E_RNA) where: Base-Base interactions energy: -653.178 where: short stacking energy: -319.169 Base-Backbone interact. energy: 0.926 local terms energy: -454.295173 where: bonds (distance) C4'-P energy: -115.090 bonds (distance) P-C4' energy: -136.791 flat angles C4'-P-C4' energy: -126.556 flat angles P-C4'-P energy: -68.609 tors. eta vs tors. theta energy: -7.249 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: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3072.694858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.694858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.694858 (E_RNA) where: Base-Base interactions energy: -2139.077 where: short stacking energy: -892.130 Base-Backbone interact. energy: -2.005 local terms energy: -931.612879 where: bonds (distance) C4'-P energy: -149.336 bonds (distance) P-C4' energy: -180.566 flat angles C4'-P-C4' energy: -205.383 flat angles P-C4'-P energy: -133.293 tors. eta vs tors. theta energy: -263.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -3008.357043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.357043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.357043 (E_RNA) where: Base-Base interactions energy: -2085.267 where: short stacking energy: -920.868 Base-Backbone interact. energy: -5.260 local terms energy: -917.830287 where: bonds (distance) C4'-P energy: -158.716 bonds (distance) P-C4' energy: -169.472 flat angles C4'-P-C4' energy: -201.964 flat angles P-C4'-P energy: -127.019 tors. eta vs tors. theta energy: -260.659 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: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2802.416575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.416575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.416575 (E_RNA) where: Base-Base interactions energy: -1951.601 where: short stacking energy: -831.848 Base-Backbone interact. energy: -1.568 local terms energy: -849.247380 where: bonds (distance) C4'-P energy: -161.621 bonds (distance) P-C4' energy: -177.623 flat angles C4'-P-C4' energy: -176.183 flat angles P-C4'-P energy: -107.489 tors. eta vs tors. theta energy: -226.331 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: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2679.843570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.843570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.843570 (E_RNA) where: Base-Base interactions energy: -1816.882 where: short stacking energy: -771.878 Base-Backbone interact. energy: -5.950 local terms energy: -857.011293 where: bonds (distance) C4'-P energy: -159.829 bonds (distance) P-C4' energy: -169.712 flat angles C4'-P-C4' energy: -199.170 flat angles P-C4'-P energy: -118.223 tors. eta vs tors. theta energy: -210.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2586.815916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.815916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.815916 (E_RNA) where: Base-Base interactions energy: -1822.282 where: short stacking energy: -766.379 Base-Backbone interact. energy: -1.476 local terms energy: -763.058159 where: bonds (distance) C4'-P energy: -133.060 bonds (distance) P-C4' energy: -143.802 flat angles C4'-P-C4' energy: -170.940 flat angles P-C4'-P energy: -110.543 tors. eta vs tors. theta energy: -204.714 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: 397 Temperature: 1.150000 Total energy: -2309.419789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.419789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.419789 (E_RNA) where: Base-Base interactions energy: -1586.892 where: short stacking energy: -699.861 Base-Backbone interact. energy: -0.821 local terms energy: -721.707476 where: bonds (distance) C4'-P energy: -146.177 bonds (distance) P-C4' energy: -149.438 flat angles C4'-P-C4' energy: -159.864 flat angles P-C4'-P energy: -90.699 tors. eta vs tors. theta energy: -175.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2200.164464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.164464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.164464 (E_RNA) where: Base-Base interactions energy: -1521.594 where: short stacking energy: -637.535 Base-Backbone interact. energy: 2.771 local terms energy: -681.340863 where: bonds (distance) C4'-P energy: -148.218 bonds (distance) P-C4' energy: -154.720 flat angles C4'-P-C4' energy: -139.520 flat angles P-C4'-P energy: -88.708 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: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1830.940956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.940956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.940956 (E_RNA) where: Base-Base interactions energy: -1228.375 where: short stacking energy: -544.148 Base-Backbone interact. energy: 6.821 local terms energy: -609.387211 where: bonds (distance) C4'-P energy: -124.552 bonds (distance) P-C4' energy: -144.304 flat angles C4'-P-C4' energy: -131.073 flat angles P-C4'-P energy: -108.812 tors. eta vs tors. theta energy: -100.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1596.347390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.347390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.347390 (E_RNA) where: Base-Base interactions energy: -1025.103 where: short stacking energy: -462.177 Base-Backbone interact. energy: -3.868 local terms energy: -567.377097 where: bonds (distance) C4'-P energy: -131.174 bonds (distance) P-C4' energy: -134.389 flat angles C4'-P-C4' energy: -130.399 flat angles P-C4'-P energy: -88.570 tors. eta vs tors. theta energy: -82.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1223.754740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.754740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.754740 (E_RNA) where: Base-Base interactions energy: -740.484 where: short stacking energy: -354.653 Base-Backbone interact. energy: 2.967 local terms energy: -486.237823 where: bonds (distance) C4'-P energy: -114.707 bonds (distance) P-C4' energy: -148.071 flat angles C4'-P-C4' energy: -132.030 flat angles P-C4'-P energy: -68.409 tors. eta vs tors. theta energy: -23.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3055.079275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.079275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.079275 (E_RNA) where: Base-Base interactions energy: -2145.024 where: short stacking energy: -905.066 Base-Backbone interact. energy: -2.356 local terms energy: -907.699807 where: bonds (distance) C4'-P energy: -165.172 bonds (distance) P-C4' energy: -163.907 flat angles C4'-P-C4' energy: -195.704 flat angles P-C4'-P energy: -134.108 tors. eta vs tors. theta energy: -248.810 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: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2971.236146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.236146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.236146 (E_RNA) where: Base-Base interactions energy: -2033.941 where: short stacking energy: -880.356 Base-Backbone interact. energy: -0.953 local terms energy: -936.341471 where: bonds (distance) C4'-P energy: -165.766 bonds (distance) P-C4' energy: -196.547 flat angles C4'-P-C4' energy: -177.581 flat angles P-C4'-P energy: -141.423 tors. eta vs tors. theta energy: -255.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2805.772782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.772782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.772782 (E_RNA) where: Base-Base interactions energy: -1949.320 where: short stacking energy: -807.290 Base-Backbone interact. energy: -1.479 local terms energy: -854.973135 where: bonds (distance) C4'-P energy: -165.277 bonds (distance) P-C4' energy: -153.480 flat angles C4'-P-C4' energy: -183.288 flat angles P-C4'-P energy: -128.634 tors. eta vs tors. theta energy: -224.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2725.262358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.262358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.262358 (E_RNA) where: Base-Base interactions energy: -1867.784 where: short stacking energy: -793.733 Base-Backbone interact. energy: -3.726 local terms energy: -853.752447 where: bonds (distance) C4'-P energy: -149.072 bonds (distance) P-C4' energy: -168.605 flat angles C4'-P-C4' energy: -194.300 flat angles P-C4'-P energy: -105.522 tors. eta vs tors. theta energy: -236.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2584.539591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.539591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.539591 (E_RNA) where: Base-Base interactions energy: -1789.960 where: short stacking energy: -753.658 Base-Backbone interact. energy: -1.800 local terms energy: -792.779529 where: bonds (distance) C4'-P energy: -145.130 bonds (distance) P-C4' energy: -166.116 flat angles C4'-P-C4' energy: -176.770 flat angles P-C4'-P energy: -103.191 tors. eta vs tors. theta energy: -201.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2277.521208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.521208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.521208 (E_RNA) where: Base-Base interactions energy: -1535.129 where: short stacking energy: -706.321 Base-Backbone interact. energy: -1.547 local terms energy: -740.845011 where: bonds (distance) C4'-P energy: -143.058 bonds (distance) P-C4' energy: -154.571 flat angles C4'-P-C4' energy: -150.156 flat angles P-C4'-P energy: -111.100 tors. eta vs tors. theta energy: -181.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2145.370843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.370843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.370843 (E_RNA) where: Base-Base interactions energy: -1446.958 where: short stacking energy: -629.615 Base-Backbone interact. energy: -3.598 local terms energy: -694.814414 where: bonds (distance) C4'-P energy: -135.814 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -160.831 flat angles P-C4'-P energy: -102.458 tors. eta vs tors. theta energy: -158.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1824.681451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.681451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.681451 (E_RNA) where: Base-Base interactions energy: -1228.398 where: short stacking energy: -542.188 Base-Backbone interact. energy: 5.531 local terms energy: -601.814178 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -132.927 flat angles C4'-P-C4' energy: -139.017 flat angles P-C4'-P energy: -89.718 tors. eta vs tors. theta energy: -112.958 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: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1645.286652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.286652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.286652 (E_RNA) where: Base-Base interactions energy: -1060.722 where: short stacking energy: -482.259 Base-Backbone interact. energy: 0.526 local terms energy: -585.090821 where: bonds (distance) C4'-P energy: -137.582 bonds (distance) P-C4' energy: -137.052 flat angles C4'-P-C4' energy: -118.085 flat angles P-C4'-P energy: -79.746 tors. eta vs tors. theta energy: -112.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1193.634605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.634605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.634605 (E_RNA) where: Base-Base interactions energy: -748.307 where: short stacking energy: -320.687 Base-Backbone interact. energy: -1.499 local terms energy: -443.828420 where: bonds (distance) C4'-P energy: -123.368 bonds (distance) P-C4' energy: -119.659 flat angles C4'-P-C4' energy: -127.512 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -17.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3060.543053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.543053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.543053 (E_RNA) where: Base-Base interactions energy: -2134.438 where: short stacking energy: -907.242 Base-Backbone interact. energy: -3.991 local terms energy: -922.113895 where: bonds (distance) C4'-P energy: -163.249 bonds (distance) P-C4' energy: -159.097 flat angles C4'-P-C4' energy: -199.267 flat angles P-C4'-P energy: -134.010 tors. eta vs tors. theta energy: -266.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2993.017730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.017730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.017730 (E_RNA) where: Base-Base interactions energy: -2089.170 where: short stacking energy: -927.150 Base-Backbone interact. energy: 0.181 local terms energy: -904.029050 where: bonds (distance) C4'-P energy: -159.826 bonds (distance) P-C4' energy: -172.444 flat angles C4'-P-C4' energy: -187.411 flat angles P-C4'-P energy: -137.875 tors. eta vs tors. theta energy: -246.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2800.865069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.865069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.865069 (E_RNA) where: Base-Base interactions energy: -1953.349 where: short stacking energy: -831.084 Base-Backbone interact. energy: -3.310 local terms energy: -844.205818 where: bonds (distance) C4'-P energy: -161.970 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -180.365 flat angles P-C4'-P energy: -136.204 tors. eta vs tors. theta energy: -226.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2679.715983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.715983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.715983 (E_RNA) where: Base-Base interactions energy: -1841.212 where: short stacking energy: -786.132 Base-Backbone interact. energy: -4.654 local terms energy: -833.849192 where: bonds (distance) C4'-P energy: -165.256 bonds (distance) P-C4' energy: -152.722 flat angles C4'-P-C4' energy: -180.568 flat angles P-C4'-P energy: -106.147 tors. eta vs tors. theta energy: -229.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2531.486800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.486800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.486800 (E_RNA) where: Base-Base interactions energy: -1748.624 where: short stacking energy: -749.701 Base-Backbone interact. energy: -3.189 local terms energy: -779.673741 where: bonds (distance) C4'-P energy: -138.839 bonds (distance) P-C4' energy: -154.410 flat angles C4'-P-C4' energy: -171.704 flat angles P-C4'-P energy: -109.474 tors. eta vs tors. theta energy: -205.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2269.579603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.579603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.579603 (E_RNA) where: Base-Base interactions energy: -1533.032 where: short stacking energy: -667.668 Base-Backbone interact. energy: 0.761 local terms energy: -737.308426 where: bonds (distance) C4'-P energy: -136.654 bonds (distance) P-C4' energy: -162.371 flat angles C4'-P-C4' energy: -153.980 flat angles P-C4'-P energy: -113.905 tors. eta vs tors. theta energy: -170.399 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: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2127.132951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.132951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.132951 (E_RNA) where: Base-Base interactions energy: -1422.816 where: short stacking energy: -623.765 Base-Backbone interact. energy: -3.232 local terms energy: -701.085429 where: bonds (distance) C4'-P energy: -136.624 bonds (distance) P-C4' energy: -166.917 flat angles C4'-P-C4' energy: -165.247 flat angles P-C4'-P energy: -90.780 tors. eta vs tors. theta energy: -141.517 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: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1842.182986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.182986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.182986 (E_RNA) where: Base-Base interactions energy: -1241.723 where: short stacking energy: -540.120 Base-Backbone interact. energy: -2.881 local terms energy: -597.578394 where: bonds (distance) C4'-P energy: -125.501 bonds (distance) P-C4' energy: -125.093 flat angles C4'-P-C4' energy: -137.871 flat angles P-C4'-P energy: -99.579 tors. eta vs tors. theta energy: -109.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1727.559546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.559546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.559546 (E_RNA) where: Base-Base interactions energy: -1124.648 where: short stacking energy: -502.020 Base-Backbone interact. energy: -2.648 local terms energy: -600.263391 where: bonds (distance) C4'-P energy: -129.105 bonds (distance) P-C4' energy: -139.171 flat angles C4'-P-C4' energy: -133.350 flat angles P-C4'-P energy: -97.906 tors. eta vs tors. theta energy: -100.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1170.929580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.929580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.929580 (E_RNA) where: Base-Base interactions energy: -682.685 where: short stacking energy: -320.599 Base-Backbone interact. energy: 1.701 local terms energy: -489.945602 where: bonds (distance) C4'-P energy: -132.128 bonds (distance) P-C4' energy: -140.118 flat angles C4'-P-C4' energy: -118.674 flat angles P-C4'-P energy: -75.641 tors. eta vs tors. theta energy: -23.385 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: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3042.471815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.471815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.471815 (E_RNA) where: Base-Base interactions energy: -2147.430 where: short stacking energy: -909.277 Base-Backbone interact. energy: -1.695 local terms energy: -893.346332 where: bonds (distance) C4'-P energy: -153.637 bonds (distance) P-C4' energy: -163.424 flat angles C4'-P-C4' energy: -190.630 flat angles P-C4'-P energy: -132.300 tors. eta vs tors. theta energy: -253.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2941.809342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.809342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.809342 (E_RNA) where: Base-Base interactions energy: -2044.856 where: short stacking energy: -870.705 Base-Backbone interact. energy: -4.739 local terms energy: -892.214154 where: bonds (distance) C4'-P energy: -156.090 bonds (distance) P-C4' energy: -159.469 flat angles C4'-P-C4' energy: -184.649 flat angles P-C4'-P energy: -140.531 tors. eta vs tors. theta energy: -251.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2773.596495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.596495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.596495 (E_RNA) where: Base-Base interactions energy: -1913.253 where: short stacking energy: -812.820 Base-Backbone interact. energy: -2.862 local terms energy: -857.480710 where: bonds (distance) C4'-P energy: -161.820 bonds (distance) P-C4' energy: -160.894 flat angles C4'-P-C4' energy: -189.014 flat angles P-C4'-P energy: -117.011 tors. eta vs tors. theta energy: -228.742 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: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2760.307017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.307017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.307017 (E_RNA) where: Base-Base interactions energy: -1903.516 where: short stacking energy: -806.305 Base-Backbone interact. energy: -5.600 local terms energy: -851.190310 where: bonds (distance) C4'-P energy: -151.855 bonds (distance) P-C4' energy: -170.129 flat angles C4'-P-C4' energy: -188.787 flat angles P-C4'-P energy: -94.525 tors. eta vs tors. theta energy: -245.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2553.954107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.954107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.954107 (E_RNA) where: Base-Base interactions energy: -1779.339 where: short stacking energy: -762.996 Base-Backbone interact. energy: -1.981 local terms energy: -772.633626 where: bonds (distance) C4'-P energy: -140.501 bonds (distance) P-C4' energy: -137.107 flat angles C4'-P-C4' energy: -170.618 flat angles P-C4'-P energy: -108.870 tors. eta vs tors. theta energy: -215.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2244.039052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.039052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.039052 (E_RNA) where: Base-Base interactions energy: -1510.450 where: short stacking energy: -675.572 Base-Backbone interact. energy: 0.658 local terms energy: -734.247109 where: bonds (distance) C4'-P energy: -133.359 bonds (distance) P-C4' energy: -157.970 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -110.713 tors. eta vs tors. theta energy: -175.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2116.687889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.687889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.687889 (E_RNA) where: Base-Base interactions energy: -1446.754 where: short stacking energy: -633.744 Base-Backbone interact. energy: 1.299 local terms energy: -671.233387 where: bonds (distance) C4'-P energy: -130.574 bonds (distance) P-C4' energy: -144.600 flat angles C4'-P-C4' energy: -151.832 flat angles P-C4'-P energy: -104.928 tors. eta vs tors. theta energy: -139.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1846.247805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.247805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.247805 (E_RNA) where: Base-Base interactions energy: -1252.380 where: short stacking energy: -543.477 Base-Backbone interact. energy: -1.212 local terms energy: -592.655827 where: bonds (distance) C4'-P energy: -135.246 bonds (distance) P-C4' energy: -131.488 flat angles C4'-P-C4' energy: -135.013 flat angles P-C4'-P energy: -88.604 tors. eta vs tors. theta energy: -102.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1675.575386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.575386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.575386 (E_RNA) where: Base-Base interactions energy: -1076.088 where: short stacking energy: -475.914 Base-Backbone interact. energy: 1.888 local terms energy: -601.375436 where: bonds (distance) C4'-P energy: -154.791 bonds (distance) P-C4' energy: -139.805 flat angles C4'-P-C4' energy: -132.138 flat angles P-C4'-P energy: -89.803 tors. eta vs tors. theta energy: -84.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1185.935906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.935906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.935906 (E_RNA) where: Base-Base interactions energy: -698.021 where: short stacking energy: -336.004 Base-Backbone interact. energy: -0.831 local terms energy: -487.084137 where: bonds (distance) C4'-P energy: -128.838 bonds (distance) P-C4' energy: -114.767 flat angles C4'-P-C4' energy: -143.818 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -18.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3083.579237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.579237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.579237 (E_RNA) where: Base-Base interactions energy: -2156.517 where: short stacking energy: -918.350 Base-Backbone interact. energy: -6.207 local terms energy: -920.855623 where: bonds (distance) C4'-P energy: -167.228 bonds (distance) P-C4' energy: -168.870 flat angles C4'-P-C4' energy: -194.180 flat angles P-C4'-P energy: -130.097 tors. eta vs tors. theta energy: -260.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2942.595107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.595107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.595107 (E_RNA) where: Base-Base interactions energy: -2034.998 where: short stacking energy: -880.967 Base-Backbone interact. energy: -4.682 local terms energy: -902.914834 where: bonds (distance) C4'-P energy: -162.997 bonds (distance) P-C4' energy: -165.548 flat angles C4'-P-C4' energy: -188.483 flat angles P-C4'-P energy: -127.954 tors. eta vs tors. theta energy: -257.933 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: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2789.862643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.862643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.862643 (E_RNA) where: Base-Base interactions energy: -1943.813 where: short stacking energy: -830.542 Base-Backbone interact. energy: -1.071 local terms energy: -844.979140 where: bonds (distance) C4'-P energy: -144.631 bonds (distance) P-C4' energy: -157.620 flat angles C4'-P-C4' energy: -171.017 flat angles P-C4'-P energy: -136.350 tors. eta vs tors. theta energy: -235.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2747.626530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.626530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.626530 (E_RNA) where: Base-Base interactions energy: -1856.582 where: short stacking energy: -817.773 Base-Backbone interact. energy: 0.053 local terms energy: -891.097502 where: bonds (distance) C4'-P energy: -178.429 bonds (distance) P-C4' energy: -168.210 flat angles C4'-P-C4' energy: -179.311 flat angles P-C4'-P energy: -108.627 tors. eta vs tors. theta energy: -256.521 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: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2562.887048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.887048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.887048 (E_RNA) where: Base-Base interactions energy: -1770.190 where: short stacking energy: -745.636 Base-Backbone interact. energy: -3.044 local terms energy: -789.653484 where: bonds (distance) C4'-P energy: -147.776 bonds (distance) P-C4' energy: -160.794 flat angles C4'-P-C4' energy: -163.070 flat angles P-C4'-P energy: -113.418 tors. eta vs tors. theta energy: -204.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2310.452650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.452650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.452650 (E_RNA) where: Base-Base interactions energy: -1582.639 where: short stacking energy: -694.804 Base-Backbone interact. energy: -0.793 local terms energy: -727.020751 where: bonds (distance) C4'-P energy: -135.285 bonds (distance) P-C4' energy: -150.943 flat angles C4'-P-C4' energy: -158.368 flat angles P-C4'-P energy: -97.116 tors. eta vs tors. theta energy: -185.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2204.283467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.283467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.283467 (E_RNA) where: Base-Base interactions energy: -1493.850 where: short stacking energy: -623.614 Base-Backbone interact. energy: -4.392 local terms energy: -706.041795 where: bonds (distance) C4'-P energy: -148.372 bonds (distance) P-C4' energy: -142.532 flat angles C4'-P-C4' energy: -158.886 flat angles P-C4'-P energy: -99.171 tors. eta vs tors. theta energy: -157.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1867.367376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.367376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.367376 (E_RNA) where: Base-Base interactions energy: -1221.694 where: short stacking energy: -550.706 Base-Backbone interact. energy: -2.275 local terms energy: -643.397996 where: bonds (distance) C4'-P energy: -137.816 bonds (distance) P-C4' energy: -145.234 flat angles C4'-P-C4' energy: -139.056 flat angles P-C4'-P energy: -92.433 tors. eta vs tors. theta energy: -128.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1673.775215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.775215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.775215 (E_RNA) where: Base-Base interactions energy: -1111.387 where: short stacking energy: -500.986 Base-Backbone interact. energy: 6.587 local terms energy: -568.975388 where: bonds (distance) C4'-P energy: -129.704 bonds (distance) P-C4' energy: -139.539 flat angles C4'-P-C4' energy: -141.438 flat angles P-C4'-P energy: -75.988 tors. eta vs tors. theta energy: -82.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1182.705604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.705604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.705604 (E_RNA) where: Base-Base interactions energy: -706.991 where: short stacking energy: -348.897 Base-Backbone interact. energy: 10.355 local terms energy: -486.069882 where: bonds (distance) C4'-P energy: -111.334 bonds (distance) P-C4' energy: -146.807 flat angles C4'-P-C4' energy: -117.136 flat angles P-C4'-P energy: -69.264 tors. eta vs tors. theta energy: -41.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3073.773463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.773463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.773463 (E_RNA) where: Base-Base interactions energy: -2146.345 where: short stacking energy: -888.812 Base-Backbone interact. energy: -1.977 local terms energy: -925.450768 where: bonds (distance) C4'-P energy: -160.376 bonds (distance) P-C4' energy: -168.790 flat angles C4'-P-C4' energy: -190.228 flat angles P-C4'-P energy: -146.523 tors. eta vs tors. theta energy: -259.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2943.257847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.257847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.257847 (E_RNA) where: Base-Base interactions energy: -2033.799 where: short stacking energy: -886.207 Base-Backbone interact. energy: -1.679 local terms energy: -907.779775 where: bonds (distance) C4'-P energy: -165.383 bonds (distance) P-C4' energy: -161.423 flat angles C4'-P-C4' energy: -199.370 flat angles P-C4'-P energy: -122.863 tors. eta vs tors. theta energy: -258.741 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: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2820.119016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.119016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.119016 (E_RNA) where: Base-Base interactions energy: -1966.136 where: short stacking energy: -820.015 Base-Backbone interact. energy: -4.882 local terms energy: -849.101157 where: bonds (distance) C4'-P energy: -149.703 bonds (distance) P-C4' energy: -161.107 flat angles C4'-P-C4' energy: -181.237 flat angles P-C4'-P energy: -127.837 tors. eta vs tors. theta energy: -229.217 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: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2759.700591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.700591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.700591 (E_RNA) where: Base-Base interactions energy: -1938.583 where: short stacking energy: -835.841 Base-Backbone interact. energy: 2.423 local terms energy: -823.540603 where: bonds (distance) C4'-P energy: -139.677 bonds (distance) P-C4' energy: -153.662 flat angles C4'-P-C4' energy: -175.846 flat angles P-C4'-P energy: -108.788 tors. eta vs tors. theta energy: -245.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2571.691488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.691488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.691488 (E_RNA) where: Base-Base interactions energy: -1790.447 where: short stacking energy: -788.780 Base-Backbone interact. energy: -1.699 local terms energy: -779.545450 where: bonds (distance) C4'-P energy: -143.547 bonds (distance) P-C4' energy: -132.195 flat angles C4'-P-C4' energy: -180.428 flat angles P-C4'-P energy: -100.075 tors. eta vs tors. theta energy: -223.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2319.810148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.810148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.810148 (E_RNA) where: Base-Base interactions energy: -1552.308 where: short stacking energy: -714.210 Base-Backbone interact. energy: -0.267 local terms energy: -767.235828 where: bonds (distance) C4'-P energy: -142.763 bonds (distance) P-C4' energy: -153.743 flat angles C4'-P-C4' energy: -160.816 flat angles P-C4'-P energy: -119.957 tors. eta vs tors. theta energy: -189.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2230.065500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.065500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.065500 (E_RNA) where: Base-Base interactions energy: -1507.075 where: short stacking energy: -625.946 Base-Backbone interact. energy: -3.437 local terms energy: -719.553314 where: bonds (distance) C4'-P energy: -161.058 bonds (distance) P-C4' energy: -145.251 flat angles C4'-P-C4' energy: -149.787 flat angles P-C4'-P energy: -105.298 tors. eta vs tors. theta energy: -158.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1895.014421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.014421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.014421 (E_RNA) where: Base-Base interactions energy: -1269.679 where: short stacking energy: -540.913 Base-Backbone interact. energy: -3.476 local terms energy: -621.859720 where: bonds (distance) C4'-P energy: -131.934 bonds (distance) P-C4' energy: -129.556 flat angles C4'-P-C4' energy: -157.282 flat angles P-C4'-P energy: -94.721 tors. eta vs tors. theta energy: -108.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1779.435740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.435740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.435740 (E_RNA) where: Base-Base interactions energy: -1173.908 where: short stacking energy: -481.058 Base-Backbone interact. energy: 5.941 local terms energy: -611.468052 where: bonds (distance) C4'-P energy: -128.615 bonds (distance) P-C4' energy: -143.121 flat angles C4'-P-C4' energy: -143.430 flat angles P-C4'-P energy: -82.718 tors. eta vs tors. theta energy: -113.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1224.627788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.627788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.627788 (E_RNA) where: Base-Base interactions energy: -729.706 where: short stacking energy: -357.342 Base-Backbone interact. energy: -0.529 local terms energy: -494.393333 where: bonds (distance) C4'-P energy: -138.700 bonds (distance) P-C4' energy: -142.781 flat angles C4'-P-C4' energy: -103.690 flat angles P-C4'-P energy: -71.282 tors. eta vs tors. theta energy: -37.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3064.279651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.279651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.279651 (E_RNA) where: Base-Base interactions energy: -2152.688 where: short stacking energy: -930.227 Base-Backbone interact. energy: -2.508 local terms energy: -909.082755 where: bonds (distance) C4'-P energy: -166.565 bonds (distance) P-C4' energy: -163.252 flat angles C4'-P-C4' energy: -197.655 flat angles P-C4'-P energy: -118.042 tors. eta vs tors. theta energy: -263.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2999.796526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.796526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.796526 (E_RNA) where: Base-Base interactions energy: -2079.685 where: short stacking energy: -919.622 Base-Backbone interact. energy: -3.337 local terms energy: -916.774573 where: bonds (distance) C4'-P energy: -153.156 bonds (distance) P-C4' energy: -174.210 flat angles C4'-P-C4' energy: -187.831 flat angles P-C4'-P energy: -127.331 tors. eta vs tors. theta energy: -274.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2824.542953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.542953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.542953 (E_RNA) where: Base-Base interactions energy: -1964.621 where: short stacking energy: -829.347 Base-Backbone interact. energy: -4.469 local terms energy: -855.452183 where: bonds (distance) C4'-P energy: -146.517 bonds (distance) P-C4' energy: -163.495 flat angles C4'-P-C4' energy: -183.605 flat angles P-C4'-P energy: -131.911 tors. eta vs tors. theta energy: -229.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2757.687053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.687053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.687053 (E_RNA) where: Base-Base interactions energy: -1919.496 where: short stacking energy: -834.124 Base-Backbone interact. energy: -5.137 local terms energy: -833.054021 where: bonds (distance) C4'-P energy: -159.141 bonds (distance) P-C4' energy: -155.511 flat angles C4'-P-C4' energy: -164.628 flat angles P-C4'-P energy: -115.281 tors. eta vs tors. theta energy: -238.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2552.525562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.525562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.525562 (E_RNA) where: Base-Base interactions energy: -1764.210 where: short stacking energy: -767.633 Base-Backbone interact. energy: 1.154 local terms energy: -789.469446 where: bonds (distance) C4'-P energy: -150.048 bonds (distance) P-C4' energy: -144.567 flat angles C4'-P-C4' energy: -168.755 flat angles P-C4'-P energy: -110.768 tors. eta vs tors. theta energy: -215.332 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: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2312.986214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.986214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.986214 (E_RNA) where: Base-Base interactions energy: -1578.333 where: short stacking energy: -739.390 Base-Backbone interact. energy: -1.084 local terms energy: -733.568453 where: bonds (distance) C4'-P energy: -147.040 bonds (distance) P-C4' energy: -132.201 flat angles C4'-P-C4' energy: -170.483 flat angles P-C4'-P energy: -96.996 tors. eta vs tors. theta energy: -186.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2204.662729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.662729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.662729 (E_RNA) where: Base-Base interactions energy: -1516.938 where: short stacking energy: -652.268 Base-Backbone interact. energy: -1.971 local terms energy: -685.754382 where: bonds (distance) C4'-P energy: -124.680 bonds (distance) P-C4' energy: -133.590 flat angles C4'-P-C4' energy: -153.886 flat angles P-C4'-P energy: -100.500 tors. eta vs tors. theta energy: -173.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1850.751462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.751462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.751462 (E_RNA) where: Base-Base interactions energy: -1222.542 where: short stacking energy: -572.370 Base-Backbone interact. energy: 5.874 local terms energy: -634.083756 where: bonds (distance) C4'-P energy: -132.134 bonds (distance) P-C4' energy: -149.084 flat angles C4'-P-C4' energy: -151.394 flat angles P-C4'-P energy: -75.586 tors. eta vs tors. theta energy: -125.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1792.153044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.153044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.153044 (E_RNA) where: Base-Base interactions energy: -1204.582 where: short stacking energy: -487.688 Base-Backbone interact. energy: -3.397 local terms energy: -584.173765 where: bonds (distance) C4'-P energy: -145.280 bonds (distance) P-C4' energy: -106.204 flat angles C4'-P-C4' energy: -126.692 flat angles P-C4'-P energy: -97.073 tors. eta vs tors. theta energy: -108.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1167.341631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.341631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.341631 (E_RNA) where: Base-Base interactions energy: -682.448 where: short stacking energy: -325.844 Base-Backbone interact. energy: 1.432 local terms energy: -486.325314 where: bonds (distance) C4'-P energy: -126.239 bonds (distance) P-C4' energy: -123.424 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -75.491 tors. eta vs tors. theta energy: -35.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3127.894575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.894575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.894575 (E_RNA) where: Base-Base interactions energy: -2210.717 where: short stacking energy: -914.482 Base-Backbone interact. energy: 1.246 local terms energy: -918.423036 where: bonds (distance) C4'-P energy: -174.708 bonds (distance) P-C4' energy: -171.760 flat angles C4'-P-C4' energy: -189.327 flat angles P-C4'-P energy: -122.642 tors. eta vs tors. theta energy: -259.986 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: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2944.779887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.779887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.779887 (E_RNA) where: Base-Base interactions energy: -2055.219 where: short stacking energy: -884.400 Base-Backbone interact. energy: -4.023 local terms energy: -885.538122 where: bonds (distance) C4'-P energy: -144.360 bonds (distance) P-C4' energy: -155.634 flat angles C4'-P-C4' energy: -181.374 flat angles P-C4'-P energy: -142.788 tors. eta vs tors. theta energy: -261.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2789.359498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.359498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.359498 (E_RNA) where: Base-Base interactions energy: -1970.979 where: short stacking energy: -821.545 Base-Backbone interact. energy: -5.112 local terms energy: -813.268886 where: bonds (distance) C4'-P energy: -149.472 bonds (distance) P-C4' energy: -158.382 flat angles C4'-P-C4' energy: -168.683 flat angles P-C4'-P energy: -115.825 tors. eta vs tors. theta energy: -220.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2725.905330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.905330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.905330 (E_RNA) where: Base-Base interactions energy: -1874.059 where: short stacking energy: -799.660 Base-Backbone interact. energy: -4.026 local terms energy: -847.820021 where: bonds (distance) C4'-P energy: -165.245 bonds (distance) P-C4' energy: -167.502 flat angles C4'-P-C4' energy: -165.800 flat angles P-C4'-P energy: -122.396 tors. eta vs tors. theta energy: -226.876 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: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2551.000003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.000003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.000003 (E_RNA) where: Base-Base interactions energy: -1778.189 where: short stacking energy: -762.975 Base-Backbone interact. energy: 2.240 local terms energy: -775.050586 where: bonds (distance) C4'-P energy: -128.439 bonds (distance) P-C4' energy: -177.652 flat angles C4'-P-C4' energy: -155.120 flat angles P-C4'-P energy: -93.176 tors. eta vs tors. theta energy: -220.664 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: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2265.453431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.453431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.453431 (E_RNA) where: Base-Base interactions energy: -1536.541 where: short stacking energy: -705.920 Base-Backbone interact. energy: 4.857 local terms energy: -733.770354 where: bonds (distance) C4'-P energy: -140.982 bonds (distance) P-C4' energy: -151.221 flat angles C4'-P-C4' energy: -150.910 flat angles P-C4'-P energy: -98.849 tors. eta vs tors. theta energy: -191.808 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: 404 Temperature: 1.200000 Total energy: -2156.417174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.417174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.417174 (E_RNA) where: Base-Base interactions energy: -1459.570 where: short stacking energy: -658.578 Base-Backbone interact. energy: -3.961 local terms energy: -692.886954 where: bonds (distance) C4'-P energy: -124.347 bonds (distance) P-C4' energy: -137.436 flat angles C4'-P-C4' energy: -167.670 flat angles P-C4'-P energy: -99.301 tors. eta vs tors. theta energy: -164.133 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: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1810.485240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.485240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.485240 (E_RNA) where: Base-Base interactions energy: -1188.188 where: short stacking energy: -534.719 Base-Backbone interact. energy: -1.426 local terms energy: -620.870696 where: bonds (distance) C4'-P energy: -135.384 bonds (distance) P-C4' energy: -149.678 flat angles C4'-P-C4' energy: -141.845 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -106.062 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: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1789.877612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.877612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.877612 (E_RNA) where: Base-Base interactions energy: -1197.532 where: short stacking energy: -513.860 Base-Backbone interact. energy: -1.782 local terms energy: -590.563590 where: bonds (distance) C4'-P energy: -122.144 bonds (distance) P-C4' energy: -122.627 flat angles C4'-P-C4' energy: -150.661 flat angles P-C4'-P energy: -89.694 tors. eta vs tors. theta energy: -105.437 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: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1294.789501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.789501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.789501 (E_RNA) where: Base-Base interactions energy: -765.066 where: short stacking energy: -347.860 Base-Backbone interact. energy: -1.876 local terms energy: -527.847576 where: bonds (distance) C4'-P energy: -133.455 bonds (distance) P-C4' energy: -137.062 flat angles C4'-P-C4' energy: -160.283 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -26.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3066.081991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.081991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.081991 (E_RNA) where: Base-Base interactions energy: -2144.884 where: short stacking energy: -915.723 Base-Backbone interact. energy: -2.458 local terms energy: -918.740125 where: bonds (distance) C4'-P energy: -168.911 bonds (distance) P-C4' energy: -165.883 flat angles C4'-P-C4' energy: -199.333 flat angles P-C4'-P energy: -128.671 tors. eta vs tors. theta energy: -255.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2965.079305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.079305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.079305 (E_RNA) where: Base-Base interactions energy: -2094.967 where: short stacking energy: -887.765 Base-Backbone interact. energy: -2.666 local terms energy: -867.445822 where: bonds (distance) C4'-P energy: -149.511 bonds (distance) P-C4' energy: -150.005 flat angles C4'-P-C4' energy: -189.225 flat angles P-C4'-P energy: -116.245 tors. eta vs tors. theta energy: -262.460 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: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2796.828107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.828107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.828107 (E_RNA) where: Base-Base interactions energy: -1933.957 where: short stacking energy: -813.260 Base-Backbone interact. energy: -1.104 local terms energy: -861.767005 where: bonds (distance) C4'-P energy: -153.714 bonds (distance) P-C4' energy: -165.408 flat angles C4'-P-C4' energy: -187.738 flat angles P-C4'-P energy: -126.574 tors. eta vs tors. theta energy: -228.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2806.535909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.535909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.535909 (E_RNA) where: Base-Base interactions energy: -1973.496 where: short stacking energy: -836.638 Base-Backbone interact. energy: -5.803 local terms energy: -827.237572 where: bonds (distance) C4'-P energy: -149.887 bonds (distance) P-C4' energy: -154.147 flat angles C4'-P-C4' energy: -190.409 flat angles P-C4'-P energy: -102.715 tors. eta vs tors. theta energy: -230.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2530.815810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.815810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.815810 (E_RNA) where: Base-Base interactions energy: -1741.141 where: short stacking energy: -741.753 Base-Backbone interact. energy: -2.638 local terms energy: -787.037225 where: bonds (distance) C4'-P energy: -138.610 bonds (distance) P-C4' energy: -147.731 flat angles C4'-P-C4' energy: -171.077 flat angles P-C4'-P energy: -108.433 tors. eta vs tors. theta energy: -221.186 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: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2308.445071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.445071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.445071 (E_RNA) where: Base-Base interactions energy: -1563.790 where: short stacking energy: -694.672 Base-Backbone interact. energy: -2.356 local terms energy: -742.299150 where: bonds (distance) C4'-P energy: -139.470 bonds (distance) P-C4' energy: -150.912 flat angles C4'-P-C4' energy: -160.339 flat angles P-C4'-P energy: -107.867 tors. eta vs tors. theta energy: -183.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2186.002923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.002923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.002923 (E_RNA) where: Base-Base interactions energy: -1484.844 where: short stacking energy: -630.949 Base-Backbone interact. energy: -2.904 local terms energy: -698.254271 where: bonds (distance) C4'-P energy: -147.482 bonds (distance) P-C4' energy: -134.273 flat angles C4'-P-C4' energy: -151.091 flat angles P-C4'-P energy: -112.202 tors. eta vs tors. theta energy: -153.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1800.298458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.298458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.298458 (E_RNA) where: Base-Base interactions energy: -1175.959 where: short stacking energy: -520.533 Base-Backbone interact. energy: -2.447 local terms energy: -621.892249 where: bonds (distance) C4'-P energy: -145.546 bonds (distance) P-C4' energy: -146.130 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -100.349 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: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1726.585335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.585335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.585335 (E_RNA) where: Base-Base interactions energy: -1135.062 where: short stacking energy: -508.607 Base-Backbone interact. energy: -2.991 local terms energy: -588.532928 where: bonds (distance) C4'-P energy: -140.637 bonds (distance) P-C4' energy: -147.630 flat angles C4'-P-C4' energy: -123.462 flat angles P-C4'-P energy: -68.074 tors. eta vs tors. theta energy: -108.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1240.124458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.124458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.124458 (E_RNA) where: Base-Base interactions energy: -712.125 where: short stacking energy: -336.430 Base-Backbone interact. energy: -2.526 local terms energy: -525.473192 where: bonds (distance) C4'-P energy: -132.267 bonds (distance) P-C4' energy: -125.516 flat angles C4'-P-C4' energy: -146.546 flat angles P-C4'-P energy: -77.704 tors. eta vs tors. theta energy: -43.440 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: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3059.291687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.291687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.291687 (E_RNA) where: Base-Base interactions energy: -2101.716 where: short stacking energy: -913.955 Base-Backbone interact. energy: -2.252 local terms energy: -955.323605 where: bonds (distance) C4'-P energy: -183.558 bonds (distance) P-C4' energy: -173.000 flat angles C4'-P-C4' energy: -200.707 flat angles P-C4'-P energy: -129.244 tors. eta vs tors. theta energy: -268.814 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: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3011.830707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.830707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.830707 (E_RNA) where: Base-Base interactions energy: -2111.676 where: short stacking energy: -900.223 Base-Backbone interact. energy: -4.849 local terms energy: -895.305546 where: bonds (distance) C4'-P energy: -162.487 bonds (distance) P-C4' energy: -153.119 flat angles C4'-P-C4' energy: -201.261 flat angles P-C4'-P energy: -133.483 tors. eta vs tors. theta energy: -244.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2807.732096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.732096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.732096 (E_RNA) where: Base-Base interactions energy: -1950.998 where: short stacking energy: -798.210 Base-Backbone interact. energy: -5.159 local terms energy: -851.575164 where: bonds (distance) C4'-P energy: -142.315 bonds (distance) P-C4' energy: -167.557 flat angles C4'-P-C4' energy: -191.951 flat angles P-C4'-P energy: -132.442 tors. eta vs tors. theta energy: -217.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2750.441690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.441690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.441690 (E_RNA) where: Base-Base interactions energy: -1906.647 where: short stacking energy: -847.464 Base-Backbone interact. energy: -1.632 local terms energy: -842.162429 where: bonds (distance) C4'-P energy: -160.591 bonds (distance) P-C4' energy: -148.302 flat angles C4'-P-C4' energy: -193.579 flat angles P-C4'-P energy: -102.359 tors. eta vs tors. theta energy: -237.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2560.455476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.455476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.455476 (E_RNA) where: Base-Base interactions energy: -1762.956 where: short stacking energy: -782.762 Base-Backbone interact. energy: -0.985 local terms energy: -796.514534 where: bonds (distance) C4'-P energy: -165.533 bonds (distance) P-C4' energy: -140.511 flat angles C4'-P-C4' energy: -169.192 flat angles P-C4'-P energy: -111.745 tors. eta vs tors. theta energy: -209.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2352.489178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.489178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.489178 (E_RNA) where: Base-Base interactions energy: -1600.834 where: short stacking energy: -740.753 Base-Backbone interact. energy: -1.319 local terms energy: -750.336810 where: bonds (distance) C4'-P energy: -146.276 bonds (distance) P-C4' energy: -155.303 flat angles C4'-P-C4' energy: -165.961 flat angles P-C4'-P energy: -104.846 tors. eta vs tors. theta energy: -177.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2153.034679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.034679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.034679 (E_RNA) where: Base-Base interactions energy: -1484.905 where: short stacking energy: -669.010 Base-Backbone interact. energy: -1.617 local terms energy: -666.512471 where: bonds (distance) C4'-P energy: -137.962 bonds (distance) P-C4' energy: -117.874 flat angles C4'-P-C4' energy: -151.584 flat angles P-C4'-P energy: -98.830 tors. eta vs tors. theta energy: -160.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1837.563387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.563387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.563387 (E_RNA) where: Base-Base interactions energy: -1204.424 where: short stacking energy: -536.127 Base-Backbone interact. energy: 1.266 local terms energy: -634.405253 where: bonds (distance) C4'-P energy: -117.995 bonds (distance) P-C4' energy: -145.807 flat angles C4'-P-C4' energy: -161.692 flat angles P-C4'-P energy: -95.198 tors. eta vs tors. theta energy: -113.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1668.175617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.175617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.175617 (E_RNA) where: Base-Base interactions energy: -1090.295 where: short stacking energy: -472.259 Base-Backbone interact. energy: -2.162 local terms energy: -575.718216 where: bonds (distance) C4'-P energy: -127.081 bonds (distance) P-C4' energy: -128.162 flat angles C4'-P-C4' energy: -140.660 flat angles P-C4'-P energy: -91.406 tors. eta vs tors. theta energy: -88.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1235.553860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.553860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.553860 (E_RNA) where: Base-Base interactions energy: -766.990 where: short stacking energy: -380.845 Base-Backbone interact. energy: 1.040 local terms energy: -469.603868 where: bonds (distance) C4'-P energy: -112.077 bonds (distance) P-C4' energy: -123.618 flat angles C4'-P-C4' energy: -120.574 flat angles P-C4'-P energy: -56.605 tors. eta vs tors. theta energy: -56.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3097.997270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.997270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.997270 (E_RNA) where: Base-Base interactions energy: -2154.622 where: short stacking energy: -936.051 Base-Backbone interact. energy: -0.784 local terms energy: -942.591220 where: bonds (distance) C4'-P energy: -172.587 bonds (distance) P-C4' energy: -175.521 flat angles C4'-P-C4' energy: -196.243 flat angles P-C4'-P energy: -125.797 tors. eta vs tors. theta energy: -272.443 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: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3003.299014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.299014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.299014 (E_RNA) where: Base-Base interactions energy: -2108.576 where: short stacking energy: -885.005 Base-Backbone interact. energy: -7.771 local terms energy: -886.951258 where: bonds (distance) C4'-P energy: -153.692 bonds (distance) P-C4' energy: -165.975 flat angles C4'-P-C4' energy: -197.226 flat angles P-C4'-P energy: -116.153 tors. eta vs tors. theta energy: -253.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2837.513587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.513587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.513587 (E_RNA) where: Base-Base interactions energy: -1982.038 where: short stacking energy: -817.847 Base-Backbone interact. energy: -4.504 local terms energy: -850.971549 where: bonds (distance) C4'-P energy: -152.306 bonds (distance) P-C4' energy: -170.017 flat angles C4'-P-C4' energy: -163.807 flat angles P-C4'-P energy: -128.803 tors. eta vs tors. theta energy: -236.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2730.653391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.653391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.653391 (E_RNA) where: Base-Base interactions energy: -1892.650 where: short stacking energy: -833.954 Base-Backbone interact. energy: -1.172 local terms energy: -836.831432 where: bonds (distance) C4'-P energy: -149.191 bonds (distance) P-C4' energy: -170.957 flat angles C4'-P-C4' energy: -183.542 flat angles P-C4'-P energy: -105.096 tors. eta vs tors. theta energy: -228.044 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: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2566.289107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.289107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.289107 (E_RNA) where: Base-Base interactions energy: -1773.861 where: short stacking energy: -766.796 Base-Backbone interact. energy: -0.662 local terms energy: -791.765863 where: bonds (distance) C4'-P energy: -145.847 bonds (distance) P-C4' energy: -164.936 flat angles C4'-P-C4' energy: -170.341 flat angles P-C4'-P energy: -104.842 tors. eta vs tors. theta energy: -205.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2340.206444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.206444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.206444 (E_RNA) where: Base-Base interactions energy: -1579.959 where: short stacking energy: -704.293 Base-Backbone interact. energy: -0.600 local terms energy: -759.647216 where: bonds (distance) C4'-P energy: -139.429 bonds (distance) P-C4' energy: -170.254 flat angles C4'-P-C4' energy: -171.437 flat angles P-C4'-P energy: -107.021 tors. eta vs tors. theta energy: -171.506 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: 407 Temperature: 1.200000 Total energy: -2095.055576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.055576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.055576 (E_RNA) where: Base-Base interactions energy: -1401.985 where: short stacking energy: -588.312 Base-Backbone interact. energy: -1.704 local terms energy: -691.366583 where: bonds (distance) C4'-P energy: -149.232 bonds (distance) P-C4' energy: -147.080 flat angles C4'-P-C4' energy: -156.908 flat angles P-C4'-P energy: -93.416 tors. eta vs tors. theta energy: -144.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1850.504400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.504400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.504400 (E_RNA) where: Base-Base interactions energy: -1229.496 where: short stacking energy: -524.101 Base-Backbone interact. energy: -3.668 local terms energy: -617.339479 where: bonds (distance) C4'-P energy: -124.992 bonds (distance) P-C4' energy: -145.689 flat angles C4'-P-C4' energy: -143.884 flat angles P-C4'-P energy: -96.808 tors. eta vs tors. theta energy: -105.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1656.649442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.649442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.649442 (E_RNA) where: Base-Base interactions energy: -1101.835 where: short stacking energy: -491.152 Base-Backbone interact. energy: -4.134 local terms energy: -550.680159 where: bonds (distance) C4'-P energy: -124.701 bonds (distance) P-C4' energy: -114.283 flat angles C4'-P-C4' energy: -129.081 flat angles P-C4'-P energy: -87.427 tors. eta vs tors. theta energy: -95.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1238.308527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.308527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.308527 (E_RNA) where: Base-Base interactions energy: -758.582 where: short stacking energy: -362.921 Base-Backbone interact. energy: 0.617 local terms energy: -480.343603 where: bonds (distance) C4'-P energy: -105.755 bonds (distance) P-C4' energy: -148.948 flat angles C4'-P-C4' energy: -103.933 flat angles P-C4'-P energy: -78.185 tors. eta vs tors. theta energy: -43.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3113.763729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.763729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.763729 (E_RNA) where: Base-Base interactions energy: -2196.444 where: short stacking energy: -982.698 Base-Backbone interact. energy: -1.247 local terms energy: -916.073520 where: bonds (distance) C4'-P energy: -147.445 bonds (distance) P-C4' energy: -168.747 flat angles C4'-P-C4' energy: -192.577 flat angles P-C4'-P energy: -130.031 tors. eta vs tors. theta energy: -277.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2991.442043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.442043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.442043 (E_RNA) where: Base-Base interactions energy: -2130.614 where: short stacking energy: -903.941 Base-Backbone interact. energy: -2.511 local terms energy: -858.317864 where: bonds (distance) C4'-P energy: -152.639 bonds (distance) P-C4' energy: -157.606 flat angles C4'-P-C4' energy: -196.114 flat angles P-C4'-P energy: -113.663 tors. eta vs tors. theta energy: -238.296 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: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2853.279457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.279457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.279457 (E_RNA) where: Base-Base interactions energy: -2022.206 where: short stacking energy: -849.611 Base-Backbone interact. energy: -3.735 local terms energy: -827.338922 where: bonds (distance) C4'-P energy: -147.666 bonds (distance) P-C4' energy: -161.839 flat angles C4'-P-C4' energy: -178.263 flat angles P-C4'-P energy: -102.852 tors. eta vs tors. theta energy: -236.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2759.120394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.120394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.120394 (E_RNA) where: Base-Base interactions energy: -1958.320 where: short stacking energy: -804.064 Base-Backbone interact. energy: -2.345 local terms energy: -798.455192 where: bonds (distance) C4'-P energy: -139.710 bonds (distance) P-C4' energy: -148.502 flat angles C4'-P-C4' energy: -180.072 flat angles P-C4'-P energy: -102.917 tors. eta vs tors. theta energy: -227.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2573.925371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.925371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.925371 (E_RNA) where: Base-Base interactions energy: -1776.134 where: short stacking energy: -741.655 Base-Backbone interact. energy: -1.911 local terms energy: -795.880157 where: bonds (distance) C4'-P energy: -138.937 bonds (distance) P-C4' energy: -161.855 flat angles C4'-P-C4' energy: -169.019 flat angles P-C4'-P energy: -103.521 tors. eta vs tors. theta energy: -222.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2374.547553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.547553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.547553 (E_RNA) where: Base-Base interactions energy: -1620.868 where: short stacking energy: -721.594 Base-Backbone interact. energy: -3.835 local terms energy: -749.845372 where: bonds (distance) C4'-P energy: -144.028 bonds (distance) P-C4' energy: -141.681 flat angles C4'-P-C4' energy: -156.377 flat angles P-C4'-P energy: -107.157 tors. eta vs tors. theta energy: -200.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2073.102009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.102009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.102009 (E_RNA) where: Base-Base interactions energy: -1397.960 where: short stacking energy: -598.187 Base-Backbone interact. energy: 4.697 local terms energy: -679.839339 where: bonds (distance) C4'-P energy: -138.154 bonds (distance) P-C4' energy: -153.154 flat angles C4'-P-C4' energy: -161.296 flat angles P-C4'-P energy: -66.984 tors. eta vs tors. theta energy: -160.251 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: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1826.926442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.926442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.926442 (E_RNA) where: Base-Base interactions energy: -1205.470 where: short stacking energy: -499.720 Base-Backbone interact. energy: 0.000 local terms energy: -621.457256 where: bonds (distance) C4'-P energy: -138.062 bonds (distance) P-C4' energy: -170.529 flat angles C4'-P-C4' energy: -135.982 flat angles P-C4'-P energy: -85.234 tors. eta vs tors. theta energy: -91.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1644.502357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.502357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.502357 (E_RNA) where: Base-Base interactions energy: -1073.654 where: short stacking energy: -456.030 Base-Backbone interact. energy: -2.584 local terms energy: -568.264565 where: bonds (distance) C4'-P energy: -125.694 bonds (distance) P-C4' energy: -135.994 flat angles C4'-P-C4' energy: -152.913 flat angles P-C4'-P energy: -82.047 tors. eta vs tors. theta energy: -71.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1221.721471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.721471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.721471 (E_RNA) where: Base-Base interactions energy: -742.180 where: short stacking energy: -334.840 Base-Backbone interact. energy: -1.579 local terms energy: -477.962266 where: bonds (distance) C4'-P energy: -123.449 bonds (distance) P-C4' energy: -126.033 flat angles C4'-P-C4' energy: -130.693 flat angles P-C4'-P energy: -66.019 tors. eta vs tors. theta energy: -31.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3084.236806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.236806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.236806 (E_RNA) where: Base-Base interactions energy: -2167.387 where: short stacking energy: -966.095 Base-Backbone interact. energy: 4.257 local terms energy: -921.106872 where: bonds (distance) C4'-P energy: -168.546 bonds (distance) P-C4' energy: -162.417 flat angles C4'-P-C4' energy: -194.734 flat angles P-C4'-P energy: -129.010 tors. eta vs tors. theta energy: -266.401 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: 409 Temperature: 0.950000 Total energy: -2941.523617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.523617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.523617 (E_RNA) where: Base-Base interactions energy: -2062.805 where: short stacking energy: -845.099 Base-Backbone interact. energy: -4.360 local terms energy: -874.358597 where: bonds (distance) C4'-P energy: -159.926 bonds (distance) P-C4' energy: -172.201 flat angles C4'-P-C4' energy: -186.756 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -239.518 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: 3, replica: 10 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2852.770075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.770075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.770075 (E_RNA) where: Base-Base interactions energy: -2015.351 where: short stacking energy: -875.257 Base-Backbone interact. energy: 0.187 local terms energy: -837.606822 where: bonds (distance) C4'-P energy: -145.043 bonds (distance) P-C4' energy: -148.978 flat angles C4'-P-C4' energy: -183.830 flat angles P-C4'-P energy: -113.555 tors. eta vs tors. theta energy: -246.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2764.438146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.438146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.438146 (E_RNA) where: Base-Base interactions energy: -1922.314 where: short stacking energy: -817.795 Base-Backbone interact. energy: -0.741 local terms energy: -841.383135 where: bonds (distance) C4'-P energy: -147.026 bonds (distance) P-C4' energy: -148.762 flat angles C4'-P-C4' energy: -178.000 flat angles P-C4'-P energy: -126.201 tors. eta vs tors. theta energy: -241.394 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: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2563.660577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.660577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.660577 (E_RNA) where: Base-Base interactions energy: -1782.373 where: short stacking energy: -773.532 Base-Backbone interact. energy: 4.656 local terms energy: -785.943620 where: bonds (distance) C4'-P energy: -152.069 bonds (distance) P-C4' energy: -147.293 flat angles C4'-P-C4' energy: -172.050 flat angles P-C4'-P energy: -97.838 tors. eta vs tors. theta energy: -216.694 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: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2353.363487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.363487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.363487 (E_RNA) where: Base-Base interactions energy: -1611.427 where: short stacking energy: -691.848 Base-Backbone interact. energy: -2.489 local terms energy: -739.446803 where: bonds (distance) C4'-P energy: -136.905 bonds (distance) P-C4' energy: -152.429 flat angles C4'-P-C4' energy: -149.867 flat angles P-C4'-P energy: -119.126 tors. eta vs tors. theta energy: -181.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2179.931623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.931623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.931623 (E_RNA) where: Base-Base interactions energy: -1493.802 where: short stacking energy: -622.893 Base-Backbone interact. energy: 3.896 local terms energy: -690.026157 where: bonds (distance) C4'-P energy: -117.300 bonds (distance) P-C4' energy: -147.403 flat angles C4'-P-C4' energy: -168.009 flat angles P-C4'-P energy: -108.751 tors. eta vs tors. theta energy: -148.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1874.580410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.580410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.580410 (E_RNA) where: Base-Base interactions energy: -1247.170 where: short stacking energy: -536.463 Base-Backbone interact. energy: -2.962 local terms energy: -624.448395 where: bonds (distance) C4'-P energy: -137.718 bonds (distance) P-C4' energy: -156.066 flat angles C4'-P-C4' energy: -136.002 flat angles P-C4'-P energy: -93.422 tors. eta vs tors. theta energy: -101.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1733.717342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.717342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.717342 (E_RNA) where: Base-Base interactions energy: -1135.531 where: short stacking energy: -481.903 Base-Backbone interact. energy: -3.186 local terms energy: -595.000919 where: bonds (distance) C4'-P energy: -157.582 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -140.614 flat angles P-C4'-P energy: -105.606 tors. eta vs tors. theta energy: -82.865 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: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1251.536852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.536852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.536852 (E_RNA) where: Base-Base interactions energy: -778.637 where: short stacking energy: -379.839 Base-Backbone interact. energy: 2.504 local terms energy: -475.403463 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -138.373 flat angles C4'-P-C4' energy: -120.097 flat angles P-C4'-P energy: -61.053 tors. eta vs tors. theta energy: -27.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3109.273941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.273941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.273941 (E_RNA) where: Base-Base interactions energy: -2162.945 where: short stacking energy: -914.709 Base-Backbone interact. energy: -4.245 local terms energy: -942.083125 where: bonds (distance) C4'-P energy: -182.501 bonds (distance) P-C4' energy: -158.585 flat angles C4'-P-C4' energy: -201.324 flat angles P-C4'-P energy: -131.771 tors. eta vs tors. theta energy: -267.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3016.459252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.459252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.459252 (E_RNA) where: Base-Base interactions energy: -2118.787 where: short stacking energy: -888.866 Base-Backbone interact. energy: -6.318 local terms energy: -891.354558 where: bonds (distance) C4'-P energy: -149.579 bonds (distance) P-C4' energy: -157.783 flat angles C4'-P-C4' energy: -193.431 flat angles P-C4'-P energy: -138.478 tors. eta vs tors. theta energy: -252.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2851.830676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.830676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.830676 (E_RNA) where: Base-Base interactions energy: -1973.169 where: short stacking energy: -824.987 Base-Backbone interact. energy: -2.998 local terms energy: -875.663551 where: bonds (distance) C4'-P energy: -165.356 bonds (distance) P-C4' energy: -173.110 flat angles C4'-P-C4' energy: -182.962 flat angles P-C4'-P energy: -113.856 tors. eta vs tors. theta energy: -240.378 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: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2734.605613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.605613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.605613 (E_RNA) where: Base-Base interactions energy: -1905.473 where: short stacking energy: -778.555 Base-Backbone interact. energy: -2.018 local terms energy: -827.114983 where: bonds (distance) C4'-P energy: -160.603 bonds (distance) P-C4' energy: -163.845 flat angles C4'-P-C4' energy: -176.548 flat angles P-C4'-P energy: -125.615 tors. eta vs tors. theta energy: -200.505 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: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2605.608932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.608932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.608932 (E_RNA) where: Base-Base interactions energy: -1784.876 where: short stacking energy: -796.689 Base-Backbone interact. energy: -3.350 local terms energy: -817.383228 where: bonds (distance) C4'-P energy: -146.988 bonds (distance) P-C4' energy: -156.208 flat angles C4'-P-C4' energy: -175.036 flat angles P-C4'-P energy: -110.844 tors. eta vs tors. theta energy: -228.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2319.114562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.114562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.114562 (E_RNA) where: Base-Base interactions energy: -1582.917 where: short stacking energy: -697.878 Base-Backbone interact. energy: -4.394 local terms energy: -731.803057 where: bonds (distance) C4'-P energy: -128.679 bonds (distance) P-C4' energy: -141.732 flat angles C4'-P-C4' energy: -167.237 flat angles P-C4'-P energy: -99.799 tors. eta vs tors. theta energy: -194.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2176.246990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.246990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.246990 (E_RNA) where: Base-Base interactions energy: -1492.710 where: short stacking energy: -636.531 Base-Backbone interact. energy: -0.220 local terms energy: -683.317042 where: bonds (distance) C4'-P energy: -132.590 bonds (distance) P-C4' energy: -152.374 flat angles C4'-P-C4' energy: -155.304 flat angles P-C4'-P energy: -100.732 tors. eta vs tors. theta energy: -142.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1959.869312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.869312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.869312 (E_RNA) where: Base-Base interactions energy: -1348.261 where: short stacking energy: -572.310 Base-Backbone interact. energy: -1.696 local terms energy: -609.911878 where: bonds (distance) C4'-P energy: -125.000 bonds (distance) P-C4' energy: -148.849 flat angles C4'-P-C4' energy: -136.072 flat angles P-C4'-P energy: -78.527 tors. eta vs tors. theta energy: -121.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1721.481756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.481756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.481756 (E_RNA) where: Base-Base interactions energy: -1121.176 where: short stacking energy: -523.967 Base-Backbone interact. energy: 6.486 local terms energy: -606.791798 where: bonds (distance) C4'-P energy: -130.576 bonds (distance) P-C4' energy: -152.292 flat angles C4'-P-C4' energy: -128.142 flat angles P-C4'-P energy: -92.391 tors. eta vs tors. theta energy: -103.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1229.334756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.334756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.334756 (E_RNA) where: Base-Base interactions energy: -742.673 where: short stacking energy: -362.416 Base-Backbone interact. energy: -2.094 local terms energy: -484.567507 where: bonds (distance) C4'-P energy: -116.592 bonds (distance) P-C4' energy: -128.275 flat angles C4'-P-C4' energy: -114.579 flat angles P-C4'-P energy: -86.865 tors. eta vs tors. theta energy: -38.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3135.787504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.787504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.787504 (E_RNA) where: Base-Base interactions energy: -2196.857 where: short stacking energy: -949.980 Base-Backbone interact. energy: -2.254 local terms energy: -936.676450 where: bonds (distance) C4'-P energy: -171.102 bonds (distance) P-C4' energy: -179.217 flat angles C4'-P-C4' energy: -189.582 flat angles P-C4'-P energy: -123.115 tors. eta vs tors. theta energy: -273.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2971.846197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.846197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.846197 (E_RNA) where: Base-Base interactions energy: -2072.083 where: short stacking energy: -864.480 Base-Backbone interact. energy: -2.717 local terms energy: -897.046287 where: bonds (distance) C4'-P energy: -170.528 bonds (distance) P-C4' energy: -175.648 flat angles C4'-P-C4' energy: -199.948 flat angles P-C4'-P energy: -114.344 tors. eta vs tors. theta energy: -236.579 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: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2876.727974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.727974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.727974 (E_RNA) where: Base-Base interactions energy: -1990.499 where: short stacking energy: -857.537 Base-Backbone interact. energy: 0.774 local terms energy: -887.003246 where: bonds (distance) C4'-P energy: -161.798 bonds (distance) P-C4' energy: -159.859 flat angles C4'-P-C4' energy: -192.192 flat angles P-C4'-P energy: -123.036 tors. eta vs tors. theta energy: -250.118 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: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2745.863313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.863313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.863313 (E_RNA) where: Base-Base interactions energy: -1903.302 where: short stacking energy: -813.416 Base-Backbone interact. energy: -1.869 local terms energy: -840.692603 where: bonds (distance) C4'-P energy: -155.319 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -167.909 flat angles P-C4'-P energy: -124.673 tors. eta vs tors. theta energy: -229.154 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: 5, replica: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2562.958800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.958800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.958800 (E_RNA) where: Base-Base interactions energy: -1762.549 where: short stacking energy: -770.079 Base-Backbone interact. energy: -3.219 local terms energy: -797.191046 where: bonds (distance) C4'-P energy: -130.030 bonds (distance) P-C4' energy: -158.115 flat angles C4'-P-C4' energy: -185.575 flat angles P-C4'-P energy: -114.027 tors. eta vs tors. theta energy: -209.445 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: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2373.718553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.718553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.718553 (E_RNA) where: Base-Base interactions energy: -1643.411 where: short stacking energy: -731.118 Base-Backbone interact. energy: -1.139 local terms energy: -729.167798 where: bonds (distance) C4'-P energy: -132.396 bonds (distance) P-C4' energy: -142.852 flat angles C4'-P-C4' energy: -165.700 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: -205.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2298.493994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.493994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.493994 (E_RNA) where: Base-Base interactions energy: -1596.642 where: short stacking energy: -689.439 Base-Backbone interact. energy: -0.418 local terms energy: -701.434134 where: bonds (distance) C4'-P energy: -134.426 bonds (distance) P-C4' energy: -153.865 flat angles C4'-P-C4' energy: -142.836 flat angles P-C4'-P energy: -100.907 tors. eta vs tors. theta energy: -169.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1920.936457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.936457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.936457 (E_RNA) where: Base-Base interactions energy: -1290.135 where: short stacking energy: -540.265 Base-Backbone interact. energy: -1.527 local terms energy: -629.275200 where: bonds (distance) C4'-P energy: -127.010 bonds (distance) P-C4' energy: -123.211 flat angles C4'-P-C4' energy: -162.640 flat angles P-C4'-P energy: -94.631 tors. eta vs tors. theta energy: -121.783 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: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1695.018226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.018226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.018226 (E_RNA) where: Base-Base interactions energy: -1106.071 where: short stacking energy: -495.030 Base-Backbone interact. energy: 0.090 local terms energy: -589.037242 where: bonds (distance) C4'-P energy: -144.126 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -139.605 flat angles P-C4'-P energy: -75.154 tors. eta vs tors. theta energy: -93.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1199.388837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.388837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.388837 (E_RNA) where: Base-Base interactions energy: -719.587 where: short stacking energy: -339.503 Base-Backbone interact. energy: -1.761 local terms energy: -478.040462 where: bonds (distance) C4'-P energy: -147.060 bonds (distance) P-C4' energy: -125.248 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -9.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3108.534918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.534918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.534918 (E_RNA) where: Base-Base interactions energy: -2170.071 where: short stacking energy: -950.483 Base-Backbone interact. energy: -5.314 local terms energy: -933.149980 where: bonds (distance) C4'-P energy: -172.958 bonds (distance) P-C4' energy: -163.247 flat angles C4'-P-C4' energy: -207.950 flat angles P-C4'-P energy: -115.077 tors. eta vs tors. theta energy: -273.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2974.809014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.809014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.809014 (E_RNA) where: Base-Base interactions energy: -2089.914 where: short stacking energy: -858.625 Base-Backbone interact. energy: -1.871 local terms energy: -883.024435 where: bonds (distance) C4'-P energy: -160.486 bonds (distance) P-C4' energy: -155.229 flat angles C4'-P-C4' energy: -195.209 flat angles P-C4'-P energy: -122.831 tors. eta vs tors. theta energy: -249.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2894.658182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.658182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.658182 (E_RNA) where: Base-Base interactions energy: -2025.850 where: short stacking energy: -853.580 Base-Backbone interact. energy: -1.203 local terms energy: -867.604710 where: bonds (distance) C4'-P energy: -156.074 bonds (distance) P-C4' energy: -163.160 flat angles C4'-P-C4' energy: -182.663 flat angles P-C4'-P energy: -117.882 tors. eta vs tors. theta energy: -247.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2715.551725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.551725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.551725 (E_RNA) where: Base-Base interactions energy: -1911.282 where: short stacking energy: -777.061 Base-Backbone interact. energy: -3.658 local terms energy: -800.611437 where: bonds (distance) C4'-P energy: -155.393 bonds (distance) P-C4' energy: -154.636 flat angles C4'-P-C4' energy: -169.686 flat angles P-C4'-P energy: -110.881 tors. eta vs tors. theta energy: -210.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2522.222301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.222301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.222301 (E_RNA) where: Base-Base interactions energy: -1724.256 where: short stacking energy: -741.510 Base-Backbone interact. energy: -3.617 local terms energy: -794.349324 where: bonds (distance) C4'-P energy: -138.176 bonds (distance) P-C4' energy: -166.753 flat angles C4'-P-C4' energy: -168.990 flat angles P-C4'-P energy: -110.651 tors. eta vs tors. theta energy: -209.778 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: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2394.739197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.739197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.739197 (E_RNA) where: Base-Base interactions energy: -1652.634 where: short stacking energy: -699.799 Base-Backbone interact. energy: -1.662 local terms energy: -740.442385 where: bonds (distance) C4'-P energy: -155.761 bonds (distance) P-C4' energy: -148.516 flat angles C4'-P-C4' energy: -149.754 flat angles P-C4'-P energy: -99.776 tors. eta vs tors. theta energy: -186.635 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: 412 Temperature: 1.200000 Total energy: -2268.379932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.379932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.379932 (E_RNA) where: Base-Base interactions energy: -1571.673 where: short stacking energy: -642.275 Base-Backbone interact. energy: -1.715 local terms energy: -694.992607 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -150.201 flat angles C4'-P-C4' energy: -146.807 flat angles P-C4'-P energy: -85.882 tors. eta vs tors. theta energy: -165.381 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: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1964.211398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.211398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.211398 (E_RNA) where: Base-Base interactions energy: -1327.083 where: short stacking energy: -570.750 Base-Backbone interact. energy: -2.771 local terms energy: -634.357220 where: bonds (distance) C4'-P energy: -121.109 bonds (distance) P-C4' energy: -144.366 flat angles C4'-P-C4' energy: -158.692 flat angles P-C4'-P energy: -91.188 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: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1666.002356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.002356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.002356 (E_RNA) where: Base-Base interactions energy: -1134.548 where: short stacking energy: -486.449 Base-Backbone interact. energy: -1.905 local terms energy: -529.549039 where: bonds (distance) C4'-P energy: -102.247 bonds (distance) P-C4' energy: -138.947 flat angles C4'-P-C4' energy: -134.938 flat angles P-C4'-P energy: -63.627 tors. eta vs tors. theta energy: -89.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1204.216744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.216744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.216744 (E_RNA) where: Base-Base interactions energy: -707.502 where: short stacking energy: -346.610 Base-Backbone interact. energy: -2.980 local terms energy: -493.735046 where: bonds (distance) C4'-P energy: -131.786 bonds (distance) P-C4' energy: -136.978 flat angles C4'-P-C4' energy: -110.529 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: -40.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3114.191806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.191806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.191806 (E_RNA) where: Base-Base interactions energy: -2140.978 where: short stacking energy: -929.508 Base-Backbone interact. energy: -3.627 local terms energy: -969.586494 where: bonds (distance) C4'-P energy: -177.872 bonds (distance) P-C4' energy: -169.427 flat angles C4'-P-C4' energy: -201.380 flat angles P-C4'-P energy: -144.490 tors. eta vs tors. theta energy: -276.417 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: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2976.676896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.676896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.676896 (E_RNA) where: Base-Base interactions energy: -2073.251 where: short stacking energy: -871.158 Base-Backbone interact. energy: -3.764 local terms energy: -899.661928 where: bonds (distance) C4'-P energy: -159.569 bonds (distance) P-C4' energy: -169.137 flat angles C4'-P-C4' energy: -189.742 flat angles P-C4'-P energy: -136.104 tors. eta vs tors. theta energy: -245.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2886.588853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.588853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.588853 (E_RNA) where: Base-Base interactions energy: -2016.540 where: short stacking energy: -853.723 Base-Backbone interact. energy: -3.558 local terms energy: -866.491194 where: bonds (distance) C4'-P energy: -160.707 bonds (distance) P-C4' energy: -162.839 flat angles C4'-P-C4' energy: -173.250 flat angles P-C4'-P energy: -127.204 tors. eta vs tors. theta energy: -242.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2704.540928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.540928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.540928 (E_RNA) where: Base-Base interactions energy: -1871.330 where: short stacking energy: -784.741 Base-Backbone interact. energy: -4.469 local terms energy: -828.742546 where: bonds (distance) C4'-P energy: -157.870 bonds (distance) P-C4' energy: -157.715 flat angles C4'-P-C4' energy: -179.645 flat angles P-C4'-P energy: -120.017 tors. eta vs tors. theta energy: -213.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2605.671689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.671689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.671689 (E_RNA) where: Base-Base interactions energy: -1822.057 where: short stacking energy: -760.222 Base-Backbone interact. energy: -4.551 local terms energy: -779.063729 where: bonds (distance) C4'-P energy: -171.652 bonds (distance) P-C4' energy: -119.581 flat angles C4'-P-C4' energy: -174.739 flat angles P-C4'-P energy: -103.105 tors. eta vs tors. theta energy: -209.987 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: 413 Temperature: 1.150000 Total energy: -2365.410401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.410401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.410401 (E_RNA) where: Base-Base interactions energy: -1659.371 where: short stacking energy: -688.055 Base-Backbone interact. energy: -0.263 local terms energy: -705.776544 where: bonds (distance) C4'-P energy: -147.605 bonds (distance) P-C4' energy: -121.364 flat angles C4'-P-C4' energy: -169.474 flat angles P-C4'-P energy: -100.405 tors. eta vs tors. theta energy: -166.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2312.558644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.558644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.558644 (E_RNA) where: Base-Base interactions energy: -1588.679 where: short stacking energy: -665.992 Base-Backbone interact. energy: -0.955 local terms energy: -722.924289 where: bonds (distance) C4'-P energy: -137.307 bonds (distance) P-C4' energy: -137.407 flat angles C4'-P-C4' energy: -164.534 flat angles P-C4'-P energy: -105.354 tors. eta vs tors. theta energy: -178.322 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: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1966.130657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.130657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.130657 (E_RNA) where: Base-Base interactions energy: -1344.196 where: short stacking energy: -548.567 Base-Backbone interact. energy: 0.920 local terms energy: -622.853752 where: bonds (distance) C4'-P energy: -136.600 bonds (distance) P-C4' energy: -138.293 flat angles C4'-P-C4' energy: -143.331 flat angles P-C4'-P energy: -77.600 tors. eta vs tors. theta energy: -127.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1702.963876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.963876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.963876 (E_RNA) where: Base-Base interactions energy: -1084.032 where: short stacking energy: -485.261 Base-Backbone interact. energy: -1.382 local terms energy: -617.549414 where: bonds (distance) C4'-P energy: -148.503 bonds (distance) P-C4' energy: -151.101 flat angles C4'-P-C4' energy: -137.924 flat angles P-C4'-P energy: -84.509 tors. eta vs tors. theta energy: -95.512 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: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1179.564325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.564325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.564325 (E_RNA) where: Base-Base interactions energy: -710.397 where: short stacking energy: -326.365 Base-Backbone interact. energy: 1.209 local terms energy: -470.377003 where: bonds (distance) C4'-P energy: -127.883 bonds (distance) P-C4' energy: -139.630 flat angles C4'-P-C4' energy: -121.391 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -11.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3123.232542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.232542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.232542 (E_RNA) where: Base-Base interactions energy: -2186.321 where: short stacking energy: -943.658 Base-Backbone interact. energy: -2.494 local terms energy: -934.418494 where: bonds (distance) C4'-P energy: -162.706 bonds (distance) P-C4' energy: -177.423 flat angles C4'-P-C4' energy: -204.982 flat angles P-C4'-P energy: -117.695 tors. eta vs tors. theta energy: -271.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2967.630841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.630841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.630841 (E_RNA) where: Base-Base interactions energy: -2103.214 where: short stacking energy: -864.313 Base-Backbone interact. energy: 2.750 local terms energy: -867.166517 where: bonds (distance) C4'-P energy: -162.028 bonds (distance) P-C4' energy: -162.429 flat angles C4'-P-C4' energy: -187.897 flat angles P-C4'-P energy: -115.367 tors. eta vs tors. theta energy: -239.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2846.227802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.227802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.227802 (E_RNA) where: Base-Base interactions energy: -1983.697 where: short stacking energy: -832.578 Base-Backbone interact. energy: -1.406 local terms energy: -861.124459 where: bonds (distance) C4'-P energy: -158.074 bonds (distance) P-C4' energy: -174.284 flat angles C4'-P-C4' energy: -176.529 flat angles P-C4'-P energy: -115.603 tors. eta vs tors. theta energy: -236.635 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: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2701.401336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.401336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.401336 (E_RNA) where: Base-Base interactions energy: -1896.851 where: short stacking energy: -767.058 Base-Backbone interact. energy: -3.977 local terms energy: -800.573289 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -165.816 flat angles C4'-P-C4' energy: -173.859 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: -208.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2564.880633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.880633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.880633 (E_RNA) where: Base-Base interactions energy: -1808.251 where: short stacking energy: -790.427 Base-Backbone interact. energy: -4.602 local terms energy: -752.027594 where: bonds (distance) C4'-P energy: -146.447 bonds (distance) P-C4' energy: -143.792 flat angles C4'-P-C4' energy: -162.828 flat angles P-C4'-P energy: -99.482 tors. eta vs tors. theta energy: -199.479 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: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2382.844241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.844241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.844241 (E_RNA) where: Base-Base interactions energy: -1653.411 where: short stacking energy: -721.341 Base-Backbone interact. energy: -1.851 local terms energy: -727.582157 where: bonds (distance) C4'-P energy: -139.271 bonds (distance) P-C4' energy: -137.873 flat angles C4'-P-C4' energy: -166.978 flat angles P-C4'-P energy: -92.395 tors. eta vs tors. theta energy: -191.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2251.298672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.298672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.298672 (E_RNA) where: Base-Base interactions energy: -1537.247 where: short stacking energy: -661.475 Base-Backbone interact. energy: -3.397 local terms energy: -710.654052 where: bonds (distance) C4'-P energy: -124.997 bonds (distance) P-C4' energy: -145.731 flat angles C4'-P-C4' energy: -168.377 flat angles P-C4'-P energy: -100.444 tors. eta vs tors. theta energy: -171.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1930.500067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.500067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.500067 (E_RNA) where: Base-Base interactions energy: -1304.203 where: short stacking energy: -569.048 Base-Backbone interact. energy: 2.097 local terms energy: -628.394727 where: bonds (distance) C4'-P energy: -125.430 bonds (distance) P-C4' energy: -131.491 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -92.696 tors. eta vs tors. theta energy: -130.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1681.948723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.948723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.948723 (E_RNA) where: Base-Base interactions energy: -1111.380 where: short stacking energy: -497.744 Base-Backbone interact. energy: 1.020 local terms energy: -571.588123 where: bonds (distance) C4'-P energy: -127.799 bonds (distance) P-C4' energy: -120.234 flat angles C4'-P-C4' energy: -146.708 flat angles P-C4'-P energy: -79.073 tors. eta vs tors. theta energy: -97.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1154.684518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.684518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.684518 (E_RNA) where: Base-Base interactions energy: -652.509 where: short stacking energy: -325.509 Base-Backbone interact. energy: -2.353 local terms energy: -499.822417 where: bonds (distance) C4'-P energy: -130.223 bonds (distance) P-C4' energy: -143.225 flat angles C4'-P-C4' energy: -143.770 flat angles P-C4'-P energy: -59.118 tors. eta vs tors. theta energy: -23.487 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: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3131.230789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.230789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.230789 (E_RNA) where: Base-Base interactions energy: -2205.621 where: short stacking energy: -977.012 Base-Backbone interact. energy: 3.870 local terms energy: -929.480031 where: bonds (distance) C4'-P energy: -162.816 bonds (distance) P-C4' energy: -162.885 flat angles C4'-P-C4' energy: -193.795 flat angles P-C4'-P energy: -122.793 tors. eta vs tors. theta energy: -287.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2994.176255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.176255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.176255 (E_RNA) where: Base-Base interactions energy: -2078.311 where: short stacking energy: -887.104 Base-Backbone interact. energy: -2.649 local terms energy: -913.215818 where: bonds (distance) C4'-P energy: -162.505 bonds (distance) P-C4' energy: -169.278 flat angles C4'-P-C4' energy: -206.608 flat angles P-C4'-P energy: -128.347 tors. eta vs tors. theta energy: -246.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2842.595968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.595968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.595968 (E_RNA) where: Base-Base interactions energy: -1988.546 where: short stacking energy: -840.468 Base-Backbone interact. energy: -1.393 local terms energy: -852.657601 where: bonds (distance) C4'-P energy: -158.214 bonds (distance) P-C4' energy: -173.378 flat angles C4'-P-C4' energy: -176.875 flat angles P-C4'-P energy: -111.813 tors. eta vs tors. theta energy: -232.376 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: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2664.696562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.696562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.696562 (E_RNA) where: Base-Base interactions energy: -1840.651 where: short stacking energy: -782.353 Base-Backbone interact. energy: -5.801 local terms energy: -818.244359 where: bonds (distance) C4'-P energy: -154.298 bonds (distance) P-C4' energy: -165.383 flat angles C4'-P-C4' energy: -178.212 flat angles P-C4'-P energy: -105.118 tors. eta vs tors. theta energy: -215.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2538.068000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.068000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.068000 (E_RNA) where: Base-Base interactions energy: -1762.546 where: short stacking energy: -720.621 Base-Backbone interact. energy: -1.039 local terms energy: -774.482869 where: bonds (distance) C4'-P energy: -141.797 bonds (distance) P-C4' energy: -155.160 flat angles C4'-P-C4' energy: -177.428 flat angles P-C4'-P energy: -101.723 tors. eta vs tors. theta energy: -198.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2366.103768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.103768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.103768 (E_RNA) where: Base-Base interactions energy: -1640.219 where: short stacking energy: -698.299 Base-Backbone interact. energy: -2.142 local terms energy: -723.742372 where: bonds (distance) C4'-P energy: -146.735 bonds (distance) P-C4' energy: -154.292 flat angles C4'-P-C4' energy: -149.416 flat angles P-C4'-P energy: -81.512 tors. eta vs tors. theta energy: -191.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2249.253423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.253423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.253423 (E_RNA) where: Base-Base interactions energy: -1561.591 where: short stacking energy: -704.953 Base-Backbone interact. energy: -2.571 local terms energy: -685.092043 where: bonds (distance) C4'-P energy: -114.745 bonds (distance) P-C4' energy: -159.529 flat angles C4'-P-C4' energy: -145.123 flat angles P-C4'-P energy: -83.098 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: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1906.641551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.641551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.641551 (E_RNA) where: Base-Base interactions energy: -1273.370 where: short stacking energy: -561.416 Base-Backbone interact. energy: -3.275 local terms energy: -629.996439 where: bonds (distance) C4'-P energy: -127.037 bonds (distance) P-C4' energy: -124.691 flat angles C4'-P-C4' energy: -154.704 flat angles P-C4'-P energy: -97.824 tors. eta vs tors. theta energy: -125.741 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: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1662.870825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.870825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.870825 (E_RNA) where: Base-Base interactions energy: -1081.683 where: short stacking energy: -504.235 Base-Backbone interact. energy: 1.413 local terms energy: -582.600961 where: bonds (distance) C4'-P energy: -139.283 bonds (distance) P-C4' energy: -136.522 flat angles C4'-P-C4' energy: -141.642 flat angles P-C4'-P energy: -83.066 tors. eta vs tors. theta energy: -82.088 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: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1191.980801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.980801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.980801 (E_RNA) where: Base-Base interactions energy: -694.091 where: short stacking energy: -328.723 Base-Backbone interact. energy: -4.139 local terms energy: -493.750899 where: bonds (distance) C4'-P energy: -136.291 bonds (distance) P-C4' energy: -151.499 flat angles C4'-P-C4' energy: -112.135 flat angles P-C4'-P energy: -77.829 tors. eta vs tors. theta energy: -15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3116.240622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.240622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.240622 (E_RNA) where: Base-Base interactions energy: -2191.920 where: short stacking energy: -930.743 Base-Backbone interact. energy: -3.574 local terms energy: -920.746200 where: bonds (distance) C4'-P energy: -170.641 bonds (distance) P-C4' energy: -159.296 flat angles C4'-P-C4' energy: -185.273 flat angles P-C4'-P energy: -122.777 tors. eta vs tors. theta energy: -282.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2973.744766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.744766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.744766 (E_RNA) where: Base-Base interactions energy: -2090.834 where: short stacking energy: -888.644 Base-Backbone interact. energy: -6.257 local terms energy: -876.653921 where: bonds (distance) C4'-P energy: -157.987 bonds (distance) P-C4' energy: -167.283 flat angles C4'-P-C4' energy: -184.125 flat angles P-C4'-P energy: -120.941 tors. eta vs tors. theta energy: -246.319 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: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2873.101513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.101513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.101513 (E_RNA) where: Base-Base interactions energy: -2028.211 where: short stacking energy: -842.668 Base-Backbone interact. energy: 2.533 local terms energy: -847.423174 where: bonds (distance) C4'-P energy: -153.653 bonds (distance) P-C4' energy: -165.639 flat angles C4'-P-C4' energy: -169.592 flat angles P-C4'-P energy: -116.191 tors. eta vs tors. theta energy: -242.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2671.864208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.864208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.864208 (E_RNA) where: Base-Base interactions energy: -1856.787 where: short stacking energy: -799.436 Base-Backbone interact. energy: -2.671 local terms energy: -812.406098 where: bonds (distance) C4'-P energy: -154.513 bonds (distance) P-C4' energy: -164.061 flat angles C4'-P-C4' energy: -164.311 flat angles P-C4'-P energy: -118.109 tors. eta vs tors. theta energy: -211.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2572.133773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.133773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.133773 (E_RNA) where: Base-Base interactions energy: -1823.453 where: short stacking energy: -773.691 Base-Backbone interact. energy: -1.863 local terms energy: -746.817610 where: bonds (distance) C4'-P energy: -138.946 bonds (distance) P-C4' energy: -145.354 flat angles C4'-P-C4' energy: -153.374 flat angles P-C4'-P energy: -99.475 tors. eta vs tors. theta energy: -209.669 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: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2454.021547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.021547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.021547 (E_RNA) where: Base-Base interactions energy: -1700.637 where: short stacking energy: -702.039 Base-Backbone interact. energy: 1.513 local terms energy: -754.897924 where: bonds (distance) C4'-P energy: -139.862 bonds (distance) P-C4' energy: -157.307 flat angles C4'-P-C4' energy: -161.398 flat angles P-C4'-P energy: -116.687 tors. eta vs tors. theta energy: -179.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2234.889271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.889271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.889271 (E_RNA) where: Base-Base interactions energy: -1556.796 where: short stacking energy: -696.875 Base-Backbone interact. energy: 1.745 local terms energy: -679.838583 where: bonds (distance) C4'-P energy: -124.987 bonds (distance) P-C4' energy: -136.642 flat angles C4'-P-C4' energy: -155.437 flat angles P-C4'-P energy: -88.908 tors. eta vs tors. theta energy: -173.864 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: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1934.501042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.501042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.501042 (E_RNA) where: Base-Base interactions energy: -1275.141 where: short stacking energy: -557.959 Base-Backbone interact. energy: -2.007 local terms energy: -657.353566 where: bonds (distance) C4'-P energy: -131.006 bonds (distance) P-C4' energy: -151.079 flat angles C4'-P-C4' energy: -157.441 flat angles P-C4'-P energy: -99.534 tors. eta vs tors. theta energy: -118.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1653.884653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.884653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.884653 (E_RNA) where: Base-Base interactions energy: -1081.284 where: short stacking energy: -487.032 Base-Backbone interact. energy: 2.248 local terms energy: -574.847769 where: bonds (distance) C4'-P energy: -148.949 bonds (distance) P-C4' energy: -142.607 flat angles C4'-P-C4' energy: -141.445 flat angles P-C4'-P energy: -76.687 tors. eta vs tors. theta energy: -65.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1203.307819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.307819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.307819 (E_RNA) where: Base-Base interactions energy: -724.582 where: short stacking energy: -369.394 Base-Backbone interact. energy: 5.326 local terms energy: -484.052233 where: bonds (distance) C4'-P energy: -106.491 bonds (distance) P-C4' energy: -114.182 flat angles C4'-P-C4' energy: -128.354 flat angles P-C4'-P energy: -69.620 tors. eta vs tors. theta energy: -65.405 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: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3105.116058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.116058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.116058 (E_RNA) where: Base-Base interactions energy: -2211.396 where: short stacking energy: -949.034 Base-Backbone interact. energy: -2.516 local terms energy: -891.204163 where: bonds (distance) C4'-P energy: -154.255 bonds (distance) P-C4' energy: -157.297 flat angles C4'-P-C4' energy: -184.216 flat angles P-C4'-P energy: -113.619 tors. eta vs tors. theta energy: -281.816 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: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2948.062476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.062476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.062476 (E_RNA) where: Base-Base interactions energy: -2086.192 where: short stacking energy: -858.769 Base-Backbone interact. energy: 0.753 local terms energy: -862.624127 where: bonds (distance) C4'-P energy: -147.570 bonds (distance) P-C4' energy: -157.600 flat angles C4'-P-C4' energy: -192.434 flat angles P-C4'-P energy: -120.502 tors. eta vs tors. theta energy: -244.518 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: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2891.190204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.190204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.190204 (E_RNA) where: Base-Base interactions energy: -2007.136 where: short stacking energy: -835.892 Base-Backbone interact. energy: -2.497 local terms energy: -881.557808 where: bonds (distance) C4'-P energy: -148.668 bonds (distance) P-C4' energy: -173.990 flat angles C4'-P-C4' energy: -194.185 flat angles P-C4'-P energy: -119.276 tors. eta vs tors. theta energy: -245.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2712.449727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.449727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.449727 (E_RNA) where: Base-Base interactions energy: -1883.860 where: short stacking energy: -797.060 Base-Backbone interact. energy: -2.758 local terms energy: -825.831367 where: bonds (distance) C4'-P energy: -149.690 bonds (distance) P-C4' energy: -161.201 flat angles C4'-P-C4' energy: -193.828 flat angles P-C4'-P energy: -108.251 tors. eta vs tors. theta energy: -212.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2574.360674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.360674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.360674 (E_RNA) where: Base-Base interactions energy: -1770.474 where: short stacking energy: -753.763 Base-Backbone interact. energy: -4.129 local terms energy: -799.757214 where: bonds (distance) C4'-P energy: -146.970 bonds (distance) P-C4' energy: -155.960 flat angles C4'-P-C4' energy: -187.193 flat angles P-C4'-P energy: -110.594 tors. eta vs tors. theta energy: -199.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2479.693552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.693552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.693552 (E_RNA) where: Base-Base interactions energy: -1710.839 where: short stacking energy: -696.990 Base-Backbone interact. energy: -3.438 local terms energy: -765.416536 where: bonds (distance) C4'-P energy: -128.804 bonds (distance) P-C4' energy: -150.915 flat angles C4'-P-C4' energy: -182.016 flat angles P-C4'-P energy: -98.688 tors. eta vs tors. theta energy: -204.994 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: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2299.941638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.941638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.941638 (E_RNA) where: Base-Base interactions energy: -1614.240 where: short stacking energy: -695.134 Base-Backbone interact. energy: -2.214 local terms energy: -683.487672 where: bonds (distance) C4'-P energy: -119.525 bonds (distance) P-C4' energy: -121.731 flat angles C4'-P-C4' energy: -164.945 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -187.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1984.162530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.162530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.162530 (E_RNA) where: Base-Base interactions energy: -1330.068 where: short stacking energy: -586.619 Base-Backbone interact. energy: 2.583 local terms energy: -656.676956 where: bonds (distance) C4'-P energy: -135.609 bonds (distance) P-C4' energy: -128.619 flat angles C4'-P-C4' energy: -158.693 flat angles P-C4'-P energy: -97.389 tors. eta vs tors. theta energy: -136.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1620.473888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.473888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.473888 (E_RNA) where: Base-Base interactions energy: -1062.273 where: short stacking energy: -457.917 Base-Backbone interact. energy: -0.469 local terms energy: -557.732052 where: bonds (distance) C4'-P energy: -151.158 bonds (distance) P-C4' energy: -127.949 flat angles C4'-P-C4' energy: -129.226 flat angles P-C4'-P energy: -74.452 tors. eta vs tors. theta energy: -74.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1210.995200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.995200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.995200 (E_RNA) where: Base-Base interactions energy: -711.492 where: short stacking energy: -342.266 Base-Backbone interact. energy: -0.414 local terms energy: -499.089432 where: bonds (distance) C4'-P energy: -110.590 bonds (distance) P-C4' energy: -142.954 flat angles C4'-P-C4' energy: -116.081 flat angles P-C4'-P energy: -89.895 tors. eta vs tors. theta energy: -39.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3118.571891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.571891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.571891 (E_RNA) where: Base-Base interactions energy: -2147.554 where: short stacking energy: -930.033 Base-Backbone interact. energy: -2.967 local terms energy: -968.050438 where: bonds (distance) C4'-P energy: -175.661 bonds (distance) P-C4' energy: -177.388 flat angles C4'-P-C4' energy: -203.762 flat angles P-C4'-P energy: -138.308 tors. eta vs tors. theta energy: -272.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2998.004070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.004070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.004070 (E_RNA) where: Base-Base interactions energy: -2106.458 where: short stacking energy: -894.119 Base-Backbone interact. energy: -4.064 local terms energy: -887.482800 where: bonds (distance) C4'-P energy: -149.679 bonds (distance) P-C4' energy: -161.020 flat angles C4'-P-C4' energy: -192.510 flat angles P-C4'-P energy: -125.418 tors. eta vs tors. theta energy: -258.857 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: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2867.508557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.508557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.508557 (E_RNA) where: Base-Base interactions energy: -2021.518 where: short stacking energy: -846.557 Base-Backbone interact. energy: -1.519 local terms energy: -844.472138 where: bonds (distance) C4'-P energy: -155.128 bonds (distance) P-C4' energy: -144.206 flat angles C4'-P-C4' energy: -183.010 flat angles P-C4'-P energy: -115.290 tors. eta vs tors. theta energy: -246.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2723.177005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.177005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.177005 (E_RNA) where: Base-Base interactions energy: -1900.745 where: short stacking energy: -782.904 Base-Backbone interact. energy: -6.686 local terms energy: -815.746039 where: bonds (distance) C4'-P energy: -150.823 bonds (distance) P-C4' energy: -172.341 flat angles C4'-P-C4' energy: -174.978 flat angles P-C4'-P energy: -120.854 tors. eta vs tors. theta energy: -196.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2547.934993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.934993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.934993 (E_RNA) where: Base-Base interactions energy: -1792.424 where: short stacking energy: -735.965 Base-Backbone interact. energy: -0.844 local terms energy: -754.666864 where: bonds (distance) C4'-P energy: -138.590 bonds (distance) P-C4' energy: -145.554 flat angles C4'-P-C4' energy: -172.326 flat angles P-C4'-P energy: -113.664 tors. eta vs tors. theta energy: -184.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2462.080476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.080476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.080476 (E_RNA) where: Base-Base interactions energy: -1694.092 where: short stacking energy: -711.776 Base-Backbone interact. energy: -0.933 local terms energy: -767.056124 where: bonds (distance) C4'-P energy: -138.257 bonds (distance) P-C4' energy: -149.917 flat angles C4'-P-C4' energy: -171.603 flat angles P-C4'-P energy: -115.446 tors. eta vs tors. theta energy: -191.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2345.718233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.718233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.718233 (E_RNA) where: Base-Base interactions energy: -1630.748 where: short stacking energy: -697.507 Base-Backbone interact. energy: 0.763 local terms energy: -715.732908 where: bonds (distance) C4'-P energy: -140.542 bonds (distance) P-C4' energy: -141.344 flat angles C4'-P-C4' energy: -152.770 flat angles P-C4'-P energy: -93.320 tors. eta vs tors. theta energy: -187.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1952.117146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.117146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.117146 (E_RNA) where: Base-Base interactions energy: -1331.460 where: short stacking energy: -578.795 Base-Backbone interact. energy: 1.445 local terms energy: -622.101839 where: bonds (distance) C4'-P energy: -119.662 bonds (distance) P-C4' energy: -143.785 flat angles C4'-P-C4' energy: -159.626 flat angles P-C4'-P energy: -77.483 tors. eta vs tors. theta energy: -121.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1549.208668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.208668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.208668 (E_RNA) where: Base-Base interactions energy: -1001.396 where: short stacking energy: -444.293 Base-Backbone interact. energy: -1.007 local terms energy: -546.805435 where: bonds (distance) C4'-P energy: -119.734 bonds (distance) P-C4' energy: -132.146 flat angles C4'-P-C4' energy: -146.331 flat angles P-C4'-P energy: -98.732 tors. eta vs tors. theta energy: -49.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1179.632386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.632386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.632386 (E_RNA) where: Base-Base interactions energy: -686.839 where: short stacking energy: -305.529 Base-Backbone interact. energy: -0.600 local terms energy: -492.193513 where: bonds (distance) C4'-P energy: -125.731 bonds (distance) P-C4' energy: -154.851 flat angles C4'-P-C4' energy: -126.912 flat angles P-C4'-P energy: -59.317 tors. eta vs tors. theta energy: -25.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3078.109434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.109434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.109434 (E_RNA) where: Base-Base interactions energy: -2144.624 where: short stacking energy: -942.148 Base-Backbone interact. energy: -3.560 local terms energy: -929.925096 where: bonds (distance) C4'-P energy: -179.336 bonds (distance) P-C4' energy: -149.287 flat angles C4'-P-C4' energy: -199.316 flat angles P-C4'-P energy: -130.667 tors. eta vs tors. theta energy: -271.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2978.461393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.461393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.461393 (E_RNA) where: Base-Base interactions energy: -2088.059 where: short stacking energy: -867.499 Base-Backbone interact. energy: -3.085 local terms energy: -887.317223 where: bonds (distance) C4'-P energy: -158.219 bonds (distance) P-C4' energy: -164.396 flat angles C4'-P-C4' energy: -190.472 flat angles P-C4'-P energy: -131.270 tors. eta vs tors. theta energy: -242.961 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: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2886.061556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.061556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.061556 (E_RNA) where: Base-Base interactions energy: -2010.147 where: short stacking energy: -868.905 Base-Backbone interact. energy: -7.270 local terms energy: -868.645433 where: bonds (distance) C4'-P energy: -155.781 bonds (distance) P-C4' energy: -172.656 flat angles C4'-P-C4' energy: -173.717 flat angles P-C4'-P energy: -112.984 tors. eta vs tors. theta energy: -253.507 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: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2758.967618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.967618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.967618 (E_RNA) where: Base-Base interactions energy: -1922.370 where: short stacking energy: -815.337 Base-Backbone interact. energy: -4.907 local terms energy: -831.690552 where: bonds (distance) C4'-P energy: -152.509 bonds (distance) P-C4' energy: -158.267 flat angles C4'-P-C4' energy: -173.258 flat angles P-C4'-P energy: -125.018 tors. eta vs tors. theta energy: -222.638 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: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2617.577999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.577999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.577999 (E_RNA) where: Base-Base interactions energy: -1790.616 where: short stacking energy: -767.652 Base-Backbone interact. energy: -5.549 local terms energy: -821.413265 where: bonds (distance) C4'-P energy: -161.092 bonds (distance) P-C4' energy: -156.483 flat angles C4'-P-C4' energy: -174.578 flat angles P-C4'-P energy: -113.043 tors. eta vs tors. theta energy: -216.217 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: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2426.135752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.135752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.135752 (E_RNA) where: Base-Base interactions energy: -1679.699 where: short stacking energy: -724.500 Base-Backbone interact. energy: -2.485 local terms energy: -743.952314 where: bonds (distance) C4'-P energy: -125.325 bonds (distance) P-C4' energy: -140.314 flat angles C4'-P-C4' energy: -186.908 flat angles P-C4'-P energy: -113.115 tors. eta vs tors. theta energy: -178.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2280.848893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.848893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.848893 (E_RNA) where: Base-Base interactions energy: -1548.905 where: short stacking energy: -660.089 Base-Backbone interact. energy: 1.555 local terms energy: -733.499450 where: bonds (distance) C4'-P energy: -124.539 bonds (distance) P-C4' energy: -158.619 flat angles C4'-P-C4' energy: -167.692 flat angles P-C4'-P energy: -109.632 tors. eta vs tors. theta energy: -173.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1924.168891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.168891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.168891 (E_RNA) where: Base-Base interactions energy: -1283.526 where: short stacking energy: -552.255 Base-Backbone interact. energy: -1.007 local terms energy: -639.636336 where: bonds (distance) C4'-P energy: -107.748 bonds (distance) P-C4' energy: -157.666 flat angles C4'-P-C4' energy: -157.955 flat angles P-C4'-P energy: -96.975 tors. eta vs tors. theta energy: -119.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1584.679610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.679610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.679610 (E_RNA) where: Base-Base interactions energy: -985.869 where: short stacking energy: -437.121 Base-Backbone interact. energy: -3.855 local terms energy: -594.956092 where: bonds (distance) C4'-P energy: -136.508 bonds (distance) P-C4' energy: -155.916 flat angles C4'-P-C4' energy: -153.936 flat angles P-C4'-P energy: -89.109 tors. eta vs tors. theta energy: -59.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1067.116150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.116150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.116150 (E_RNA) where: Base-Base interactions energy: -618.937 where: short stacking energy: -313.108 Base-Backbone interact. energy: 7.044 local terms energy: -455.223342 where: bonds (distance) C4'-P energy: -118.218 bonds (distance) P-C4' energy: -114.747 flat angles C4'-P-C4' energy: -142.678 flat angles P-C4'-P energy: -70.399 tors. eta vs tors. theta energy: -9.181 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: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3077.652897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.652897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.652897 (E_RNA) where: Base-Base interactions energy: -2139.473 where: short stacking energy: -926.070 Base-Backbone interact. energy: -3.243 local terms energy: -934.936863 where: bonds (distance) C4'-P energy: -161.964 bonds (distance) P-C4' energy: -182.059 flat angles C4'-P-C4' energy: -189.645 flat angles P-C4'-P energy: -129.831 tors. eta vs tors. theta energy: -271.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3012.956018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.956018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.956018 (E_RNA) where: Base-Base interactions energy: -2085.071 where: short stacking energy: -887.593 Base-Backbone interact. energy: -3.989 local terms energy: -923.896295 where: bonds (distance) C4'-P energy: -165.168 bonds (distance) P-C4' energy: -174.529 flat angles C4'-P-C4' energy: -190.770 flat angles P-C4'-P energy: -138.548 tors. eta vs tors. theta energy: -254.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2880.002588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.002588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.002588 (E_RNA) where: Base-Base interactions energy: -2018.928 where: short stacking energy: -867.663 Base-Backbone interact. energy: -2.232 local terms energy: -858.842746 where: bonds (distance) C4'-P energy: -145.218 bonds (distance) P-C4' energy: -160.514 flat angles C4'-P-C4' energy: -183.558 flat angles P-C4'-P energy: -121.870 tors. eta vs tors. theta energy: -247.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2733.162591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.162591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.162591 (E_RNA) where: Base-Base interactions energy: -1944.094 where: short stacking energy: -830.102 Base-Backbone interact. energy: -3.647 local terms energy: -785.421077 where: bonds (distance) C4'-P energy: -139.780 bonds (distance) P-C4' energy: -155.190 flat angles C4'-P-C4' energy: -157.246 flat angles P-C4'-P energy: -103.565 tors. eta vs tors. theta energy: -229.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2580.787400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.787400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.787400 (E_RNA) where: Base-Base interactions energy: -1798.657 where: short stacking energy: -784.513 Base-Backbone interact. energy: -5.311 local terms energy: -776.818546 where: bonds (distance) C4'-P energy: -149.809 bonds (distance) P-C4' energy: -148.193 flat angles C4'-P-C4' energy: -162.978 flat angles P-C4'-P energy: -109.453 tors. eta vs tors. theta energy: -206.387 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: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2416.334198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.334198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.334198 (E_RNA) where: Base-Base interactions energy: -1675.692 where: short stacking energy: -688.485 Base-Backbone interact. energy: -4.045 local terms energy: -736.598055 where: bonds (distance) C4'-P energy: -140.600 bonds (distance) P-C4' energy: -150.636 flat angles C4'-P-C4' energy: -164.506 flat angles P-C4'-P energy: -104.798 tors. eta vs tors. theta energy: -176.058 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: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2276.632919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.632919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.632919 (E_RNA) where: Base-Base interactions energy: -1536.642 where: short stacking energy: -644.343 Base-Backbone interact. energy: -1.801 local terms energy: -738.190222 where: bonds (distance) C4'-P energy: -151.554 bonds (distance) P-C4' energy: -153.153 flat angles C4'-P-C4' energy: -159.069 flat angles P-C4'-P energy: -106.964 tors. eta vs tors. theta energy: -167.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1914.259348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.259348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.259348 (E_RNA) where: Base-Base interactions energy: -1300.671 where: short stacking energy: -581.256 Base-Backbone interact. energy: 1.856 local terms energy: -615.444612 where: bonds (distance) C4'-P energy: -108.624 bonds (distance) P-C4' energy: -140.099 flat angles C4'-P-C4' energy: -163.100 flat angles P-C4'-P energy: -73.770 tors. eta vs tors. theta energy: -129.851 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: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1471.126891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.126891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.126891 (E_RNA) where: Base-Base interactions energy: -930.375 where: short stacking energy: -411.690 Base-Backbone interact. energy: -3.780 local terms energy: -536.971482 where: bonds (distance) C4'-P energy: -133.774 bonds (distance) P-C4' energy: -132.924 flat angles C4'-P-C4' energy: -122.341 flat angles P-C4'-P energy: -88.836 tors. eta vs tors. theta energy: -59.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1041.951652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.951652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.951652 (E_RNA) where: Base-Base interactions energy: -591.935 where: short stacking energy: -299.920 Base-Backbone interact. energy: 4.139 local terms energy: -454.155046 where: bonds (distance) C4'-P energy: -126.726 bonds (distance) P-C4' energy: -131.101 flat angles C4'-P-C4' energy: -119.659 flat angles P-C4'-P energy: -77.098 tors. eta vs tors. theta energy: 0.430 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: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3089.183924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.183924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.183924 (E_RNA) where: Base-Base interactions energy: -2137.352 where: short stacking energy: -930.517 Base-Backbone interact. energy: 0.531 local terms energy: -952.363299 where: bonds (distance) C4'-P energy: -161.635 bonds (distance) P-C4' energy: -178.600 flat angles C4'-P-C4' energy: -190.109 flat angles P-C4'-P energy: -153.182 tors. eta vs tors. theta energy: -268.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2995.550207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.550207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.550207 (E_RNA) where: Base-Base interactions energy: -2111.267 where: short stacking energy: -863.172 Base-Backbone interact. energy: -1.447 local terms energy: -882.836371 where: bonds (distance) C4'-P energy: -168.140 bonds (distance) P-C4' energy: -143.869 flat angles C4'-P-C4' energy: -189.709 flat angles P-C4'-P energy: -126.549 tors. eta vs tors. theta energy: -254.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2870.060298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.060298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.060298 (E_RNA) where: Base-Base interactions energy: -2021.253 where: short stacking energy: -868.060 Base-Backbone interact. energy: -1.805 local terms energy: -847.002474 where: bonds (distance) C4'-P energy: -145.294 bonds (distance) P-C4' energy: -145.443 flat angles C4'-P-C4' energy: -185.621 flat angles P-C4'-P energy: -123.362 tors. eta vs tors. theta energy: -247.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2781.956776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.956776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.956776 (E_RNA) where: Base-Base interactions energy: -1960.804 where: short stacking energy: -813.990 Base-Backbone interact. energy: -3.849 local terms energy: -817.303710 where: bonds (distance) C4'-P energy: -155.966 bonds (distance) P-C4' energy: -148.182 flat angles C4'-P-C4' energy: -169.230 flat angles P-C4'-P energy: -108.919 tors. eta vs tors. theta energy: -235.007 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: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2591.882508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.882508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.882508 (E_RNA) where: Base-Base interactions energy: -1773.159 where: short stacking energy: -758.463 Base-Backbone interact. energy: -1.363 local terms energy: -817.361013 where: bonds (distance) C4'-P energy: -139.894 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -178.793 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -215.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2375.225176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.225176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.225176 (E_RNA) where: Base-Base interactions energy: -1644.984 where: short stacking energy: -673.932 Base-Backbone interact. energy: 1.687 local terms energy: -731.927945 where: bonds (distance) C4'-P energy: -162.519 bonds (distance) P-C4' energy: -146.590 flat angles C4'-P-C4' energy: -153.562 flat angles P-C4'-P energy: -96.830 tors. eta vs tors. theta energy: -172.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2316.384503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.384503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.384503 (E_RNA) where: Base-Base interactions energy: -1575.455 where: short stacking energy: -677.371 Base-Backbone interact. energy: -0.435 local terms energy: -740.493836 where: bonds (distance) C4'-P energy: -155.290 bonds (distance) P-C4' energy: -144.989 flat angles C4'-P-C4' energy: -159.074 flat angles P-C4'-P energy: -102.998 tors. eta vs tors. theta energy: -178.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1911.284065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.284065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.284065 (E_RNA) where: Base-Base interactions energy: -1277.141 where: short stacking energy: -525.729 Base-Backbone interact. energy: 1.840 local terms energy: -635.983268 where: bonds (distance) C4'-P energy: -153.750 bonds (distance) P-C4' energy: -133.648 flat angles C4'-P-C4' energy: -156.810 flat angles P-C4'-P energy: -88.227 tors. eta vs tors. theta energy: -103.548 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: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1515.575840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.575840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.575840 (E_RNA) where: Base-Base interactions energy: -980.696 where: short stacking energy: -445.917 Base-Backbone interact. energy: -2.221 local terms energy: -532.658614 where: bonds (distance) C4'-P energy: -121.706 bonds (distance) P-C4' energy: -129.172 flat angles C4'-P-C4' energy: -135.929 flat angles P-C4'-P energy: -71.102 tors. eta vs tors. theta energy: -74.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1086.457052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.457052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.457052 (E_RNA) where: Base-Base interactions energy: -622.205 where: short stacking energy: -297.543 Base-Backbone interact. energy: 1.908 local terms energy: -466.160139 where: bonds (distance) C4'-P energy: -131.421 bonds (distance) P-C4' energy: -147.422 flat angles C4'-P-C4' energy: -104.804 flat angles P-C4'-P energy: -71.699 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: 1, replica: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3053.570324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.570324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.570324 (E_RNA) where: Base-Base interactions energy: -2140.823 where: short stacking energy: -947.959 Base-Backbone interact. energy: -2.894 local terms energy: -909.853870 where: bonds (distance) C4'-P energy: -158.231 bonds (distance) P-C4' energy: -161.923 flat angles C4'-P-C4' energy: -199.283 flat angles P-C4'-P energy: -115.328 tors. eta vs tors. theta energy: -275.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3021.473484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.473484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.473484 (E_RNA) where: Base-Base interactions energy: -2110.661 where: short stacking energy: -889.942 Base-Backbone interact. energy: -4.221 local terms energy: -906.591536 where: bonds (distance) C4'-P energy: -160.431 bonds (distance) P-C4' energy: -164.360 flat angles C4'-P-C4' energy: -193.850 flat angles P-C4'-P energy: -125.045 tors. eta vs tors. theta energy: -262.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2888.381388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.381388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.381388 (E_RNA) where: Base-Base interactions energy: -2021.129 where: short stacking energy: -856.408 Base-Backbone interact. energy: 0.337 local terms energy: -867.589290 where: bonds (distance) C4'-P energy: -152.531 bonds (distance) P-C4' energy: -164.706 flat angles C4'-P-C4' energy: -194.960 flat angles P-C4'-P energy: -117.695 tors. eta vs tors. theta energy: -237.697 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: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2781.734597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.734597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.734597 (E_RNA) where: Base-Base interactions energy: -1944.347 where: short stacking energy: -829.224 Base-Backbone interact. energy: -5.420 local terms energy: -831.968109 where: bonds (distance) C4'-P energy: -147.892 bonds (distance) P-C4' energy: -144.540 flat angles C4'-P-C4' energy: -188.631 flat angles P-C4'-P energy: -115.732 tors. eta vs tors. theta energy: -235.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2540.730288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.730288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.730288 (E_RNA) where: Base-Base interactions energy: -1729.642 where: short stacking energy: -764.287 Base-Backbone interact. energy: -3.722 local terms energy: -807.366894 where: bonds (distance) C4'-P energy: -140.124 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -169.797 flat angles P-C4'-P energy: -120.123 tors. eta vs tors. theta energy: -220.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2467.549257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.549257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.549257 (E_RNA) where: Base-Base interactions energy: -1771.044 where: short stacking energy: -720.053 Base-Backbone interact. energy: 2.670 local terms energy: -699.175320 where: bonds (distance) C4'-P energy: -135.177 bonds (distance) P-C4' energy: -138.837 flat angles C4'-P-C4' energy: -139.996 flat angles P-C4'-P energy: -91.983 tors. eta vs tors. theta energy: -193.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2362.914771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.914771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.914771 (E_RNA) where: Base-Base interactions energy: -1624.088 where: short stacking energy: -707.183 Base-Backbone interact. energy: -0.413 local terms energy: -738.413444 where: bonds (distance) C4'-P energy: -132.856 bonds (distance) P-C4' energy: -144.288 flat angles C4'-P-C4' energy: -168.906 flat angles P-C4'-P energy: -99.654 tors. eta vs tors. theta energy: -192.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1941.309553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.309553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.309553 (E_RNA) where: Base-Base interactions energy: -1312.518 where: short stacking energy: -547.245 Base-Backbone interact. energy: -0.385 local terms energy: -628.407090 where: bonds (distance) C4'-P energy: -131.696 bonds (distance) P-C4' energy: -142.246 flat angles C4'-P-C4' energy: -146.356 flat angles P-C4'-P energy: -93.511 tors. eta vs tors. theta energy: -114.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1540.299060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.299060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.299060 (E_RNA) where: Base-Base interactions energy: -947.077 where: short stacking energy: -426.223 Base-Backbone interact. energy: 2.689 local terms energy: -595.911164 where: bonds (distance) C4'-P energy: -132.374 bonds (distance) P-C4' energy: -139.695 flat angles C4'-P-C4' energy: -152.264 flat angles P-C4'-P energy: -91.643 tors. eta vs tors. theta energy: -79.935 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: 422 Temperature: 1.350000 Total energy: -1178.932854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.932854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.932854 (E_RNA) where: Base-Base interactions energy: -672.827 where: short stacking energy: -329.269 Base-Backbone interact. energy: 1.409 local terms energy: -507.515002 where: bonds (distance) C4'-P energy: -142.991 bonds (distance) P-C4' energy: -134.229 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -65.864 tors. eta vs tors. theta energy: -30.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3094.248822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.248822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.248822 (E_RNA) where: Base-Base interactions energy: -2151.765 where: short stacking energy: -947.249 Base-Backbone interact. energy: -0.715 local terms energy: -941.768146 where: bonds (distance) C4'-P energy: -169.444 bonds (distance) P-C4' energy: -171.854 flat angles C4'-P-C4' energy: -189.092 flat angles P-C4'-P energy: -140.799 tors. eta vs tors. theta energy: -270.579 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: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2987.760620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.760620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.760620 (E_RNA) where: Base-Base interactions energy: -2087.912 where: short stacking energy: -864.808 Base-Backbone interact. energy: -2.602 local terms energy: -897.246886 where: bonds (distance) C4'-P energy: -161.354 bonds (distance) P-C4' energy: -162.246 flat angles C4'-P-C4' energy: -191.662 flat angles P-C4'-P energy: -124.573 tors. eta vs tors. theta energy: -257.412 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: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2839.414267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.414267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.414267 (E_RNA) where: Base-Base interactions energy: -1986.834 where: short stacking energy: -853.514 Base-Backbone interact. energy: -3.944 local terms energy: -848.636554 where: bonds (distance) C4'-P energy: -151.973 bonds (distance) P-C4' energy: -164.970 flat angles C4'-P-C4' energy: -184.772 flat angles P-C4'-P energy: -113.577 tors. eta vs tors. theta energy: -233.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2760.534043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.534043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.534043 (E_RNA) where: Base-Base interactions energy: -1946.816 where: short stacking energy: -835.587 Base-Backbone interact. energy: 0.000 local terms energy: -813.717969 where: bonds (distance) C4'-P energy: -132.991 bonds (distance) P-C4' energy: -173.469 flat angles C4'-P-C4' energy: -175.297 flat angles P-C4'-P energy: -106.636 tors. eta vs tors. theta energy: -225.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2511.930872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.930872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.930872 (E_RNA) where: Base-Base interactions energy: -1766.955 where: short stacking energy: -752.105 Base-Backbone interact. energy: -1.089 local terms energy: -743.886404 where: bonds (distance) C4'-P energy: -140.979 bonds (distance) P-C4' energy: -149.178 flat angles C4'-P-C4' energy: -149.244 flat angles P-C4'-P energy: -107.483 tors. eta vs tors. theta energy: -197.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2462.744990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.744990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.744990 (E_RNA) where: Base-Base interactions energy: -1678.536 where: short stacking energy: -726.617 Base-Backbone interact. energy: -2.306 local terms energy: -781.902790 where: bonds (distance) C4'-P energy: -148.457 bonds (distance) P-C4' energy: -170.919 flat angles C4'-P-C4' energy: -158.917 flat angles P-C4'-P energy: -119.166 tors. eta vs tors. theta energy: -184.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2271.814270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.814270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.814270 (E_RNA) where: Base-Base interactions energy: -1553.122 where: short stacking energy: -632.613 Base-Backbone interact. energy: 1.497 local terms energy: -720.189069 where: bonds (distance) C4'-P energy: -142.646 bonds (distance) P-C4' energy: -161.519 flat angles C4'-P-C4' energy: -168.040 flat angles P-C4'-P energy: -87.450 tors. eta vs tors. theta energy: -160.534 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: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -2048.354349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.354349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.354349 (E_RNA) where: Base-Base interactions energy: -1378.489 where: short stacking energy: -575.849 Base-Backbone interact. energy: -1.766 local terms energy: -668.100138 where: bonds (distance) C4'-P energy: -121.687 bonds (distance) P-C4' energy: -157.712 flat angles C4'-P-C4' energy: -164.906 flat angles P-C4'-P energy: -101.202 tors. eta vs tors. theta energy: -122.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1495.213487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.213487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.213487 (E_RNA) where: Base-Base interactions energy: -948.347 where: short stacking energy: -423.708 Base-Backbone interact. energy: -1.654 local terms energy: -545.212526 where: bonds (distance) C4'-P energy: -133.297 bonds (distance) P-C4' energy: -140.159 flat angles C4'-P-C4' energy: -139.302 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -59.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1237.586866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.586866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.586866 (E_RNA) where: Base-Base interactions energy: -754.686 where: short stacking energy: -347.948 Base-Backbone interact. energy: 4.463 local terms energy: -487.363427 where: bonds (distance) C4'-P energy: -128.683 bonds (distance) P-C4' energy: -124.621 flat angles C4'-P-C4' energy: -106.522 flat angles P-C4'-P energy: -78.832 tors. eta vs tors. theta energy: -48.705 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: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3081.987283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.987283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.987283 (E_RNA) where: Base-Base interactions energy: -2128.953 where: short stacking energy: -937.992 Base-Backbone interact. energy: -3.678 local terms energy: -949.355735 where: bonds (distance) C4'-P energy: -177.923 bonds (distance) P-C4' energy: -160.248 flat angles C4'-P-C4' energy: -201.946 flat angles P-C4'-P energy: -137.860 tors. eta vs tors. theta energy: -271.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2974.170050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.170050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.170050 (E_RNA) where: Base-Base interactions energy: -2100.879 where: short stacking energy: -861.432 Base-Backbone interact. energy: 1.977 local terms energy: -875.268477 where: bonds (distance) C4'-P energy: -172.495 bonds (distance) P-C4' energy: -158.725 flat angles C4'-P-C4' energy: -191.150 flat angles P-C4'-P energy: -107.136 tors. eta vs tors. theta energy: -245.763 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: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2849.178926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.178926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.178926 (E_RNA) where: Base-Base interactions energy: -1981.373 where: short stacking energy: -839.817 Base-Backbone interact. energy: -4.739 local terms energy: -863.067327 where: bonds (distance) C4'-P energy: -161.510 bonds (distance) P-C4' energy: -170.604 flat angles C4'-P-C4' energy: -195.016 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -238.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2791.994501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.994501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.994501 (E_RNA) where: Base-Base interactions energy: -1991.354 where: short stacking energy: -836.043 Base-Backbone interact. energy: 1.177 local terms energy: -801.817399 where: bonds (distance) C4'-P energy: -147.347 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -161.933 flat angles P-C4'-P energy: -111.656 tors. eta vs tors. theta energy: -232.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2599.348221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.348221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.348221 (E_RNA) where: Base-Base interactions energy: -1764.799 where: short stacking energy: -759.603 Base-Backbone interact. energy: 1.391 local terms energy: -835.939592 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -157.910 flat angles C4'-P-C4' energy: -193.711 flat angles P-C4'-P energy: -132.571 tors. eta vs tors. theta energy: -216.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2385.399278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.399278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.399278 (E_RNA) where: Base-Base interactions energy: -1640.940 where: short stacking energy: -716.576 Base-Backbone interact. energy: -2.109 local terms energy: -742.350055 where: bonds (distance) C4'-P energy: -131.542 bonds (distance) P-C4' energy: -164.676 flat angles C4'-P-C4' energy: -152.835 flat angles P-C4'-P energy: -109.373 tors. eta vs tors. theta energy: -183.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2339.037445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.037445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.037445 (E_RNA) where: Base-Base interactions energy: -1608.478 where: short stacking energy: -684.371 Base-Backbone interact. energy: -4.094 local terms energy: -726.465259 where: bonds (distance) C4'-P energy: -138.672 bonds (distance) P-C4' energy: -147.425 flat angles C4'-P-C4' energy: -160.056 flat angles P-C4'-P energy: -109.792 tors. eta vs tors. theta energy: -170.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1981.916726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.916726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.916726 (E_RNA) where: Base-Base interactions energy: -1362.496 where: short stacking energy: -579.600 Base-Backbone interact. energy: 0.501 local terms energy: -619.921317 where: bonds (distance) C4'-P energy: -135.138 bonds (distance) P-C4' energy: -133.867 flat angles C4'-P-C4' energy: -144.035 flat angles P-C4'-P energy: -91.517 tors. eta vs tors. theta energy: -115.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1552.286253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.286253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.286253 (E_RNA) where: Base-Base interactions energy: -1024.335 where: short stacking energy: -469.926 Base-Backbone interact. energy: 7.330 local terms energy: -535.281329 where: bonds (distance) C4'-P energy: -100.648 bonds (distance) P-C4' energy: -151.780 flat angles C4'-P-C4' energy: -143.308 flat angles P-C4'-P energy: -77.226 tors. eta vs tors. theta energy: -62.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1176.634971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.634971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.634971 (E_RNA) where: Base-Base interactions energy: -671.876 where: short stacking energy: -335.028 Base-Backbone interact. energy: 1.342 local terms energy: -506.101192 where: bonds (distance) C4'-P energy: -139.404 bonds (distance) P-C4' energy: -148.405 flat angles C4'-P-C4' energy: -121.401 flat angles P-C4'-P energy: -66.120 tors. eta vs tors. theta energy: -30.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3096.957268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.957268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.957268 (E_RNA) where: Base-Base interactions energy: -2158.794 where: short stacking energy: -966.192 Base-Backbone interact. energy: 0.459 local terms energy: -938.622374 where: bonds (distance) C4'-P energy: -163.338 bonds (distance) P-C4' energy: -170.240 flat angles C4'-P-C4' energy: -189.438 flat angles P-C4'-P energy: -128.856 tors. eta vs tors. theta energy: -286.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2957.765872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.765872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.765872 (E_RNA) where: Base-Base interactions energy: -2064.536 where: short stacking energy: -878.541 Base-Backbone interact. energy: -4.568 local terms energy: -888.661213 where: bonds (distance) C4'-P energy: -169.193 bonds (distance) P-C4' energy: -170.045 flat angles C4'-P-C4' energy: -185.384 flat angles P-C4'-P energy: -114.737 tors. eta vs tors. theta energy: -249.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2913.863893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.863893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.863893 (E_RNA) where: Base-Base interactions energy: -2076.452 where: short stacking energy: -863.059 Base-Backbone interact. energy: 0.723 local terms energy: -838.135404 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -169.248 flat angles C4'-P-C4' energy: -167.936 flat angles P-C4'-P energy: -109.946 tors. eta vs tors. theta energy: -244.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2798.611866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.611866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.611866 (E_RNA) where: Base-Base interactions energy: -1977.822 where: short stacking energy: -842.021 Base-Backbone interact. energy: 10.058 local terms energy: -830.848056 where: bonds (distance) C4'-P energy: -157.185 bonds (distance) P-C4' energy: -156.028 flat angles C4'-P-C4' energy: -190.338 flat angles P-C4'-P energy: -98.377 tors. eta vs tors. theta energy: -228.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2587.496867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.496867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.496867 (E_RNA) where: Base-Base interactions energy: -1805.246 where: short stacking energy: -771.502 Base-Backbone interact. energy: 0.438 local terms energy: -782.688835 where: bonds (distance) C4'-P energy: -138.041 bonds (distance) P-C4' energy: -158.050 flat angles C4'-P-C4' energy: -171.593 flat angles P-C4'-P energy: -94.081 tors. eta vs tors. theta energy: -220.924 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: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2377.051817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.051817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.051817 (E_RNA) where: Base-Base interactions energy: -1639.709 where: short stacking energy: -699.339 Base-Backbone interact. energy: -1.371 local terms energy: -735.971173 where: bonds (distance) C4'-P energy: -134.230 bonds (distance) P-C4' energy: -158.431 flat angles C4'-P-C4' energy: -139.370 flat angles P-C4'-P energy: -122.772 tors. eta vs tors. theta energy: -181.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2334.539505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.539505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.539505 (E_RNA) where: Base-Base interactions energy: -1577.465 where: short stacking energy: -664.788 Base-Backbone interact. energy: -3.076 local terms energy: -753.998962 where: bonds (distance) C4'-P energy: -145.989 bonds (distance) P-C4' energy: -156.917 flat angles C4'-P-C4' energy: -176.055 flat angles P-C4'-P energy: -108.721 tors. eta vs tors. theta energy: -166.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1935.023562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.023562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.023562 (E_RNA) where: Base-Base interactions energy: -1284.420 where: short stacking energy: -568.926 Base-Backbone interact. energy: -6.406 local terms energy: -644.197741 where: bonds (distance) C4'-P energy: -118.704 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -139.357 flat angles P-C4'-P energy: -115.532 tors. eta vs tors. theta energy: -121.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1548.006554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.006554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.006554 (E_RNA) where: Base-Base interactions energy: -956.750 where: short stacking energy: -433.624 Base-Backbone interact. energy: -3.472 local terms energy: -587.784847 where: bonds (distance) C4'-P energy: -137.982 bonds (distance) P-C4' energy: -161.347 flat angles C4'-P-C4' energy: -130.216 flat angles P-C4'-P energy: -89.476 tors. eta vs tors. theta energy: -68.764 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1139.819971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.819971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.819971 (E_RNA) where: Base-Base interactions energy: -674.236 where: short stacking energy: -316.069 Base-Backbone interact. energy: -3.891 local terms energy: -461.692135 where: bonds (distance) C4'-P energy: -139.892 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -115.552 flat angles P-C4'-P energy: -54.062 tors. eta vs tors. theta energy: -13.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3099.245995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.245995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.245995 (E_RNA) where: Base-Base interactions energy: -2147.683 where: short stacking energy: -926.470 Base-Backbone interact. energy: -4.652 local terms energy: -946.910709 where: bonds (distance) C4'-P energy: -160.470 bonds (distance) P-C4' energy: -167.794 flat angles C4'-P-C4' energy: -198.286 flat angles P-C4'-P energy: -138.760 tors. eta vs tors. theta energy: -281.600 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: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2987.467136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.467136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.467136 (E_RNA) where: Base-Base interactions energy: -2053.486 where: short stacking energy: -836.844 Base-Backbone interact. energy: 3.016 local terms energy: -936.997298 where: bonds (distance) C4'-P energy: -177.144 bonds (distance) P-C4' energy: -169.516 flat angles C4'-P-C4' energy: -196.707 flat angles P-C4'-P energy: -142.578 tors. eta vs tors. theta energy: -251.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2902.887747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.887747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.887747 (E_RNA) where: Base-Base interactions energy: -2042.834 where: short stacking energy: -833.200 Base-Backbone interact. energy: -1.220 local terms energy: -858.833556 where: bonds (distance) C4'-P energy: -146.413 bonds (distance) P-C4' energy: -176.436 flat angles C4'-P-C4' energy: -180.457 flat angles P-C4'-P energy: -114.297 tors. eta vs tors. theta energy: -241.230 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: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2796.879977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.879977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.879977 (E_RNA) where: Base-Base interactions energy: -1935.643 where: short stacking energy: -825.559 Base-Backbone interact. energy: -0.205 local terms energy: -861.031433 where: bonds (distance) C4'-P energy: -153.661 bonds (distance) P-C4' energy: -170.292 flat angles C4'-P-C4' energy: -191.023 flat angles P-C4'-P energy: -107.561 tors. eta vs tors. theta energy: -238.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2579.860325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.860325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.860325 (E_RNA) where: Base-Base interactions energy: -1748.490 where: short stacking energy: -757.861 Base-Backbone interact. energy: -3.877 local terms energy: -827.492739 where: bonds (distance) C4'-P energy: -132.563 bonds (distance) P-C4' energy: -178.189 flat angles C4'-P-C4' energy: -191.548 flat angles P-C4'-P energy: -101.826 tors. eta vs tors. theta energy: -223.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2429.628078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.628078 (E_RNA) where: Base-Base interactions energy: -1647.232 where: short stacking energy: -730.987 Base-Backbone interact. energy: -1.055 local terms energy: -781.341042 where: bonds (distance) C4'-P energy: -142.675 bonds (distance) P-C4' energy: -144.105 flat angles C4'-P-C4' energy: -181.504 flat angles P-C4'-P energy: -122.374 tors. eta vs tors. theta energy: -190.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2345.327501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.327501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.327501 (E_RNA) where: Base-Base interactions energy: -1589.617 where: short stacking energy: -677.630 Base-Backbone interact. energy: 1.225 local terms energy: -756.935656 where: bonds (distance) C4'-P energy: -140.322 bonds (distance) P-C4' energy: -146.977 flat angles C4'-P-C4' energy: -170.685 flat angles P-C4'-P energy: -124.801 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: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1981.915001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.915001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.915001 (E_RNA) where: Base-Base interactions energy: -1324.930 where: short stacking energy: -585.564 Base-Backbone interact. energy: 0.909 local terms energy: -657.894332 where: bonds (distance) C4'-P energy: -123.384 bonds (distance) P-C4' energy: -149.578 flat angles C4'-P-C4' energy: -159.536 flat angles P-C4'-P energy: -88.321 tors. eta vs tors. theta energy: -137.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1578.767347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.767347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.767347 (E_RNA) where: Base-Base interactions energy: -1034.344 where: short stacking energy: -482.010 Base-Backbone interact. energy: -3.443 local terms energy: -540.980719 where: bonds (distance) C4'-P energy: -120.743 bonds (distance) P-C4' energy: -110.578 flat angles C4'-P-C4' energy: -161.426 flat angles P-C4'-P energy: -69.406 tors. eta vs tors. theta energy: -78.827 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: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1199.380816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.380816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.380816 (E_RNA) where: Base-Base interactions energy: -715.050 where: short stacking energy: -360.495 Base-Backbone interact. energy: 5.946 local terms energy: -490.277605 where: bonds (distance) C4'-P energy: -126.751 bonds (distance) P-C4' energy: -155.483 flat angles C4'-P-C4' energy: -108.016 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -41.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3113.874090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.874090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.874090 (E_RNA) where: Base-Base interactions energy: -2178.460 where: short stacking energy: -958.496 Base-Backbone interact. energy: 2.222 local terms energy: -937.636147 where: bonds (distance) C4'-P energy: -162.585 bonds (distance) P-C4' energy: -161.678 flat angles C4'-P-C4' energy: -203.788 flat angles P-C4'-P energy: -131.415 tors. eta vs tors. theta energy: -278.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2906.104935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.104935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.104935 (E_RNA) where: Base-Base interactions energy: -2039.905 where: short stacking energy: -842.798 Base-Backbone interact. energy: -2.002 local terms energy: -864.198451 where: bonds (distance) C4'-P energy: -155.569 bonds (distance) P-C4' energy: -175.469 flat angles C4'-P-C4' energy: -186.788 flat angles P-C4'-P energy: -118.808 tors. eta vs tors. theta energy: -227.564 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: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2854.051239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.051239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.051239 (E_RNA) where: Base-Base interactions energy: -1972.108 where: short stacking energy: -864.295 Base-Backbone interact. energy: -1.339 local terms energy: -880.604393 where: bonds (distance) C4'-P energy: -170.498 bonds (distance) P-C4' energy: -174.728 flat angles C4'-P-C4' energy: -184.013 flat angles P-C4'-P energy: -117.991 tors. eta vs tors. theta energy: -233.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2793.818716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.818716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.818716 (E_RNA) where: Base-Base interactions energy: -1945.299 where: short stacking energy: -815.952 Base-Backbone interact. energy: -4.986 local terms energy: -843.533475 where: bonds (distance) C4'-P energy: -156.990 bonds (distance) P-C4' energy: -159.816 flat angles C4'-P-C4' energy: -178.448 flat angles P-C4'-P energy: -111.131 tors. eta vs tors. theta energy: -237.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2601.438159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.438159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.438159 (E_RNA) where: Base-Base interactions energy: -1778.643 where: short stacking energy: -759.237 Base-Backbone interact. energy: -3.987 local terms energy: -818.808315 where: bonds (distance) C4'-P energy: -150.768 bonds (distance) P-C4' energy: -160.542 flat angles C4'-P-C4' energy: -177.193 flat angles P-C4'-P energy: -110.606 tors. eta vs tors. theta energy: -219.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2421.664064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.664064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.664064 (E_RNA) where: Base-Base interactions energy: -1685.807 where: short stacking energy: -710.512 Base-Backbone interact. energy: -5.363 local terms energy: -730.494227 where: bonds (distance) C4'-P energy: -145.933 bonds (distance) P-C4' energy: -136.361 flat angles C4'-P-C4' energy: -154.385 flat angles P-C4'-P energy: -99.559 tors. eta vs tors. theta energy: -194.256 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: 427 Temperature: 1.200000 Total energy: -2288.746173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.746173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.746173 (E_RNA) where: Base-Base interactions energy: -1566.886 where: short stacking energy: -651.353 Base-Backbone interact. energy: -1.413 local terms energy: -720.446395 where: bonds (distance) C4'-P energy: -130.380 bonds (distance) P-C4' energy: -157.645 flat angles C4'-P-C4' energy: -171.114 flat angles P-C4'-P energy: -82.179 tors. eta vs tors. theta energy: -179.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2002.483231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.483231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.483231 (E_RNA) where: Base-Base interactions energy: -1367.865 where: short stacking energy: -571.199 Base-Backbone interact. energy: -0.918 local terms energy: -633.700029 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -154.794 flat angles C4'-P-C4' energy: -144.609 flat angles P-C4'-P energy: -92.061 tors. eta vs tors. theta energy: -125.014 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: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1512.188853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.188853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.188853 (E_RNA) where: Base-Base interactions energy: -958.721 where: short stacking energy: -447.553 Base-Backbone interact. energy: 1.720 local terms energy: -555.187723 where: bonds (distance) C4'-P energy: -112.728 bonds (distance) P-C4' energy: -152.532 flat angles C4'-P-C4' energy: -146.177 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -63.619 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: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1171.700514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.700514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.700514 (E_RNA) where: Base-Base interactions energy: -720.580 where: short stacking energy: -354.946 Base-Backbone interact. energy: 0.630 local terms energy: -451.750462 where: bonds (distance) C4'-P energy: -111.950 bonds (distance) P-C4' energy: -109.484 flat angles C4'-P-C4' energy: -117.582 flat angles P-C4'-P energy: -88.858 tors. eta vs tors. theta energy: -23.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3087.181023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.181023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.181023 (E_RNA) where: Base-Base interactions energy: -2149.694 where: short stacking energy: -956.375 Base-Backbone interact. energy: -1.418 local terms energy: -936.069822 where: bonds (distance) C4'-P energy: -163.354 bonds (distance) P-C4' energy: -167.406 flat angles C4'-P-C4' energy: -191.935 flat angles P-C4'-P energy: -131.517 tors. eta vs tors. theta energy: -281.857 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: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2918.115796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.115796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.115796 (E_RNA) where: Base-Base interactions energy: -2033.873 where: short stacking energy: -862.831 Base-Backbone interact. energy: -1.558 local terms energy: -882.684432 where: bonds (distance) C4'-P energy: -166.917 bonds (distance) P-C4' energy: -155.505 flat angles C4'-P-C4' energy: -191.056 flat angles P-C4'-P energy: -127.557 tors. eta vs tors. theta energy: -241.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2873.491113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.491113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.491113 (E_RNA) where: Base-Base interactions energy: -2013.237 where: short stacking energy: -830.147 Base-Backbone interact. energy: 0.987 local terms energy: -861.240916 where: bonds (distance) C4'-P energy: -159.151 bonds (distance) P-C4' energy: -149.401 flat angles C4'-P-C4' energy: -179.789 flat angles P-C4'-P energy: -130.885 tors. eta vs tors. theta energy: -242.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2775.802907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.802907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.802907 (E_RNA) where: Base-Base interactions energy: -1976.741 where: short stacking energy: -826.782 Base-Backbone interact. energy: -0.150 local terms energy: -798.912033 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -133.292 flat angles C4'-P-C4' energy: -190.264 flat angles P-C4'-P energy: -100.613 tors. eta vs tors. theta energy: -233.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2614.275258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.275258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.275258 (E_RNA) where: Base-Base interactions energy: -1801.004 where: short stacking energy: -739.668 Base-Backbone interact. energy: -1.924 local terms energy: -811.346906 where: bonds (distance) C4'-P energy: -157.425 bonds (distance) P-C4' energy: -137.704 flat angles C4'-P-C4' energy: -185.233 flat angles P-C4'-P energy: -121.622 tors. eta vs tors. theta energy: -209.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2475.911086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.911086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.911086 (E_RNA) where: Base-Base interactions energy: -1722.703 where: short stacking energy: -701.518 Base-Backbone interact. energy: 0.822 local terms energy: -754.030236 where: bonds (distance) C4'-P energy: -147.748 bonds (distance) P-C4' energy: -159.380 flat angles C4'-P-C4' energy: -158.351 flat angles P-C4'-P energy: -95.067 tors. eta vs tors. theta energy: -193.484 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: 428 Temperature: 1.200000 Total energy: -2315.499739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.499739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.499739 (E_RNA) where: Base-Base interactions energy: -1577.057 where: short stacking energy: -686.312 Base-Backbone interact. energy: -2.735 local terms energy: -735.708595 where: bonds (distance) C4'-P energy: -145.389 bonds (distance) P-C4' energy: -138.429 flat angles C4'-P-C4' energy: -168.414 flat angles P-C4'-P energy: -111.457 tors. eta vs tors. theta energy: -172.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2036.402595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.402595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.402595 (E_RNA) where: Base-Base interactions energy: -1455.203 where: short stacking energy: -634.929 Base-Backbone interact. energy: 2.051 local terms energy: -583.250216 where: bonds (distance) C4'-P energy: -125.065 bonds (distance) P-C4' energy: -107.503 flat angles C4'-P-C4' energy: -143.236 flat angles P-C4'-P energy: -71.933 tors. eta vs tors. theta energy: -135.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1504.846138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.846138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.846138 (E_RNA) where: Base-Base interactions energy: -959.584 where: short stacking energy: -449.053 Base-Backbone interact. energy: 1.627 local terms energy: -546.888731 where: bonds (distance) C4'-P energy: -139.375 bonds (distance) P-C4' energy: -124.933 flat angles C4'-P-C4' energy: -133.317 flat angles P-C4'-P energy: -80.680 tors. eta vs tors. theta energy: -68.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1133.235873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.235873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.235873 (E_RNA) where: Base-Base interactions energy: -621.502 where: short stacking energy: -336.388 Base-Backbone interact. energy: 0.437 local terms energy: -512.171082 where: bonds (distance) C4'-P energy: -140.389 bonds (distance) P-C4' energy: -131.235 flat angles C4'-P-C4' energy: -125.447 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -33.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3084.296974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.296974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.296974 (E_RNA) where: Base-Base interactions energy: -2133.365 where: short stacking energy: -935.455 Base-Backbone interact. energy: -2.373 local terms energy: -948.559462 where: bonds (distance) C4'-P energy: -166.440 bonds (distance) P-C4' energy: -167.370 flat angles C4'-P-C4' energy: -194.885 flat angles P-C4'-P energy: -145.199 tors. eta vs tors. theta energy: -274.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2951.071319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.071319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.071319 (E_RNA) where: Base-Base interactions energy: -2054.785 where: short stacking energy: -870.112 Base-Backbone interact. energy: -1.772 local terms energy: -894.514380 where: bonds (distance) C4'-P energy: -175.559 bonds (distance) P-C4' energy: -159.897 flat angles C4'-P-C4' energy: -191.886 flat angles P-C4'-P energy: -126.551 tors. eta vs tors. theta energy: -240.621 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: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2862.769554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.769554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.769554 (E_RNA) where: Base-Base interactions energy: -2010.109 where: short stacking energy: -839.155 Base-Backbone interact. energy: 11.959 local terms energy: -864.619357 where: bonds (distance) C4'-P energy: -172.277 bonds (distance) P-C4' energy: -158.988 flat angles C4'-P-C4' energy: -169.652 flat angles P-C4'-P energy: -126.727 tors. eta vs tors. theta energy: -236.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2804.634665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.634665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.634665 (E_RNA) where: Base-Base interactions energy: -2006.378 where: short stacking energy: -861.687 Base-Backbone interact. energy: 4.168 local terms energy: -802.424435 where: bonds (distance) C4'-P energy: -141.225 bonds (distance) P-C4' energy: -142.379 flat angles C4'-P-C4' energy: -172.078 flat angles P-C4'-P energy: -101.203 tors. eta vs tors. theta energy: -245.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2599.598870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.598870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.598870 (E_RNA) where: Base-Base interactions energy: -1757.363 where: short stacking energy: -756.784 Base-Backbone interact. energy: -0.644 local terms energy: -841.591609 where: bonds (distance) C4'-P energy: -135.603 bonds (distance) P-C4' energy: -166.015 flat angles C4'-P-C4' energy: -175.892 flat angles P-C4'-P energy: -131.544 tors. eta vs tors. theta energy: -232.538 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: 429 Temperature: 1.150000 Total energy: -2444.140075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.140075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.140075 (E_RNA) where: Base-Base interactions energy: -1715.900 where: short stacking energy: -734.995 Base-Backbone interact. energy: -3.095 local terms energy: -725.144963 where: bonds (distance) C4'-P energy: -127.123 bonds (distance) P-C4' energy: -142.714 flat angles C4'-P-C4' energy: -163.176 flat angles P-C4'-P energy: -101.591 tors. eta vs tors. theta energy: -190.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2351.489985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.489985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.489985 (E_RNA) where: Base-Base interactions energy: -1644.442 where: short stacking energy: -701.324 Base-Backbone interact. energy: 2.096 local terms energy: -709.144017 where: bonds (distance) C4'-P energy: -129.814 bonds (distance) P-C4' energy: -134.687 flat angles C4'-P-C4' energy: -160.565 flat angles P-C4'-P energy: -100.778 tors. eta vs tors. theta energy: -183.299 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: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1961.053512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.053512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.053512 (E_RNA) where: Base-Base interactions energy: -1333.314 where: short stacking energy: -586.219 Base-Backbone interact. energy: 0.964 local terms energy: -628.703212 where: bonds (distance) C4'-P energy: -126.656 bonds (distance) P-C4' energy: -143.248 flat angles C4'-P-C4' energy: -145.706 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -124.266 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: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1533.932147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.932147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.932147 (E_RNA) where: Base-Base interactions energy: -965.504 where: short stacking energy: -440.096 Base-Backbone interact. energy: -3.222 local terms energy: -565.206254 where: bonds (distance) C4'-P energy: -144.577 bonds (distance) P-C4' energy: -133.794 flat angles C4'-P-C4' energy: -142.975 flat angles P-C4'-P energy: -70.102 tors. eta vs tors. theta energy: -73.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1096.808340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.808340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.808340 (E_RNA) where: Base-Base interactions energy: -592.377 where: short stacking energy: -303.204 Base-Backbone interact. energy: -5.233 local terms energy: -499.198284 where: bonds (distance) C4'-P energy: -136.765 bonds (distance) P-C4' energy: -141.760 flat angles C4'-P-C4' energy: -115.278 flat angles P-C4'-P energy: -76.485 tors. eta vs tors. theta energy: -28.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3092.498466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.498466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.498466 (E_RNA) where: Base-Base interactions energy: -2138.543 where: short stacking energy: -919.200 Base-Backbone interact. energy: -1.457 local terms energy: -952.498189 where: bonds (distance) C4'-P energy: -171.924 bonds (distance) P-C4' energy: -183.577 flat angles C4'-P-C4' energy: -200.457 flat angles P-C4'-P energy: -125.564 tors. eta vs tors. theta energy: -270.975 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: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2932.276181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.276181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.276181 (E_RNA) where: Base-Base interactions energy: -2054.208 where: short stacking energy: -880.737 Base-Backbone interact. energy: -3.508 local terms energy: -874.560277 where: bonds (distance) C4'-P energy: -164.725 bonds (distance) P-C4' energy: -155.960 flat angles C4'-P-C4' energy: -186.604 flat angles P-C4'-P energy: -126.957 tors. eta vs tors. theta energy: -240.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2899.843064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.843064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.843064 (E_RNA) where: Base-Base interactions energy: -2047.259 where: short stacking energy: -843.994 Base-Backbone interact. energy: -0.984 local terms energy: -851.599949 where: bonds (distance) C4'-P energy: -150.129 bonds (distance) P-C4' energy: -168.290 flat angles C4'-P-C4' energy: -181.430 flat angles P-C4'-P energy: -112.983 tors. eta vs tors. theta energy: -238.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2833.857514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.857514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.857514 (E_RNA) where: Base-Base interactions energy: -1991.370 where: short stacking energy: -837.714 Base-Backbone interact. energy: -3.841 local terms energy: -838.646764 where: bonds (distance) C4'-P energy: -140.173 bonds (distance) P-C4' energy: -171.314 flat angles C4'-P-C4' energy: -178.970 flat angles P-C4'-P energy: -121.035 tors. eta vs tors. theta energy: -227.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2594.950188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.950188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.950188 (E_RNA) where: Base-Base interactions energy: -1789.939 where: short stacking energy: -768.561 Base-Backbone interact. energy: -4.766 local terms energy: -800.245001 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -134.969 flat angles C4'-P-C4' energy: -191.228 flat angles P-C4'-P energy: -114.082 tors. eta vs tors. theta energy: -206.570 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: 430 Temperature: 1.150000 Total energy: -2495.473825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.473825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.473825 (E_RNA) where: Base-Base interactions energy: -1733.574 where: short stacking energy: -754.290 Base-Backbone interact. energy: -1.285 local terms energy: -760.614095 where: bonds (distance) C4'-P energy: -143.142 bonds (distance) P-C4' energy: -145.416 flat angles C4'-P-C4' energy: -172.324 flat angles P-C4'-P energy: -98.032 tors. eta vs tors. theta energy: -201.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2318.428980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.428980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.428980 (E_RNA) where: Base-Base interactions energy: -1609.967 where: short stacking energy: -688.261 Base-Backbone interact. energy: -2.174 local terms energy: -706.288169 where: bonds (distance) C4'-P energy: -136.265 bonds (distance) P-C4' energy: -146.485 flat angles C4'-P-C4' energy: -158.450 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -168.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1954.394349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.394349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.394349 (E_RNA) where: Base-Base interactions energy: -1379.929 where: short stacking energy: -598.862 Base-Backbone interact. energy: -3.662 local terms energy: -570.803209 where: bonds (distance) C4'-P energy: -110.909 bonds (distance) P-C4' energy: -135.036 flat angles C4'-P-C4' energy: -129.889 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -123.067 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: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1568.760338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.760338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.760338 (E_RNA) where: Base-Base interactions energy: -997.442 where: short stacking energy: -440.891 Base-Backbone interact. energy: 0.150 local terms energy: -571.468986 where: bonds (distance) C4'-P energy: -137.238 bonds (distance) P-C4' energy: -126.875 flat angles C4'-P-C4' energy: -137.538 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -68.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1108.325177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.325177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.325177 (E_RNA) where: Base-Base interactions energy: -629.706 where: short stacking energy: -339.469 Base-Backbone interact. energy: -2.425 local terms energy: -476.193800 where: bonds (distance) C4'-P energy: -110.327 bonds (distance) P-C4' energy: -125.234 flat angles C4'-P-C4' energy: -128.896 flat angles P-C4'-P energy: -78.650 tors. eta vs tors. theta energy: -33.086 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: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3097.215128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.215128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.215128 (E_RNA) where: Base-Base interactions energy: -2161.293 where: short stacking energy: -941.013 Base-Backbone interact. energy: -0.051 local terms energy: -935.870911 where: bonds (distance) C4'-P energy: -158.510 bonds (distance) P-C4' energy: -170.125 flat angles C4'-P-C4' energy: -199.647 flat angles P-C4'-P energy: -122.909 tors. eta vs tors. theta energy: -284.680 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: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2926.769351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.769351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.769351 (E_RNA) where: Base-Base interactions energy: -2036.439 where: short stacking energy: -859.567 Base-Backbone interact. energy: -3.840 local terms energy: -886.490868 where: bonds (distance) C4'-P energy: -151.047 bonds (distance) P-C4' energy: -153.598 flat angles C4'-P-C4' energy: -195.507 flat angles P-C4'-P energy: -139.145 tors. eta vs tors. theta energy: -247.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2907.360045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.360045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.360045 (E_RNA) where: Base-Base interactions energy: -2051.753 where: short stacking energy: -888.461 Base-Backbone interact. energy: 1.066 local terms energy: -856.673090 where: bonds (distance) C4'-P energy: -152.550 bonds (distance) P-C4' energy: -153.457 flat angles C4'-P-C4' energy: -184.010 flat angles P-C4'-P energy: -123.658 tors. eta vs tors. theta energy: -242.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2813.019788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.019788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.019788 (E_RNA) where: Base-Base interactions energy: -1992.887 where: short stacking energy: -840.256 Base-Backbone interact. energy: 8.788 local terms energy: -828.920529 where: bonds (distance) C4'-P energy: -129.844 bonds (distance) P-C4' energy: -149.065 flat angles C4'-P-C4' energy: -187.272 flat angles P-C4'-P energy: -126.142 tors. eta vs tors. theta energy: -236.598 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: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2533.482883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.482883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.482883 (E_RNA) where: Base-Base interactions energy: -1756.196 where: short stacking energy: -749.218 Base-Backbone interact. energy: 0.597 local terms energy: -777.884346 where: bonds (distance) C4'-P energy: -124.975 bonds (distance) P-C4' energy: -154.436 flat angles C4'-P-C4' energy: -186.985 flat angles P-C4'-P energy: -106.509 tors. eta vs tors. theta energy: -204.979 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: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2448.660281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.660281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.660281 (E_RNA) where: Base-Base interactions energy: -1692.570 where: short stacking energy: -765.890 Base-Backbone interact. energy: 0.914 local terms energy: -757.003644 where: bonds (distance) C4'-P energy: -152.969 bonds (distance) P-C4' energy: -146.153 flat angles C4'-P-C4' energy: -163.079 flat angles P-C4'-P energy: -101.246 tors. eta vs tors. theta energy: -193.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2375.187421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.187421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.187421 (E_RNA) where: Base-Base interactions energy: -1656.361 where: short stacking energy: -687.436 Base-Backbone interact. energy: -2.217 local terms energy: -716.608721 where: bonds (distance) C4'-P energy: -121.719 bonds (distance) P-C4' energy: -131.753 flat angles C4'-P-C4' energy: -178.046 flat angles P-C4'-P energy: -101.975 tors. eta vs tors. theta energy: -183.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1970.178103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.178103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.178103 (E_RNA) where: Base-Base interactions energy: -1343.173 where: short stacking energy: -585.431 Base-Backbone interact. energy: -4.000 local terms energy: -623.004309 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -162.024 flat angles C4'-P-C4' energy: -143.561 flat angles P-C4'-P energy: -72.865 tors. eta vs tors. theta energy: -118.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1617.512405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.512405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.512405 (E_RNA) where: Base-Base interactions energy: -1062.582 where: short stacking energy: -458.751 Base-Backbone interact. energy: 1.152 local terms energy: -556.082333 where: bonds (distance) C4'-P energy: -150.025 bonds (distance) P-C4' energy: -135.048 flat angles C4'-P-C4' energy: -117.140 flat angles P-C4'-P energy: -74.170 tors. eta vs tors. theta energy: -79.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1153.953455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.953455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.953455 (E_RNA) where: Base-Base interactions energy: -657.917 where: short stacking energy: -312.289 Base-Backbone interact. energy: -1.676 local terms energy: -494.361035 where: bonds (distance) C4'-P energy: -130.502 bonds (distance) P-C4' energy: -126.531 flat angles C4'-P-C4' energy: -139.413 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -25.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3116.921513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.921513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.921513 (E_RNA) where: Base-Base interactions energy: -2166.090 where: short stacking energy: -951.284 Base-Backbone interact. energy: -3.032 local terms energy: -947.799371 where: bonds (distance) C4'-P energy: -151.034 bonds (distance) P-C4' energy: -180.428 flat angles C4'-P-C4' energy: -209.974 flat angles P-C4'-P energy: -130.500 tors. eta vs tors. theta energy: -275.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2942.574907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.574907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.574907 (E_RNA) where: Base-Base interactions energy: -2060.805 where: short stacking energy: -867.500 Base-Backbone interact. energy: -4.255 local terms energy: -877.514901 where: bonds (distance) C4'-P energy: -156.482 bonds (distance) P-C4' energy: -166.551 flat angles C4'-P-C4' energy: -189.834 flat angles P-C4'-P energy: -121.620 tors. eta vs tors. theta energy: -243.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2907.075511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.075511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.075511 (E_RNA) where: Base-Base interactions energy: -2034.934 where: short stacking energy: -888.033 Base-Backbone interact. energy: -2.373 local terms energy: -869.768873 where: bonds (distance) C4'-P energy: -162.780 bonds (distance) P-C4' energy: -143.466 flat angles C4'-P-C4' energy: -191.377 flat angles P-C4'-P energy: -110.210 tors. eta vs tors. theta energy: -261.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2750.889926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.889926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.889926 (E_RNA) where: Base-Base interactions energy: -1930.060 where: short stacking energy: -809.097 Base-Backbone interact. energy: -1.220 local terms energy: -819.609859 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -150.767 flat angles C4'-P-C4' energy: -183.875 flat angles P-C4'-P energy: -125.951 tors. eta vs tors. theta energy: -221.502 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: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2524.357725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.357725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.357725 (E_RNA) where: Base-Base interactions energy: -1711.579 where: short stacking energy: -763.519 Base-Backbone interact. energy: 1.173 local terms energy: -813.951035 where: bonds (distance) C4'-P energy: -144.444 bonds (distance) P-C4' energy: -174.112 flat angles C4'-P-C4' energy: -179.198 flat angles P-C4'-P energy: -106.614 tors. eta vs tors. theta energy: -209.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2404.497751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.497751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.497751 (E_RNA) where: Base-Base interactions energy: -1615.948 where: short stacking energy: -725.842 Base-Backbone interact. energy: -0.399 local terms energy: -788.151132 where: bonds (distance) C4'-P energy: -140.272 bonds (distance) P-C4' energy: -161.098 flat angles C4'-P-C4' energy: -184.877 flat angles P-C4'-P energy: -98.805 tors. eta vs tors. theta energy: -203.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2284.746278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.746278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.746278 (E_RNA) where: Base-Base interactions energy: -1583.419 where: short stacking energy: -626.468 Base-Backbone interact. energy: 4.212 local terms energy: -705.539294 where: bonds (distance) C4'-P energy: -142.774 bonds (distance) P-C4' energy: -152.350 flat angles C4'-P-C4' energy: -163.895 flat angles P-C4'-P energy: -96.996 tors. eta vs tors. theta energy: -149.525 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: 8, replica: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1936.439173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.439173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.439173 (E_RNA) where: Base-Base interactions energy: -1302.441 where: short stacking energy: -505.322 Base-Backbone interact. energy: 1.228 local terms energy: -635.226546 where: bonds (distance) C4'-P energy: -157.222 bonds (distance) P-C4' energy: -138.497 flat angles C4'-P-C4' energy: -149.854 flat angles P-C4'-P energy: -88.873 tors. eta vs tors. theta energy: -100.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1624.619050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.619050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.619050 (E_RNA) where: Base-Base interactions energy: -1026.115 where: short stacking energy: -471.362 Base-Backbone interact. energy: -4.241 local terms energy: -594.262972 where: bonds (distance) C4'-P energy: -143.206 bonds (distance) P-C4' energy: -143.680 flat angles C4'-P-C4' energy: -152.293 flat angles P-C4'-P energy: -81.028 tors. eta vs tors. theta energy: -74.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1125.261179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.261179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.261179 (E_RNA) where: Base-Base interactions energy: -656.593 where: short stacking energy: -342.144 Base-Backbone interact. energy: -1.971 local terms energy: -466.697371 where: bonds (distance) C4'-P energy: -137.870 bonds (distance) P-C4' energy: -140.588 flat angles C4'-P-C4' energy: -118.721 flat angles P-C4'-P energy: -44.567 tors. eta vs tors. theta energy: -24.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3074.969723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.969723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.969723 (E_RNA) where: Base-Base interactions energy: -2131.324 where: short stacking energy: -927.535 Base-Backbone interact. energy: -3.760 local terms energy: -939.885813 where: bonds (distance) C4'-P energy: -174.740 bonds (distance) P-C4' energy: -173.772 flat angles C4'-P-C4' energy: -187.098 flat angles P-C4'-P energy: -134.158 tors. eta vs tors. theta energy: -270.117 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: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2993.647463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.647463 (E_RNA) where: Base-Base interactions energy: -2097.723 where: short stacking energy: -899.220 Base-Backbone interact. energy: -4.488 local terms energy: -891.436567 where: bonds (distance) C4'-P energy: -161.287 bonds (distance) P-C4' energy: -177.969 flat angles C4'-P-C4' energy: -196.683 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -258.256 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: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2881.387848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.387848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.387848 (E_RNA) where: Base-Base interactions energy: -2030.007 where: short stacking energy: -855.758 Base-Backbone interact. energy: -3.507 local terms energy: -847.873823 where: bonds (distance) C4'-P energy: -160.587 bonds (distance) P-C4' energy: -157.521 flat angles C4'-P-C4' energy: -188.176 flat angles P-C4'-P energy: -103.441 tors. eta vs tors. theta energy: -238.148 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: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2756.163785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.163785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.163785 (E_RNA) where: Base-Base interactions energy: -1928.314 where: short stacking energy: -822.594 Base-Backbone interact. energy: -3.916 local terms energy: -823.933445 where: bonds (distance) C4'-P energy: -151.823 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -178.763 flat angles P-C4'-P energy: -105.940 tors. eta vs tors. theta energy: -237.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2493.871415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.871415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.871415 (E_RNA) where: Base-Base interactions energy: -1736.874 where: short stacking energy: -764.908 Base-Backbone interact. energy: 3.051 local terms energy: -760.048335 where: bonds (distance) C4'-P energy: -149.588 bonds (distance) P-C4' energy: -133.772 flat angles C4'-P-C4' energy: -168.919 flat angles P-C4'-P energy: -102.431 tors. eta vs tors. theta energy: -205.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2420.291128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.291128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.291128 (E_RNA) where: Base-Base interactions energy: -1661.794 where: short stacking energy: -716.195 Base-Backbone interact. energy: -1.205 local terms energy: -757.291468 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -138.560 flat angles C4'-P-C4' energy: -159.822 flat angles P-C4'-P energy: -117.507 tors. eta vs tors. theta energy: -187.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2314.991495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.991495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.991495 (E_RNA) where: Base-Base interactions energy: -1624.694 where: short stacking energy: -683.574 Base-Backbone interact. energy: -2.069 local terms energy: -688.228120 where: bonds (distance) C4'-P energy: -108.291 bonds (distance) P-C4' energy: -137.587 flat angles C4'-P-C4' energy: -165.656 flat angles P-C4'-P energy: -93.363 tors. eta vs tors. theta energy: -183.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1923.862703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.862703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.862703 (E_RNA) where: Base-Base interactions energy: -1283.363 where: short stacking energy: -557.054 Base-Backbone interact. energy: 3.258 local terms energy: -643.757916 where: bonds (distance) C4'-P energy: -129.100 bonds (distance) P-C4' energy: -136.516 flat angles C4'-P-C4' energy: -161.824 flat angles P-C4'-P energy: -87.034 tors. eta vs tors. theta energy: -129.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1615.680239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.680239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.680239 (E_RNA) where: Base-Base interactions energy: -1046.297 where: short stacking energy: -447.340 Base-Backbone interact. energy: 1.521 local terms energy: -570.904359 where: bonds (distance) C4'-P energy: -120.711 bonds (distance) P-C4' energy: -158.981 flat angles C4'-P-C4' energy: -145.640 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -74.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1079.929212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.929212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.929212 (E_RNA) where: Base-Base interactions energy: -610.953 where: short stacking energy: -288.843 Base-Backbone interact. energy: 2.096 local terms energy: -471.071919 where: bonds (distance) C4'-P energy: -130.810 bonds (distance) P-C4' energy: -134.255 flat angles C4'-P-C4' energy: -126.797 flat angles P-C4'-P energy: -60.819 tors. eta vs tors. theta energy: -18.391 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: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3029.655100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.655100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.655100 (E_RNA) where: Base-Base interactions energy: -2120.674 where: short stacking energy: -861.503 Base-Backbone interact. energy: -0.925 local terms energy: -908.056093 where: bonds (distance) C4'-P energy: -170.613 bonds (distance) P-C4' energy: -168.819 flat angles C4'-P-C4' energy: -178.769 flat angles P-C4'-P energy: -133.834 tors. eta vs tors. theta energy: -256.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3016.585414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.585414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.585414 (E_RNA) where: Base-Base interactions energy: -2125.713 where: short stacking energy: -924.181 Base-Backbone interact. energy: -1.367 local terms energy: -889.505588 where: bonds (distance) C4'-P energy: -151.583 bonds (distance) P-C4' energy: -159.537 flat angles C4'-P-C4' energy: -186.202 flat angles P-C4'-P energy: -123.976 tors. eta vs tors. theta energy: -268.206 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: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2890.135606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.135606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.135606 (E_RNA) where: Base-Base interactions energy: -2026.787 where: short stacking energy: -848.544 Base-Backbone interact. energy: -3.540 local terms energy: -859.808499 where: bonds (distance) C4'-P energy: -159.494 bonds (distance) P-C4' energy: -153.146 flat angles C4'-P-C4' energy: -176.838 flat angles P-C4'-P energy: -137.940 tors. eta vs tors. theta energy: -232.389 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: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2771.025985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.025985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.025985 (E_RNA) where: Base-Base interactions energy: -1940.301 where: short stacking energy: -803.076 Base-Backbone interact. energy: -5.373 local terms energy: -825.351963 where: bonds (distance) C4'-P energy: -141.969 bonds (distance) P-C4' energy: -160.448 flat angles C4'-P-C4' energy: -179.228 flat angles P-C4'-P energy: -109.849 tors. eta vs tors. theta energy: -233.857 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: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2446.780272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.780272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.780272 (E_RNA) where: Base-Base interactions energy: -1685.344 where: short stacking energy: -721.858 Base-Backbone interact. energy: -2.516 local terms energy: -758.919937 where: bonds (distance) C4'-P energy: -128.656 bonds (distance) P-C4' energy: -160.176 flat angles C4'-P-C4' energy: -179.914 flat angles P-C4'-P energy: -90.631 tors. eta vs tors. theta energy: -199.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2394.310017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.310017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.310017 (E_RNA) where: Base-Base interactions energy: -1675.524 where: short stacking energy: -689.996 Base-Backbone interact. energy: -3.762 local terms energy: -715.023676 where: bonds (distance) C4'-P energy: -112.538 bonds (distance) P-C4' energy: -157.060 flat angles C4'-P-C4' energy: -155.502 flat angles P-C4'-P energy: -101.696 tors. eta vs tors. theta energy: -188.227 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: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2320.802727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.802727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.802727 (E_RNA) where: Base-Base interactions energy: -1605.888 where: short stacking energy: -657.793 Base-Backbone interact. energy: 0.248 local terms energy: -715.163311 where: bonds (distance) C4'-P energy: -142.405 bonds (distance) P-C4' energy: -146.915 flat angles C4'-P-C4' energy: -143.545 flat angles P-C4'-P energy: -104.244 tors. eta vs tors. theta energy: -178.054 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: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1919.294039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.294039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.294039 (E_RNA) where: Base-Base interactions energy: -1303.919 where: short stacking energy: -571.308 Base-Backbone interact. energy: -1.508 local terms energy: -613.866840 where: bonds (distance) C4'-P energy: -106.637 bonds (distance) P-C4' energy: -146.299 flat angles C4'-P-C4' energy: -158.496 flat angles P-C4'-P energy: -90.110 tors. eta vs tors. theta energy: -112.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1582.731425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.731425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.731425 (E_RNA) where: Base-Base interactions energy: -1023.635 where: short stacking energy: -470.211 Base-Backbone interact. energy: -0.938 local terms energy: -558.158778 where: bonds (distance) C4'-P energy: -97.115 bonds (distance) P-C4' energy: -155.791 flat angles C4'-P-C4' energy: -138.085 flat angles P-C4'-P energy: -76.752 tors. eta vs tors. theta energy: -90.417 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: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1060.921180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.921180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.921180 (E_RNA) where: Base-Base interactions energy: -625.072 where: short stacking energy: -337.357 Base-Backbone interact. energy: 5.161 local terms energy: -441.009805 where: bonds (distance) C4'-P energy: -120.212 bonds (distance) P-C4' energy: -139.310 flat angles C4'-P-C4' energy: -71.822 flat angles P-C4'-P energy: -76.484 tors. eta vs tors. theta energy: -33.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3033.024856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.024856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.024856 (E_RNA) where: Base-Base interactions energy: -2106.687 where: short stacking energy: -891.565 Base-Backbone interact. energy: -2.250 local terms energy: -924.087788 where: bonds (distance) C4'-P energy: -173.108 bonds (distance) P-C4' energy: -162.952 flat angles C4'-P-C4' energy: -192.119 flat angles P-C4'-P energy: -133.734 tors. eta vs tors. theta energy: -262.175 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: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3014.051314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.051314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.051314 (E_RNA) where: Base-Base interactions energy: -2086.001 where: short stacking energy: -888.857 Base-Backbone interact. energy: -2.170 local terms energy: -925.880565 where: bonds (distance) C4'-P energy: -148.517 bonds (distance) P-C4' energy: -184.024 flat angles C4'-P-C4' energy: -193.103 flat angles P-C4'-P energy: -134.018 tors. eta vs tors. theta energy: -266.219 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: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2875.179689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.179689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.179689 (E_RNA) where: Base-Base interactions energy: -2012.928 where: short stacking energy: -859.393 Base-Backbone interact. energy: -3.485 local terms energy: -858.766977 where: bonds (distance) C4'-P energy: -150.938 bonds (distance) P-C4' energy: -161.104 flat angles C4'-P-C4' energy: -183.268 flat angles P-C4'-P energy: -134.674 tors. eta vs tors. theta energy: -228.783 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: 435 Temperature: 1.050000 Total energy: -2760.522209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.522209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.522209 (E_RNA) where: Base-Base interactions energy: -1944.220 where: short stacking energy: -820.833 Base-Backbone interact. energy: -1.829 local terms energy: -814.473132 where: bonds (distance) C4'-P energy: -137.813 bonds (distance) P-C4' energy: -135.310 flat angles C4'-P-C4' energy: -178.117 flat angles P-C4'-P energy: -129.555 tors. eta vs tors. theta energy: -233.678 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: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2525.551218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.551218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.551218 (E_RNA) where: Base-Base interactions energy: -1718.217 where: short stacking energy: -769.041 Base-Backbone interact. energy: 0.457 local terms energy: -807.791148 where: bonds (distance) C4'-P energy: -156.914 bonds (distance) P-C4' energy: -139.408 flat angles C4'-P-C4' energy: -181.670 flat angles P-C4'-P energy: -123.973 tors. eta vs tors. theta energy: -205.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2416.706606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.706606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.706606 (E_RNA) where: Base-Base interactions energy: -1695.858 where: short stacking energy: -712.103 Base-Backbone interact. energy: -5.212 local terms energy: -715.636342 where: bonds (distance) C4'-P energy: -148.110 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -144.570 flat angles P-C4'-P energy: -103.507 tors. eta vs tors. theta energy: -185.770 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: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2356.522015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.522015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.522015 (E_RNA) where: Base-Base interactions energy: -1610.068 where: short stacking energy: -701.378 Base-Backbone interact. energy: 1.371 local terms energy: -747.824516 where: bonds (distance) C4'-P energy: -146.295 bonds (distance) P-C4' energy: -141.316 flat angles C4'-P-C4' energy: -174.380 flat angles P-C4'-P energy: -101.827 tors. eta vs tors. theta energy: -184.007 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: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1970.993313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.993313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.993313 (E_RNA) where: Base-Base interactions energy: -1314.664 where: short stacking energy: -543.324 Base-Backbone interact. energy: -2.480 local terms energy: -653.849272 where: bonds (distance) C4'-P energy: -144.574 bonds (distance) P-C4' energy: -137.105 flat angles C4'-P-C4' energy: -148.276 flat angles P-C4'-P energy: -102.721 tors. eta vs tors. theta energy: -121.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1539.219385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.219385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.219385 (E_RNA) where: Base-Base interactions energy: -972.559 where: short stacking energy: -464.254 Base-Backbone interact. energy: -1.517 local terms energy: -565.143555 where: bonds (distance) C4'-P energy: -107.252 bonds (distance) P-C4' energy: -165.664 flat angles C4'-P-C4' energy: -131.539 flat angles P-C4'-P energy: -81.144 tors. eta vs tors. theta energy: -79.544 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: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1074.363491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.363491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.363491 (E_RNA) where: Base-Base interactions energy: -594.455 where: short stacking energy: -314.160 Base-Backbone interact. energy: 5.370 local terms energy: -485.278119 where: bonds (distance) C4'-P energy: -130.740 bonds (distance) P-C4' energy: -133.660 flat angles C4'-P-C4' energy: -154.656 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3066.795036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.795036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.795036 (E_RNA) where: Base-Base interactions energy: -2133.941 where: short stacking energy: -913.771 Base-Backbone interact. energy: -4.646 local terms energy: -928.208349 where: bonds (distance) C4'-P energy: -163.098 bonds (distance) P-C4' energy: -155.324 flat angles C4'-P-C4' energy: -202.694 flat angles P-C4'-P energy: -136.425 tors. eta vs tors. theta energy: -270.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3007.047435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.047435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.047435 (E_RNA) where: Base-Base interactions energy: -2104.649 where: short stacking energy: -889.169 Base-Backbone interact. energy: -3.869 local terms energy: -898.530001 where: bonds (distance) C4'-P energy: -160.585 bonds (distance) P-C4' energy: -170.879 flat angles C4'-P-C4' energy: -198.857 flat angles P-C4'-P energy: -122.156 tors. eta vs tors. theta energy: -246.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2868.539046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.539046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.539046 (E_RNA) where: Base-Base interactions energy: -2016.256 where: short stacking energy: -838.083 Base-Backbone interact. energy: -1.306 local terms energy: -850.977288 where: bonds (distance) C4'-P energy: -162.966 bonds (distance) P-C4' energy: -174.341 flat angles C4'-P-C4' energy: -175.574 flat angles P-C4'-P energy: -117.368 tors. eta vs tors. theta energy: -220.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2737.705108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.705108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.705108 (E_RNA) where: Base-Base interactions energy: -1895.986 where: short stacking energy: -807.684 Base-Backbone interact. energy: -1.254 local terms energy: -840.465353 where: bonds (distance) C4'-P energy: -149.401 bonds (distance) P-C4' energy: -156.778 flat angles C4'-P-C4' energy: -180.064 flat angles P-C4'-P energy: -125.994 tors. eta vs tors. theta energy: -228.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2551.165473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.165473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.165473 (E_RNA) where: Base-Base interactions energy: -1747.334 where: short stacking energy: -774.078 Base-Backbone interact. energy: -3.425 local terms energy: -800.405584 where: bonds (distance) C4'-P energy: -146.097 bonds (distance) P-C4' energy: -156.351 flat angles C4'-P-C4' energy: -169.160 flat angles P-C4'-P energy: -118.766 tors. eta vs tors. theta energy: -210.030 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: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2417.200923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.200923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.200923 (E_RNA) where: Base-Base interactions energy: -1656.374 where: short stacking energy: -709.361 Base-Backbone interact. energy: -1.932 local terms energy: -758.894817 where: bonds (distance) C4'-P energy: -146.349 bonds (distance) P-C4' energy: -148.133 flat angles C4'-P-C4' energy: -182.110 flat angles P-C4'-P energy: -86.875 tors. eta vs tors. theta energy: -195.428 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: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2315.354126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.354126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.354126 (E_RNA) where: Base-Base interactions energy: -1588.411 where: short stacking energy: -703.399 Base-Backbone interact. energy: -0.386 local terms energy: -726.556956 where: bonds (distance) C4'-P energy: -140.446 bonds (distance) P-C4' energy: -159.578 flat angles C4'-P-C4' energy: -146.714 flat angles P-C4'-P energy: -84.079 tors. eta vs tors. theta energy: -195.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1975.268838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.268838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.268838 (E_RNA) where: Base-Base interactions energy: -1336.660 where: short stacking energy: -554.753 Base-Backbone interact. energy: -2.355 local terms energy: -636.253501 where: bonds (distance) C4'-P energy: -117.914 bonds (distance) P-C4' energy: -146.237 flat angles C4'-P-C4' energy: -146.907 flat angles P-C4'-P energy: -95.131 tors. eta vs tors. theta energy: -130.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1550.850865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.850865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.850865 (E_RNA) where: Base-Base interactions energy: -1013.776 where: short stacking energy: -475.592 Base-Backbone interact. energy: 1.914 local terms energy: -538.988848 where: bonds (distance) C4'-P energy: -130.368 bonds (distance) P-C4' energy: -126.682 flat angles C4'-P-C4' energy: -136.136 flat angles P-C4'-P energy: -84.155 tors. eta vs tors. theta energy: -61.648 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: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1047.740806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.740806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.740806 (E_RNA) where: Base-Base interactions energy: -585.710 where: short stacking energy: -300.420 Base-Backbone interact. energy: 0.426 local terms energy: -462.457122 where: bonds (distance) C4'-P energy: -131.333 bonds (distance) P-C4' energy: -134.452 flat angles C4'-P-C4' energy: -120.616 flat angles P-C4'-P energy: -70.146 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3058.026767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.026767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.026767 (E_RNA) where: Base-Base interactions energy: -2126.376 where: short stacking energy: -887.343 Base-Backbone interact. energy: -2.383 local terms energy: -929.267061 where: bonds (distance) C4'-P energy: -175.203 bonds (distance) P-C4' energy: -168.075 flat angles C4'-P-C4' energy: -202.441 flat angles P-C4'-P energy: -129.848 tors. eta vs tors. theta energy: -253.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2953.156025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.156025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.156025 (E_RNA) where: Base-Base interactions energy: -2072.612 where: short stacking energy: -854.079 Base-Backbone interact. energy: -6.689 local terms energy: -873.855584 where: bonds (distance) C4'-P energy: -159.152 bonds (distance) P-C4' energy: -156.187 flat angles C4'-P-C4' energy: -193.856 flat angles P-C4'-P energy: -120.167 tors. eta vs tors. theta energy: -244.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2858.041350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.041350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.041350 (E_RNA) where: Base-Base interactions energy: -1991.191 where: short stacking energy: -846.905 Base-Backbone interact. energy: -0.079 local terms energy: -866.771043 where: bonds (distance) C4'-P energy: -156.401 bonds (distance) P-C4' energy: -180.380 flat angles C4'-P-C4' energy: -177.498 flat angles P-C4'-P energy: -113.486 tors. eta vs tors. theta energy: -239.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2782.064278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.064278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.064278 (E_RNA) where: Base-Base interactions energy: -1917.037 where: short stacking energy: -824.053 Base-Backbone interact. energy: -0.943 local terms energy: -864.084062 where: bonds (distance) C4'-P energy: -154.356 bonds (distance) P-C4' energy: -162.305 flat angles C4'-P-C4' energy: -194.810 flat angles P-C4'-P energy: -118.126 tors. eta vs tors. theta energy: -234.488 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: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2532.072848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.072848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.072848 (E_RNA) where: Base-Base interactions energy: -1759.525 where: short stacking energy: -752.904 Base-Backbone interact. energy: -1.602 local terms energy: -770.946229 where: bonds (distance) C4'-P energy: -140.214 bonds (distance) P-C4' energy: -165.359 flat angles C4'-P-C4' energy: -156.088 flat angles P-C4'-P energy: -99.927 tors. eta vs tors. theta energy: -209.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2392.721522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.721522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.721522 (E_RNA) where: Base-Base interactions energy: -1644.158 where: short stacking energy: -700.970 Base-Backbone interact. energy: -3.179 local terms energy: -745.383770 where: bonds (distance) C4'-P energy: -143.633 bonds (distance) P-C4' energy: -150.738 flat angles C4'-P-C4' energy: -147.354 flat angles P-C4'-P energy: -111.286 tors. eta vs tors. theta energy: -192.372 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: 437 Temperature: 1.200000 Total energy: -2250.567139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.567139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.567139 (E_RNA) where: Base-Base interactions energy: -1576.502 where: short stacking energy: -643.100 Base-Backbone interact. energy: 1.917 local terms energy: -675.982419 where: bonds (distance) C4'-P energy: -140.957 bonds (distance) P-C4' energy: -133.877 flat angles C4'-P-C4' energy: -150.174 flat angles P-C4'-P energy: -102.173 tors. eta vs tors. theta energy: -148.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1934.674459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.674459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.674459 (E_RNA) where: Base-Base interactions energy: -1277.350 where: short stacking energy: -569.933 Base-Backbone interact. energy: 0.690 local terms energy: -658.014445 where: bonds (distance) C4'-P energy: -153.097 bonds (distance) P-C4' energy: -134.724 flat angles C4'-P-C4' energy: -152.473 flat angles P-C4'-P energy: -93.534 tors. eta vs tors. theta energy: -124.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1540.068568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.068568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.068568 (E_RNA) where: Base-Base interactions energy: -989.583 where: short stacking energy: -472.619 Base-Backbone interact. energy: 1.326 local terms energy: -551.810917 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -142.043 flat angles C4'-P-C4' energy: -136.253 flat angles P-C4'-P energy: -75.654 tors. eta vs tors. theta energy: -62.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1038.983322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.983322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.983322 (E_RNA) where: Base-Base interactions energy: -577.407 where: short stacking energy: -279.023 Base-Backbone interact. energy: 12.394 local terms energy: -473.970859 where: bonds (distance) C4'-P energy: -130.746 bonds (distance) P-C4' energy: -158.976 flat angles C4'-P-C4' energy: -127.017 flat angles P-C4'-P energy: -61.036 tors. eta vs tors. theta energy: 3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3087.184222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.184222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.184222 (E_RNA) where: Base-Base interactions energy: -2156.153 where: short stacking energy: -932.134 Base-Backbone interact. energy: -2.187 local terms energy: -928.843813 where: bonds (distance) C4'-P energy: -166.967 bonds (distance) P-C4' energy: -166.123 flat angles C4'-P-C4' energy: -196.141 flat angles P-C4'-P energy: -127.924 tors. eta vs tors. theta energy: -271.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2911.858854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.858854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.858854 (E_RNA) where: Base-Base interactions energy: -2045.812 where: short stacking energy: -861.204 Base-Backbone interact. energy: -2.757 local terms energy: -863.289812 where: bonds (distance) C4'-P energy: -157.874 bonds (distance) P-C4' energy: -147.896 flat angles C4'-P-C4' energy: -183.372 flat angles P-C4'-P energy: -127.660 tors. eta vs tors. theta energy: -246.487 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: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2860.076450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.076450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.076450 (E_RNA) where: Base-Base interactions energy: -2000.213 where: short stacking energy: -846.445 Base-Backbone interact. energy: -2.352 local terms energy: -857.511636 where: bonds (distance) C4'-P energy: -162.738 bonds (distance) P-C4' energy: -161.122 flat angles C4'-P-C4' energy: -180.501 flat angles P-C4'-P energy: -126.076 tors. eta vs tors. theta energy: -227.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2736.697778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.697778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.697778 (E_RNA) where: Base-Base interactions energy: -1910.596 where: short stacking energy: -796.732 Base-Backbone interact. energy: -0.921 local terms energy: -825.180579 where: bonds (distance) C4'-P energy: -142.486 bonds (distance) P-C4' energy: -142.146 flat angles C4'-P-C4' energy: -175.659 flat angles P-C4'-P energy: -130.436 tors. eta vs tors. theta energy: -234.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2521.391421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.391421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.391421 (E_RNA) where: Base-Base interactions energy: -1727.274 where: short stacking energy: -774.103 Base-Backbone interact. energy: -2.154 local terms energy: -791.963148 where: bonds (distance) C4'-P energy: -150.579 bonds (distance) P-C4' energy: -139.418 flat angles C4'-P-C4' energy: -182.496 flat angles P-C4'-P energy: -114.116 tors. eta vs tors. theta energy: -205.353 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: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2477.618714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.618714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.618714 (E_RNA) where: Base-Base interactions energy: -1735.009 where: short stacking energy: -749.598 Base-Backbone interact. energy: -1.674 local terms energy: -740.935699 where: bonds (distance) C4'-P energy: -129.885 bonds (distance) P-C4' energy: -149.055 flat angles C4'-P-C4' energy: -165.891 flat angles P-C4'-P energy: -90.905 tors. eta vs tors. theta energy: -205.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2232.120565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.120565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.120565 (E_RNA) where: Base-Base interactions energy: -1554.838 where: short stacking energy: -649.864 Base-Backbone interact. energy: -1.888 local terms energy: -675.394470 where: bonds (distance) C4'-P energy: -131.567 bonds (distance) P-C4' energy: -165.643 flat angles C4'-P-C4' energy: -154.959 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -147.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1955.849077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.849077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.849077 (E_RNA) where: Base-Base interactions energy: -1349.845 where: short stacking energy: -579.591 Base-Backbone interact. energy: -0.672 local terms energy: -605.331680 where: bonds (distance) C4'-P energy: -123.289 bonds (distance) P-C4' energy: -150.763 flat angles C4'-P-C4' energy: -136.267 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -100.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1617.939783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.939783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.939783 (E_RNA) where: Base-Base interactions energy: -1046.189 where: short stacking energy: -478.149 Base-Backbone interact. energy: 1.105 local terms energy: -572.855922 where: bonds (distance) C4'-P energy: -140.843 bonds (distance) P-C4' energy: -145.654 flat angles C4'-P-C4' energy: -148.512 flat angles P-C4'-P energy: -59.922 tors. eta vs tors. theta energy: -77.926 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: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1053.284614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.284614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.284614 (E_RNA) where: Base-Base interactions energy: -614.645 where: short stacking energy: -321.954 Base-Backbone interact. energy: -2.660 local terms energy: -435.979899 where: bonds (distance) C4'-P energy: -108.744 bonds (distance) P-C4' energy: -124.935 flat angles C4'-P-C4' energy: -130.280 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -22.652 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: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3076.948260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.948260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.948260 (E_RNA) where: Base-Base interactions energy: -2118.777 where: short stacking energy: -923.185 Base-Backbone interact. energy: -3.973 local terms energy: -954.198047 where: bonds (distance) C4'-P energy: -172.522 bonds (distance) P-C4' energy: -167.433 flat angles C4'-P-C4' energy: -202.882 flat angles P-C4'-P energy: -139.336 tors. eta vs tors. theta energy: -272.024 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: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2910.223879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.223879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.223879 (E_RNA) where: Base-Base interactions energy: -2029.193 where: short stacking energy: -844.931 Base-Backbone interact. energy: 2.303 local terms energy: -883.334131 where: bonds (distance) C4'-P energy: -162.426 bonds (distance) P-C4' energy: -169.818 flat angles C4'-P-C4' energy: -196.845 flat angles P-C4'-P energy: -113.110 tors. eta vs tors. theta energy: -241.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2848.538247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.538247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.538247 (E_RNA) where: Base-Base interactions energy: -1975.220 where: short stacking energy: -854.014 Base-Backbone interact. energy: -5.013 local terms energy: -868.304996 where: bonds (distance) C4'-P energy: -158.686 bonds (distance) P-C4' energy: -157.438 flat angles C4'-P-C4' energy: -188.094 flat angles P-C4'-P energy: -122.941 tors. eta vs tors. theta energy: -241.146 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: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2763.333350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.333350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.333350 (E_RNA) where: Base-Base interactions energy: -1938.417 where: short stacking energy: -823.226 Base-Backbone interact. energy: 6.346 local terms energy: -831.262213 where: bonds (distance) C4'-P energy: -140.353 bonds (distance) P-C4' energy: -153.510 flat angles C4'-P-C4' energy: -187.793 flat angles P-C4'-P energy: -112.439 tors. eta vs tors. theta energy: -237.167 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: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2472.483743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.483743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.483743 (E_RNA) where: Base-Base interactions energy: -1704.437 where: short stacking energy: -757.008 Base-Backbone interact. energy: -2.701 local terms energy: -765.346109 where: bonds (distance) C4'-P energy: -142.785 bonds (distance) P-C4' energy: -156.142 flat angles C4'-P-C4' energy: -170.452 flat angles P-C4'-P energy: -99.848 tors. eta vs tors. theta energy: -196.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2392.056743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.056743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.056743 (E_RNA) where: Base-Base interactions energy: -1664.974 where: short stacking energy: -711.201 Base-Backbone interact. energy: -0.946 local terms energy: -726.137032 where: bonds (distance) C4'-P energy: -139.350 bonds (distance) P-C4' energy: -140.293 flat angles C4'-P-C4' energy: -158.700 flat angles P-C4'-P energy: -103.556 tors. eta vs tors. theta energy: -184.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2216.490337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.490337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.490337 (E_RNA) where: Base-Base interactions energy: -1514.899 where: short stacking energy: -645.575 Base-Backbone interact. energy: -3.872 local terms energy: -697.719323 where: bonds (distance) C4'-P energy: -151.865 bonds (distance) P-C4' energy: -130.851 flat angles C4'-P-C4' energy: -165.200 flat angles P-C4'-P energy: -85.179 tors. eta vs tors. theta energy: -164.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1936.018568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.018568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.018568 (E_RNA) where: Base-Base interactions energy: -1287.857 where: short stacking energy: -548.908 Base-Backbone interact. energy: -0.724 local terms energy: -647.438136 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -150.283 flat angles P-C4'-P energy: -91.025 tors. eta vs tors. theta energy: -110.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1559.954434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.954434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.954434 (E_RNA) where: Base-Base interactions energy: -1027.004 where: short stacking energy: -442.857 Base-Backbone interact. energy: -2.374 local terms energy: -530.576789 where: bonds (distance) C4'-P energy: -130.964 bonds (distance) P-C4' energy: -112.745 flat angles C4'-P-C4' energy: -122.648 flat angles P-C4'-P energy: -90.939 tors. eta vs tors. theta energy: -73.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -975.760284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.760284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.760284 (E_RNA) where: Base-Base interactions energy: -552.843 where: short stacking energy: -279.565 Base-Backbone interact. energy: -2.195 local terms energy: -420.722702 where: bonds (distance) C4'-P energy: -123.562 bonds (distance) P-C4' energy: -120.428 flat angles C4'-P-C4' energy: -105.507 flat angles P-C4'-P energy: -74.797 tors. eta vs tors. theta energy: 3.572 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: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3101.573753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.573753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.573753 (E_RNA) where: Base-Base interactions energy: -2162.672 where: short stacking energy: -928.996 Base-Backbone interact. energy: -1.714 local terms energy: -937.188055 where: bonds (distance) C4'-P energy: -167.917 bonds (distance) P-C4' energy: -176.025 flat angles C4'-P-C4' energy: -194.628 flat angles P-C4'-P energy: -135.098 tors. eta vs tors. theta energy: -263.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2959.053420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.053420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.053420 (E_RNA) where: Base-Base interactions energy: -2076.237 where: short stacking energy: -900.720 Base-Backbone interact. energy: -2.771 local terms energy: -880.046124 where: bonds (distance) C4'-P energy: -163.088 bonds (distance) P-C4' energy: -164.461 flat angles C4'-P-C4' energy: -183.857 flat angles P-C4'-P energy: -122.912 tors. eta vs tors. theta energy: -245.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2840.647183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.647183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.647183 (E_RNA) where: Base-Base interactions energy: -1989.255 where: short stacking energy: -845.865 Base-Backbone interact. energy: -2.664 local terms energy: -848.728902 where: bonds (distance) C4'-P energy: -156.922 bonds (distance) P-C4' energy: -151.246 flat angles C4'-P-C4' energy: -179.428 flat angles P-C4'-P energy: -112.670 tors. eta vs tors. theta energy: -248.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2739.505100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.505100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.505100 (E_RNA) where: Base-Base interactions energy: -1898.734 where: short stacking energy: -807.913 Base-Backbone interact. energy: -6.555 local terms energy: -834.216762 where: bonds (distance) C4'-P energy: -153.413 bonds (distance) P-C4' energy: -156.790 flat angles C4'-P-C4' energy: -180.318 flat angles P-C4'-P energy: -116.627 tors. eta vs tors. theta energy: -227.069 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: 5, replica: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2534.811532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.811532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.811532 (E_RNA) where: Base-Base interactions energy: -1757.107 where: short stacking energy: -778.429 Base-Backbone interact. energy: -1.798 local terms energy: -775.906874 where: bonds (distance) C4'-P energy: -146.450 bonds (distance) P-C4' energy: -168.404 flat angles C4'-P-C4' energy: -162.699 flat angles P-C4'-P energy: -103.137 tors. eta vs tors. theta energy: -195.217 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: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2412.414966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.414966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.414966 (E_RNA) where: Base-Base interactions energy: -1647.890 where: short stacking energy: -755.432 Base-Backbone interact. energy: -1.259 local terms energy: -763.266016 where: bonds (distance) C4'-P energy: -141.461 bonds (distance) P-C4' energy: -139.864 flat angles C4'-P-C4' energy: -173.465 flat angles P-C4'-P energy: -113.235 tors. eta vs tors. theta energy: -195.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2197.760445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.760445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.760445 (E_RNA) where: Base-Base interactions energy: -1471.653 where: short stacking energy: -628.040 Base-Backbone interact. energy: -1.389 local terms energy: -724.717795 where: bonds (distance) C4'-P energy: -155.816 bonds (distance) P-C4' energy: -152.956 flat angles C4'-P-C4' energy: -158.752 flat angles P-C4'-P energy: -92.060 tors. eta vs tors. theta energy: -165.134 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: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1925.542234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.542234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.542234 (E_RNA) where: Base-Base interactions energy: -1332.091 where: short stacking energy: -582.986 Base-Backbone interact. energy: 4.364 local terms energy: -597.814828 where: bonds (distance) C4'-P energy: -112.634 bonds (distance) P-C4' energy: -130.682 flat angles C4'-P-C4' energy: -116.832 flat angles P-C4'-P energy: -106.770 tors. eta vs tors. theta energy: -130.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1533.371877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.371877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.371877 (E_RNA) where: Base-Base interactions energy: -1048.956 where: short stacking energy: -457.759 Base-Backbone interact. energy: -5.017 local terms energy: -479.399402 where: bonds (distance) C4'-P energy: -110.095 bonds (distance) P-C4' energy: -123.394 flat angles C4'-P-C4' energy: -130.990 flat angles P-C4'-P energy: -62.231 tors. eta vs tors. theta energy: -52.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -984.677416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.677416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.677416 (E_RNA) where: Base-Base interactions energy: -571.138 where: short stacking energy: -336.700 Base-Backbone interact. energy: 1.982 local terms energy: -415.521517 where: bonds (distance) C4'-P energy: -111.958 bonds (distance) P-C4' energy: -111.525 flat angles C4'-P-C4' energy: -109.711 flat angles P-C4'-P energy: -68.006 tors. eta vs tors. theta energy: -14.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3106.376820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.376820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.376820 (E_RNA) where: Base-Base interactions energy: -2162.491 where: short stacking energy: -938.162 Base-Backbone interact. energy: -4.135 local terms energy: -939.750892 where: bonds (distance) C4'-P energy: -162.005 bonds (distance) P-C4' energy: -171.346 flat angles C4'-P-C4' energy: -200.024 flat angles P-C4'-P energy: -131.439 tors. eta vs tors. theta energy: -274.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2954.667824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.667824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.667824 (E_RNA) where: Base-Base interactions energy: -2044.788 where: short stacking energy: -865.050 Base-Backbone interact. energy: -8.880 local terms energy: -900.999606 where: bonds (distance) C4'-P energy: -161.880 bonds (distance) P-C4' energy: -178.147 flat angles C4'-P-C4' energy: -189.086 flat angles P-C4'-P energy: -131.029 tors. eta vs tors. theta energy: -240.858 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: 3, replica: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2815.623470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.623470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.623470 (E_RNA) where: Base-Base interactions energy: -1982.072 where: short stacking energy: -822.616 Base-Backbone interact. energy: -5.541 local terms energy: -828.010520 where: bonds (distance) C4'-P energy: -144.883 bonds (distance) P-C4' energy: -153.648 flat angles C4'-P-C4' energy: -190.799 flat angles P-C4'-P energy: -114.351 tors. eta vs tors. theta energy: -224.330 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: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2772.728897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.728897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.728897 (E_RNA) where: Base-Base interactions energy: -1911.301 where: short stacking energy: -816.661 Base-Backbone interact. energy: -3.944 local terms energy: -857.483331 where: bonds (distance) C4'-P energy: -150.472 bonds (distance) P-C4' energy: -161.325 flat angles C4'-P-C4' energy: -180.201 flat angles P-C4'-P energy: -115.709 tors. eta vs tors. theta energy: -249.776 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: 5 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2500.090625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.090625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.090625 (E_RNA) where: Base-Base interactions energy: -1667.367 where: short stacking energy: -727.889 Base-Backbone interact. energy: -1.637 local terms energy: -831.086690 where: bonds (distance) C4'-P energy: -163.444 bonds (distance) P-C4' energy: -151.850 flat angles C4'-P-C4' energy: -182.833 flat angles P-C4'-P energy: -130.512 tors. eta vs tors. theta energy: -202.448 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: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2384.610726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.610726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.610726 (E_RNA) where: Base-Base interactions energy: -1599.748 where: short stacking energy: -689.349 Base-Backbone interact. energy: -2.231 local terms energy: -782.631147 where: bonds (distance) C4'-P energy: -160.015 bonds (distance) P-C4' energy: -153.716 flat angles C4'-P-C4' energy: -163.772 flat angles P-C4'-P energy: -113.599 tors. eta vs tors. theta energy: -191.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2196.441789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.441789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.441789 (E_RNA) where: Base-Base interactions energy: -1497.655 where: short stacking energy: -633.795 Base-Backbone interact. energy: -0.976 local terms energy: -697.810959 where: bonds (distance) C4'-P energy: -141.974 bonds (distance) P-C4' energy: -145.448 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -98.920 tors. eta vs tors. theta energy: -164.572 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: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1930.430926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.430926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.430926 (E_RNA) where: Base-Base interactions energy: -1316.845 where: short stacking energy: -561.062 Base-Backbone interact. energy: 1.707 local terms energy: -615.293263 where: bonds (distance) C4'-P energy: -147.122 bonds (distance) P-C4' energy: -139.021 flat angles C4'-P-C4' energy: -149.502 flat angles P-C4'-P energy: -89.208 tors. eta vs tors. theta energy: -90.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1550.287081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.287081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.287081 (E_RNA) where: Base-Base interactions energy: -955.105 where: short stacking energy: -422.715 Base-Backbone interact. energy: 3.599 local terms energy: -598.780862 where: bonds (distance) C4'-P energy: -151.906 bonds (distance) P-C4' energy: -130.045 flat angles C4'-P-C4' energy: -142.882 flat angles P-C4'-P energy: -109.053 tors. eta vs tors. theta energy: -64.896 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: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1002.155566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.155566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.155566 (E_RNA) where: Base-Base interactions energy: -536.857 where: short stacking energy: -255.066 Base-Backbone interact. energy: -0.232 local terms energy: -465.066139 where: bonds (distance) C4'-P energy: -130.853 bonds (distance) P-C4' energy: -126.899 flat angles C4'-P-C4' energy: -126.826 flat angles P-C4'-P energy: -79.528 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3121.479254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.479254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.479254 (E_RNA) where: Base-Base interactions energy: -2178.276 where: short stacking energy: -939.711 Base-Backbone interact. energy: -3.451 local terms energy: -939.753066 where: bonds (distance) C4'-P energy: -168.611 bonds (distance) P-C4' energy: -163.536 flat angles C4'-P-C4' energy: -202.342 flat angles P-C4'-P energy: -118.162 tors. eta vs tors. theta energy: -287.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2937.434683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.434683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.434683 (E_RNA) where: Base-Base interactions energy: -2040.939 where: short stacking energy: -864.504 Base-Backbone interact. energy: -4.492 local terms energy: -892.004092 where: bonds (distance) C4'-P energy: -172.620 bonds (distance) P-C4' energy: -173.957 flat angles C4'-P-C4' energy: -180.952 flat angles P-C4'-P energy: -119.283 tors. eta vs tors. theta energy: -245.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2836.507334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.507334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.507334 (E_RNA) where: Base-Base interactions energy: -1979.142 where: short stacking energy: -838.409 Base-Backbone interact. energy: -4.338 local terms energy: -853.026394 where: bonds (distance) C4'-P energy: -165.683 bonds (distance) P-C4' energy: -160.887 flat angles C4'-P-C4' energy: -184.295 flat angles P-C4'-P energy: -109.553 tors. eta vs tors. theta energy: -232.608 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: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2744.203297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.203297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.203297 (E_RNA) where: Base-Base interactions energy: -1935.628 where: short stacking energy: -823.261 Base-Backbone interact. energy: 5.758 local terms energy: -814.332633 where: bonds (distance) C4'-P energy: -135.838 bonds (distance) P-C4' energy: -135.261 flat angles C4'-P-C4' energy: -182.365 flat angles P-C4'-P energy: -124.005 tors. eta vs tors. theta energy: -236.863 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: 5, replica: 5 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2543.553551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.553551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.553551 (E_RNA) where: Base-Base interactions energy: -1776.498 where: short stacking energy: -794.471 Base-Backbone interact. energy: -1.115 local terms energy: -765.940887 where: bonds (distance) C4'-P energy: -142.075 bonds (distance) P-C4' energy: -132.717 flat angles C4'-P-C4' energy: -178.521 flat angles P-C4'-P energy: -110.599 tors. eta vs tors. theta energy: -202.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2369.739393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.739393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.739393 (E_RNA) where: Base-Base interactions energy: -1637.406 where: short stacking energy: -677.756 Base-Backbone interact. energy: -0.751 local terms energy: -731.582886 where: bonds (distance) C4'-P energy: -141.650 bonds (distance) P-C4' energy: -166.136 flat angles C4'-P-C4' energy: -173.894 flat angles P-C4'-P energy: -85.231 tors. eta vs tors. theta energy: -164.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2225.051499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.051499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.051499 (E_RNA) where: Base-Base interactions energy: -1543.551 where: short stacking energy: -663.438 Base-Backbone interact. energy: -2.012 local terms energy: -679.488507 where: bonds (distance) C4'-P energy: -123.261 bonds (distance) P-C4' energy: -148.648 flat angles C4'-P-C4' energy: -164.027 flat angles P-C4'-P energy: -86.381 tors. eta vs tors. theta energy: -157.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1969.816620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.816620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.816620 (E_RNA) where: Base-Base interactions energy: -1322.820 where: short stacking energy: -568.723 Base-Backbone interact. energy: 0.398 local terms energy: -647.394568 where: bonds (distance) C4'-P energy: -146.172 bonds (distance) P-C4' energy: -144.426 flat angles C4'-P-C4' energy: -138.321 flat angles P-C4'-P energy: -90.427 tors. eta vs tors. theta energy: -128.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1458.520847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.520847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.520847 (E_RNA) where: Base-Base interactions energy: -890.954 where: short stacking energy: -409.394 Base-Backbone interact. energy: 1.772 local terms energy: -569.339472 where: bonds (distance) C4'-P energy: -152.683 bonds (distance) P-C4' energy: -159.978 flat angles C4'-P-C4' energy: -124.554 flat angles P-C4'-P energy: -78.424 tors. eta vs tors. theta energy: -53.701 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: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -994.978272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.978272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.978272 (E_RNA) where: Base-Base interactions energy: -512.701 where: short stacking energy: -293.763 Base-Backbone interact. energy: -2.009 local terms energy: -480.268511 where: bonds (distance) C4'-P energy: -118.509 bonds (distance) P-C4' energy: -139.116 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -88.152 tors. eta vs tors. theta energy: -15.782 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: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3128.879167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.879167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.879167 (E_RNA) where: Base-Base interactions energy: -2195.269 where: short stacking energy: -971.791 Base-Backbone interact. energy: -1.247 local terms energy: -932.363795 where: bonds (distance) C4'-P energy: -165.113 bonds (distance) P-C4' energy: -177.367 flat angles C4'-P-C4' energy: -185.571 flat angles P-C4'-P energy: -124.363 tors. eta vs tors. theta energy: -279.950 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: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2945.616576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.616576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.616576 (E_RNA) where: Base-Base interactions energy: -2057.007 where: short stacking energy: -905.621 Base-Backbone interact. energy: -1.434 local terms energy: -887.175437 where: bonds (distance) C4'-P energy: -150.006 bonds (distance) P-C4' energy: -172.418 flat angles C4'-P-C4' energy: -177.085 flat angles P-C4'-P energy: -123.399 tors. eta vs tors. theta energy: -264.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2844.910290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.910290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.910290 (E_RNA) where: Base-Base interactions energy: -1987.974 where: short stacking energy: -802.105 Base-Backbone interact. energy: -3.734 local terms energy: -853.201933 where: bonds (distance) C4'-P energy: -154.181 bonds (distance) P-C4' energy: -152.608 flat angles C4'-P-C4' energy: -192.968 flat angles P-C4'-P energy: -130.888 tors. eta vs tors. theta energy: -222.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2726.878105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.878105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.878105 (E_RNA) where: Base-Base interactions energy: -1899.138 where: short stacking energy: -801.511 Base-Backbone interact. energy: -0.643 local terms energy: -827.096481 where: bonds (distance) C4'-P energy: -145.168 bonds (distance) P-C4' energy: -160.571 flat angles C4'-P-C4' energy: -186.434 flat angles P-C4'-P energy: -108.549 tors. eta vs tors. theta energy: -226.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2494.444951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.444951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.444951 (E_RNA) where: Base-Base interactions energy: -1723.186 where: short stacking energy: -734.523 Base-Backbone interact. energy: -2.640 local terms energy: -768.618281 where: bonds (distance) C4'-P energy: -148.418 bonds (distance) P-C4' energy: -155.172 flat angles C4'-P-C4' energy: -163.073 flat angles P-C4'-P energy: -98.543 tors. eta vs tors. theta energy: -203.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2375.918247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.918247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.918247 (E_RNA) where: Base-Base interactions energy: -1648.345 where: short stacking energy: -717.111 Base-Backbone interact. energy: 0.786 local terms energy: -728.359371 where: bonds (distance) C4'-P energy: -143.808 bonds (distance) P-C4' energy: -141.832 flat angles C4'-P-C4' energy: -162.672 flat angles P-C4'-P energy: -98.315 tors. eta vs tors. theta energy: -181.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2299.359852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.359852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.359852 (E_RNA) where: Base-Base interactions energy: -1581.170 where: short stacking energy: -694.200 Base-Backbone interact. energy: -0.661 local terms energy: -717.528511 where: bonds (distance) C4'-P energy: -136.595 bonds (distance) P-C4' energy: -141.135 flat angles C4'-P-C4' energy: -163.289 flat angles P-C4'-P energy: -99.833 tors. eta vs tors. theta energy: -176.677 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: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1940.729804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.729804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.729804 (E_RNA) where: Base-Base interactions energy: -1292.716 where: short stacking energy: -525.187 Base-Backbone interact. energy: -3.704 local terms energy: -644.309344 where: bonds (distance) C4'-P energy: -152.328 bonds (distance) P-C4' energy: -134.658 flat angles C4'-P-C4' energy: -158.378 flat angles P-C4'-P energy: -91.805 tors. eta vs tors. theta energy: -107.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1449.167186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.167186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.167186 (E_RNA) where: Base-Base interactions energy: -902.771 where: short stacking energy: -410.520 Base-Backbone interact. energy: -5.402 local terms energy: -540.994391 where: bonds (distance) C4'-P energy: -117.983 bonds (distance) P-C4' energy: -137.766 flat angles C4'-P-C4' energy: -140.753 flat angles P-C4'-P energy: -96.658 tors. eta vs tors. theta energy: -47.834 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: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -996.886893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.886893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.886893 (E_RNA) where: Base-Base interactions energy: -505.672 where: short stacking energy: -254.094 Base-Backbone interact. energy: 0.819 local terms energy: -492.033386 where: bonds (distance) C4'-P energy: -141.349 bonds (distance) P-C4' energy: -147.235 flat angles C4'-P-C4' energy: -115.394 flat angles P-C4'-P energy: -72.633 tors. eta vs tors. theta energy: -15.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3118.283901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.283901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.283901 (E_RNA) where: Base-Base interactions energy: -2172.899 where: short stacking energy: -925.902 Base-Backbone interact. energy: -4.489 local terms energy: -940.896198 where: bonds (distance) C4'-P energy: -171.899 bonds (distance) P-C4' energy: -183.004 flat angles C4'-P-C4' energy: -189.029 flat angles P-C4'-P energy: -122.341 tors. eta vs tors. theta energy: -274.623 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: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2972.415606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.415606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.415606 (E_RNA) where: Base-Base interactions energy: -2069.594 where: short stacking energy: -884.869 Base-Backbone interact. energy: -1.403 local terms energy: -901.417942 where: bonds (distance) C4'-P energy: -163.437 bonds (distance) P-C4' energy: -172.856 flat angles C4'-P-C4' energy: -180.130 flat angles P-C4'-P energy: -128.704 tors. eta vs tors. theta energy: -256.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2844.048729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.048729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.048729 (E_RNA) where: Base-Base interactions energy: -1991.536 where: short stacking energy: -826.352 Base-Backbone interact. energy: -2.890 local terms energy: -849.622874 where: bonds (distance) C4'-P energy: -169.377 bonds (distance) P-C4' energy: -154.118 flat angles C4'-P-C4' energy: -178.725 flat angles P-C4'-P energy: -103.486 tors. eta vs tors. theta energy: -243.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2732.438260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.438260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.438260 (E_RNA) where: Base-Base interactions energy: -1894.926 where: short stacking energy: -816.222 Base-Backbone interact. energy: 2.230 local terms energy: -839.742285 where: bonds (distance) C4'-P energy: -150.350 bonds (distance) P-C4' energy: -154.706 flat angles C4'-P-C4' energy: -178.606 flat angles P-C4'-P energy: -124.367 tors. eta vs tors. theta energy: -231.713 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: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2407.230999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.230999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.230999 (E_RNA) where: Base-Base interactions energy: -1652.340 where: short stacking energy: -708.857 Base-Backbone interact. energy: -4.003 local terms energy: -750.887561 where: bonds (distance) C4'-P energy: -131.684 bonds (distance) P-C4' energy: -157.447 flat angles C4'-P-C4' energy: -159.839 flat angles P-C4'-P energy: -112.832 tors. eta vs tors. theta energy: -189.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2392.600044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.600044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.600044 (E_RNA) where: Base-Base interactions energy: -1673.880 where: short stacking energy: -698.537 Base-Backbone interact. energy: -0.698 local terms energy: -718.022570 where: bonds (distance) C4'-P energy: -130.805 bonds (distance) P-C4' energy: -142.210 flat angles C4'-P-C4' energy: -169.688 flat angles P-C4'-P energy: -91.959 tors. eta vs tors. theta energy: -183.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2291.318292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.318292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.318292 (E_RNA) where: Base-Base interactions energy: -1583.076 where: short stacking energy: -687.380 Base-Backbone interact. energy: -1.508 local terms energy: -706.734266 where: bonds (distance) C4'-P energy: -121.582 bonds (distance) P-C4' energy: -137.045 flat angles C4'-P-C4' energy: -147.854 flat angles P-C4'-P energy: -114.604 tors. eta vs tors. theta energy: -185.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1898.240197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.240197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.240197 (E_RNA) where: Base-Base interactions energy: -1267.016 where: short stacking energy: -538.916 Base-Backbone interact. energy: -1.166 local terms energy: -630.057961 where: bonds (distance) C4'-P energy: -142.151 bonds (distance) P-C4' energy: -149.831 flat angles C4'-P-C4' energy: -128.587 flat angles P-C4'-P energy: -100.399 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: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1473.838340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.838340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.838340 (E_RNA) where: Base-Base interactions energy: -914.837 where: short stacking energy: -417.649 Base-Backbone interact. energy: -3.740 local terms energy: -555.261220 where: bonds (distance) C4'-P energy: -127.609 bonds (distance) P-C4' energy: -156.243 flat angles C4'-P-C4' energy: -132.707 flat angles P-C4'-P energy: -72.562 tors. eta vs tors. theta energy: -66.141 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: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -981.318587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.318587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.318587 (E_RNA) where: Base-Base interactions energy: -520.322 where: short stacking energy: -266.469 Base-Backbone interact. energy: -0.295 local terms energy: -460.702226 where: bonds (distance) C4'-P energy: -138.152 bonds (distance) P-C4' energy: -144.824 flat angles C4'-P-C4' energy: -110.390 flat angles P-C4'-P energy: -57.872 tors. eta vs tors. theta energy: -9.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3115.890061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.890061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.890061 (E_RNA) where: Base-Base interactions energy: -2190.409 where: short stacking energy: -949.997 Base-Backbone interact. energy: -2.448 local terms energy: -923.032855 where: bonds (distance) C4'-P energy: -153.690 bonds (distance) P-C4' energy: -171.128 flat angles C4'-P-C4' energy: -198.514 flat angles P-C4'-P energy: -126.216 tors. eta vs tors. theta energy: -273.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2950.555193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.555193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.555193 (E_RNA) where: Base-Base interactions energy: -2081.307 where: short stacking energy: -879.559 Base-Backbone interact. energy: -4.022 local terms energy: -865.226219 where: bonds (distance) C4'-P energy: -152.868 bonds (distance) P-C4' energy: -154.809 flat angles C4'-P-C4' energy: -195.326 flat angles P-C4'-P energy: -111.670 tors. eta vs tors. theta energy: -250.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2830.543435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.543435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.543435 (E_RNA) where: Base-Base interactions energy: -1973.599 where: short stacking energy: -820.907 Base-Backbone interact. energy: -1.873 local terms energy: -855.071294 where: bonds (distance) C4'-P energy: -171.130 bonds (distance) P-C4' energy: -146.324 flat angles C4'-P-C4' energy: -186.063 flat angles P-C4'-P energy: -121.527 tors. eta vs tors. theta energy: -230.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2749.662400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.662400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.662400 (E_RNA) where: Base-Base interactions energy: -1908.220 where: short stacking energy: -832.218 Base-Backbone interact. energy: -3.230 local terms energy: -838.213103 where: bonds (distance) C4'-P energy: -147.622 bonds (distance) P-C4' energy: -158.290 flat angles C4'-P-C4' energy: -188.184 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -239.610 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: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2406.802762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.802762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.802762 (E_RNA) where: Base-Base interactions energy: -1667.543 where: short stacking energy: -709.031 Base-Backbone interact. energy: -3.685 local terms energy: -735.574694 where: bonds (distance) C4'-P energy: -135.615 bonds (distance) P-C4' energy: -159.477 flat angles C4'-P-C4' energy: -160.137 flat angles P-C4'-P energy: -97.399 tors. eta vs tors. theta energy: -182.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2402.786943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.786943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.786943 (E_RNA) where: Base-Base interactions energy: -1634.271 where: short stacking energy: -704.093 Base-Backbone interact. energy: -3.763 local terms energy: -764.752648 where: bonds (distance) C4'-P energy: -136.375 bonds (distance) P-C4' energy: -137.138 flat angles C4'-P-C4' energy: -183.203 flat angles P-C4'-P energy: -103.128 tors. eta vs tors. theta energy: -204.909 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: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2312.128650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.128650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.128650 (E_RNA) where: Base-Base interactions energy: -1597.896 where: short stacking energy: -677.282 Base-Backbone interact. energy: 0.043 local terms energy: -714.276244 where: bonds (distance) C4'-P energy: -126.922 bonds (distance) P-C4' energy: -143.845 flat angles C4'-P-C4' energy: -161.350 flat angles P-C4'-P energy: -101.367 tors. eta vs tors. theta energy: -180.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1907.706303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.706303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.706303 (E_RNA) where: Base-Base interactions energy: -1286.456 where: short stacking energy: -541.633 Base-Backbone interact. energy: -0.370 local terms energy: -620.880179 where: bonds (distance) C4'-P energy: -125.259 bonds (distance) P-C4' energy: -156.643 flat angles C4'-P-C4' energy: -151.350 flat angles P-C4'-P energy: -86.759 tors. eta vs tors. theta energy: -100.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1500.954026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.954026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.954026 (E_RNA) where: Base-Base interactions energy: -958.506 where: short stacking energy: -435.789 Base-Backbone interact. energy: -1.790 local terms energy: -540.657837 where: bonds (distance) C4'-P energy: -139.156 bonds (distance) P-C4' energy: -132.142 flat angles C4'-P-C4' energy: -134.510 flat angles P-C4'-P energy: -78.097 tors. eta vs tors. theta energy: -56.753 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: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -991.708580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.708580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.708580 (E_RNA) where: Base-Base interactions energy: -527.276 where: short stacking energy: -298.317 Base-Backbone interact. energy: 1.108 local terms energy: -465.540584 where: bonds (distance) C4'-P energy: -138.639 bonds (distance) P-C4' energy: -117.914 flat angles C4'-P-C4' energy: -125.629 flat angles P-C4'-P energy: -58.811 tors. eta vs tors. theta energy: -24.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3132.286335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.286335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.286335 (E_RNA) where: Base-Base interactions energy: -2187.490 where: short stacking energy: -947.309 Base-Backbone interact. energy: -2.639 local terms energy: -942.157509 where: bonds (distance) C4'-P energy: -166.598 bonds (distance) P-C4' energy: -173.898 flat angles C4'-P-C4' energy: -202.893 flat angles P-C4'-P energy: -121.743 tors. eta vs tors. theta energy: -277.025 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: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2942.657697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.657697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.657697 (E_RNA) where: Base-Base interactions energy: -2043.137 where: short stacking energy: -847.631 Base-Backbone interact. energy: -6.478 local terms energy: -893.042452 where: bonds (distance) C4'-P energy: -171.927 bonds (distance) P-C4' energy: -158.600 flat angles C4'-P-C4' energy: -189.929 flat angles P-C4'-P energy: -118.886 tors. eta vs tors. theta energy: -253.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2843.997784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.997784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.997784 (E_RNA) where: Base-Base interactions energy: -1977.481 where: short stacking energy: -879.005 Base-Backbone interact. energy: -2.600 local terms energy: -863.915967 where: bonds (distance) C4'-P energy: -141.720 bonds (distance) P-C4' energy: -158.626 flat angles C4'-P-C4' energy: -187.326 flat angles P-C4'-P energy: -134.930 tors. eta vs tors. theta energy: -241.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2826.742324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.742324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.742324 (E_RNA) where: Base-Base interactions energy: -1971.451 where: short stacking energy: -827.035 Base-Backbone interact. energy: -4.615 local terms energy: -850.676805 where: bonds (distance) C4'-P energy: -142.380 bonds (distance) P-C4' energy: -159.757 flat angles C4'-P-C4' energy: -192.268 flat angles P-C4'-P energy: -120.881 tors. eta vs tors. theta energy: -235.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2519.038594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.038594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.038594 (E_RNA) where: Base-Base interactions energy: -1739.723 where: short stacking energy: -743.061 Base-Backbone interact. energy: -2.754 local terms energy: -776.562101 where: bonds (distance) C4'-P energy: -128.387 bonds (distance) P-C4' energy: -158.041 flat angles C4'-P-C4' energy: -186.239 flat angles P-C4'-P energy: -105.952 tors. eta vs tors. theta energy: -197.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2393.546062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.546062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.546062 (E_RNA) where: Base-Base interactions energy: -1646.083 where: short stacking energy: -712.227 Base-Backbone interact. energy: 2.363 local terms energy: -749.825500 where: bonds (distance) C4'-P energy: -125.998 bonds (distance) P-C4' energy: -165.972 flat angles C4'-P-C4' energy: -171.157 flat angles P-C4'-P energy: -103.502 tors. eta vs tors. theta energy: -183.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2334.842881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.842881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.842881 (E_RNA) where: Base-Base interactions energy: -1623.146 where: short stacking energy: -702.608 Base-Backbone interact. energy: -6.246 local terms energy: -705.450530 where: bonds (distance) C4'-P energy: -132.000 bonds (distance) P-C4' energy: -129.221 flat angles C4'-P-C4' energy: -156.777 flat angles P-C4'-P energy: -110.784 tors. eta vs tors. theta energy: -176.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2043.077133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.077133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.077133 (E_RNA) where: Base-Base interactions energy: -1376.389 where: short stacking energy: -584.389 Base-Backbone interact. energy: -0.338 local terms energy: -666.349730 where: bonds (distance) C4'-P energy: -121.558 bonds (distance) P-C4' energy: -143.748 flat angles C4'-P-C4' energy: -160.792 flat angles P-C4'-P energy: -109.871 tors. eta vs tors. theta energy: -130.380 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: 446 Temperature: 1.300000 Total energy: -1556.083974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.083974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.083974 (E_RNA) where: Base-Base interactions energy: -970.582 where: short stacking energy: -440.672 Base-Backbone interact. energy: 0.178 local terms energy: -585.680438 where: bonds (distance) C4'-P energy: -130.005 bonds (distance) P-C4' energy: -179.311 flat angles C4'-P-C4' energy: -136.373 flat angles P-C4'-P energy: -77.510 tors. eta vs tors. theta energy: -62.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -990.604880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.604880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.604880 (E_RNA) where: Base-Base interactions energy: -547.083 where: short stacking energy: -279.085 Base-Backbone interact. energy: -1.349 local terms energy: -442.173009 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -136.721 flat angles C4'-P-C4' energy: -137.219 flat angles P-C4'-P energy: -60.217 tors. eta vs tors. theta energy: 7.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3093.002440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.002440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.002440 (E_RNA) where: Base-Base interactions energy: -2146.999 where: short stacking energy: -935.191 Base-Backbone interact. energy: -4.100 local terms energy: -941.903548 where: bonds (distance) C4'-P energy: -165.530 bonds (distance) P-C4' energy: -167.736 flat angles C4'-P-C4' energy: -198.002 flat angles P-C4'-P energy: -135.394 tors. eta vs tors. theta energy: -275.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2975.047798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.047798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.047798 (E_RNA) where: Base-Base interactions energy: -2089.641 where: short stacking energy: -879.241 Base-Backbone interact. energy: 0.450 local terms energy: -885.857287 where: bonds (distance) C4'-P energy: -150.505 bonds (distance) P-C4' energy: -167.391 flat angles C4'-P-C4' energy: -188.332 flat angles P-C4'-P energy: -125.369 tors. eta vs tors. theta energy: -254.260 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: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2823.463136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.463136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.463136 (E_RNA) where: Base-Base interactions energy: -1981.080 where: short stacking energy: -839.073 Base-Backbone interact. energy: -4.659 local terms energy: -837.724167 where: bonds (distance) C4'-P energy: -147.210 bonds (distance) P-C4' energy: -152.197 flat angles C4'-P-C4' energy: -175.000 flat angles P-C4'-P energy: -127.288 tors. eta vs tors. theta energy: -236.029 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: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2765.205307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.205307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.205307 (E_RNA) where: Base-Base interactions energy: -1922.480 where: short stacking energy: -797.571 Base-Backbone interact. energy: -6.496 local terms energy: -836.229619 where: bonds (distance) C4'-P energy: -153.986 bonds (distance) P-C4' energy: -167.966 flat angles C4'-P-C4' energy: -175.574 flat angles P-C4'-P energy: -106.734 tors. eta vs tors. theta energy: -231.969 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: 447 Temperature: 1.100000 Total energy: -2498.317222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.317222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.317222 (E_RNA) where: Base-Base interactions energy: -1721.965 where: short stacking energy: -741.059 Base-Backbone interact. energy: -3.140 local terms energy: -773.212244 where: bonds (distance) C4'-P energy: -146.800 bonds (distance) P-C4' energy: -141.043 flat angles C4'-P-C4' energy: -180.111 flat angles P-C4'-P energy: -105.646 tors. eta vs tors. theta energy: -199.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2389.296747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.296747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.296747 (E_RNA) where: Base-Base interactions energy: -1625.187 where: short stacking energy: -683.498 Base-Backbone interact. energy: 1.469 local terms energy: -765.578700 where: bonds (distance) C4'-P energy: -157.887 bonds (distance) P-C4' energy: -139.031 flat angles C4'-P-C4' energy: -178.852 flat angles P-C4'-P energy: -97.094 tors. eta vs tors. theta energy: -192.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2262.255857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.255857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.255857 (E_RNA) where: Base-Base interactions energy: -1555.518 where: short stacking energy: -663.217 Base-Backbone interact. energy: 2.855 local terms energy: -709.592964 where: bonds (distance) C4'-P energy: -146.145 bonds (distance) P-C4' energy: -149.506 flat angles C4'-P-C4' energy: -158.692 flat angles P-C4'-P energy: -90.417 tors. eta vs tors. theta energy: -164.833 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: 8, replica: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1989.484218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.484218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.484218 (E_RNA) where: Base-Base interactions energy: -1357.142 where: short stacking energy: -573.737 Base-Backbone interact. energy: -0.532 local terms energy: -631.810326 where: bonds (distance) C4'-P energy: -129.166 bonds (distance) P-C4' energy: -146.471 flat angles C4'-P-C4' energy: -124.292 flat angles P-C4'-P energy: -102.894 tors. eta vs tors. theta energy: -128.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1512.151506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.151506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.151506 (E_RNA) where: Base-Base interactions energy: -944.545 where: short stacking energy: -418.675 Base-Backbone interact. energy: -0.738 local terms energy: -566.868946 where: bonds (distance) C4'-P energy: -121.483 bonds (distance) P-C4' energy: -160.969 flat angles C4'-P-C4' energy: -139.106 flat angles P-C4'-P energy: -85.132 tors. eta vs tors. theta energy: -60.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -948.025148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.025148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.025148 (E_RNA) where: Base-Base interactions energy: -515.903 where: short stacking energy: -277.618 Base-Backbone interact. energy: 7.991 local terms energy: -440.112699 where: bonds (distance) C4'-P energy: -126.970 bonds (distance) P-C4' energy: -129.390 flat angles C4'-P-C4' energy: -109.987 flat angles P-C4'-P energy: -82.394 tors. eta vs tors. theta energy: 8.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3109.893421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.893421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.893421 (E_RNA) where: Base-Base interactions energy: -2160.504 where: short stacking energy: -949.704 Base-Backbone interact. energy: -3.844 local terms energy: -945.545607 where: bonds (distance) C4'-P energy: -173.564 bonds (distance) P-C4' energy: -163.622 flat angles C4'-P-C4' energy: -189.945 flat angles P-C4'-P energy: -137.401 tors. eta vs tors. theta energy: -281.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2952.454859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.454859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.454859 (E_RNA) where: Base-Base interactions energy: -2091.490 where: short stacking energy: -875.754 Base-Backbone interact. energy: -4.330 local terms energy: -856.635026 where: bonds (distance) C4'-P energy: -162.695 bonds (distance) P-C4' energy: -151.428 flat angles C4'-P-C4' energy: -188.419 flat angles P-C4'-P energy: -105.744 tors. eta vs tors. theta energy: -248.349 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: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2832.958376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.958376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.958376 (E_RNA) where: Base-Base interactions energy: -1955.973 where: short stacking energy: -818.308 Base-Backbone interact. energy: 2.896 local terms energy: -879.881166 where: bonds (distance) C4'-P energy: -167.752 bonds (distance) P-C4' energy: -170.370 flat angles C4'-P-C4' energy: -198.487 flat angles P-C4'-P energy: -116.286 tors. eta vs tors. theta energy: -226.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2752.794921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.794921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.794921 (E_RNA) where: Base-Base interactions energy: -1951.488 where: short stacking energy: -794.494 Base-Backbone interact. energy: -6.328 local terms energy: -794.979207 where: bonds (distance) C4'-P energy: -141.132 bonds (distance) P-C4' energy: -135.920 flat angles C4'-P-C4' energy: -180.246 flat angles P-C4'-P energy: -119.285 tors. eta vs tors. theta energy: -218.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2489.917988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.917988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.917988 (E_RNA) where: Base-Base interactions energy: -1719.646 where: short stacking energy: -707.306 Base-Backbone interact. energy: -3.724 local terms energy: -766.547864 where: bonds (distance) C4'-P energy: -151.758 bonds (distance) P-C4' energy: -157.523 flat angles C4'-P-C4' energy: -162.547 flat angles P-C4'-P energy: -118.840 tors. eta vs tors. theta energy: -175.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2407.801853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.801853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.801853 (E_RNA) where: Base-Base interactions energy: -1683.961 where: short stacking energy: -742.925 Base-Backbone interact. energy: -4.050 local terms energy: -719.790689 where: bonds (distance) C4'-P energy: -123.896 bonds (distance) P-C4' energy: -123.642 flat angles C4'-P-C4' energy: -169.569 flat angles P-C4'-P energy: -94.237 tors. eta vs tors. theta energy: -208.447 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: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2266.382481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.382481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.382481 (E_RNA) where: Base-Base interactions energy: -1566.473 where: short stacking energy: -639.933 Base-Backbone interact. energy: -1.465 local terms energy: -698.444697 where: bonds (distance) C4'-P energy: -154.469 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -146.781 flat angles P-C4'-P energy: -94.483 tors. eta vs tors. theta energy: -157.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1919.233737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.233737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.233737 (E_RNA) where: Base-Base interactions energy: -1302.560 where: short stacking energy: -535.922 Base-Backbone interact. energy: -0.655 local terms energy: -616.018761 where: bonds (distance) C4'-P energy: -131.236 bonds (distance) P-C4' energy: -139.926 flat angles C4'-P-C4' energy: -151.081 flat angles P-C4'-P energy: -84.685 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: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1479.418630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.418630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.418630 (E_RNA) where: Base-Base interactions energy: -924.611 where: short stacking energy: -427.781 Base-Backbone interact. energy: 5.110 local terms energy: -559.917753 where: bonds (distance) C4'-P energy: -115.408 bonds (distance) P-C4' energy: -128.913 flat angles C4'-P-C4' energy: -156.896 flat angles P-C4'-P energy: -76.785 tors. eta vs tors. theta energy: -81.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -910.637244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.637244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.637244 (E_RNA) where: Base-Base interactions energy: -474.881 where: short stacking energy: -270.663 Base-Backbone interact. energy: 7.505 local terms energy: -443.260818 where: bonds (distance) C4'-P energy: -129.314 bonds (distance) P-C4' energy: -117.816 flat angles C4'-P-C4' energy: -113.342 flat angles P-C4'-P energy: -75.640 tors. eta vs tors. theta energy: -7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3117.560932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.560932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.560932 (E_RNA) where: Base-Base interactions energy: -2170.762 where: short stacking energy: -950.302 Base-Backbone interact. energy: 2.877 local terms energy: -949.675277 where: bonds (distance) C4'-P energy: -162.308 bonds (distance) P-C4' energy: -173.359 flat angles C4'-P-C4' energy: -196.596 flat angles P-C4'-P energy: -138.334 tors. eta vs tors. theta energy: -279.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2948.126431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.126431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.126431 (E_RNA) where: Base-Base interactions energy: -2046.362 where: short stacking energy: -850.049 Base-Backbone interact. energy: -4.502 local terms energy: -897.262685 where: bonds (distance) C4'-P energy: -169.031 bonds (distance) P-C4' energy: -158.640 flat angles C4'-P-C4' energy: -192.042 flat angles P-C4'-P energy: -128.642 tors. eta vs tors. theta energy: -248.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2778.982729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.982729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.982729 (E_RNA) where: Base-Base interactions energy: -1941.748 where: short stacking energy: -819.320 Base-Backbone interact. energy: -1.893 local terms energy: -835.342713 where: bonds (distance) C4'-P energy: -153.798 bonds (distance) P-C4' energy: -162.797 flat angles C4'-P-C4' energy: -175.517 flat angles P-C4'-P energy: -122.339 tors. eta vs tors. theta energy: -220.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2815.553042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.553042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.553042 (E_RNA) where: Base-Base interactions energy: -1965.855 where: short stacking energy: -825.518 Base-Backbone interact. energy: -1.904 local terms energy: -847.794179 where: bonds (distance) C4'-P energy: -156.622 bonds (distance) P-C4' energy: -149.707 flat angles C4'-P-C4' energy: -183.557 flat angles P-C4'-P energy: -126.566 tors. eta vs tors. theta energy: -231.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2488.421350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.421350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.421350 (E_RNA) where: Base-Base interactions energy: -1699.909 where: short stacking energy: -726.100 Base-Backbone interact. energy: -1.642 local terms energy: -786.870378 where: bonds (distance) C4'-P energy: -158.332 bonds (distance) P-C4' energy: -149.108 flat angles C4'-P-C4' energy: -162.831 flat angles P-C4'-P energy: -123.849 tors. eta vs tors. theta energy: -192.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2432.805276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.805276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.805276 (E_RNA) where: Base-Base interactions energy: -1676.651 where: short stacking energy: -734.081 Base-Backbone interact. energy: -0.966 local terms energy: -755.188648 where: bonds (distance) C4'-P energy: -152.728 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -173.031 flat angles P-C4'-P energy: -118.749 tors. eta vs tors. theta energy: -182.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2212.271318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.271318 (E_RNA) where: Base-Base interactions energy: -1519.831 where: short stacking energy: -668.462 Base-Backbone interact. energy: 6.065 local terms energy: -698.505487 where: bonds (distance) C4'-P energy: -130.413 bonds (distance) P-C4' energy: -158.365 flat angles C4'-P-C4' energy: -140.359 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -167.591 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: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1950.501901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.501901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.501901 (E_RNA) where: Base-Base interactions energy: -1328.683 where: short stacking energy: -542.591 Base-Backbone interact. energy: -3.631 local terms energy: -618.187977 where: bonds (distance) C4'-P energy: -140.625 bonds (distance) P-C4' energy: -153.310 flat angles C4'-P-C4' energy: -136.864 flat angles P-C4'-P energy: -74.694 tors. eta vs tors. theta energy: -112.694 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: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1491.427713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.427713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.427713 (E_RNA) where: Base-Base interactions energy: -922.880 where: short stacking energy: -442.672 Base-Backbone interact. energy: 2.656 local terms energy: -571.203599 where: bonds (distance) C4'-P energy: -143.641 bonds (distance) P-C4' energy: -122.161 flat angles C4'-P-C4' energy: -156.547 flat angles P-C4'-P energy: -81.258 tors. eta vs tors. theta energy: -67.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -938.249344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.249344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.249344 (E_RNA) where: Base-Base interactions energy: -477.572 where: short stacking energy: -267.828 Base-Backbone interact. energy: 6.172 local terms energy: -466.850200 where: bonds (distance) C4'-P energy: -143.885 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -93.753 flat angles P-C4'-P energy: -82.051 tors. eta vs tors. theta energy: -15.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3125.903588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.903588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.903588 (E_RNA) where: Base-Base interactions energy: -2184.980 where: short stacking energy: -949.160 Base-Backbone interact. energy: 0.528 local terms energy: -941.451643 where: bonds (distance) C4'-P energy: -150.057 bonds (distance) P-C4' energy: -172.207 flat angles C4'-P-C4' energy: -203.483 flat angles P-C4'-P energy: -135.502 tors. eta vs tors. theta energy: -280.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2964.963971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.963971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.963971 (E_RNA) where: Base-Base interactions energy: -2080.706 where: short stacking energy: -874.166 Base-Backbone interact. energy: -4.827 local terms energy: -879.431014 where: bonds (distance) C4'-P energy: -163.790 bonds (distance) P-C4' energy: -160.543 flat angles C4'-P-C4' energy: -185.987 flat angles P-C4'-P energy: -122.102 tors. eta vs tors. theta energy: -247.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2884.401377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.401377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.401377 (E_RNA) where: Base-Base interactions energy: -2022.001 where: short stacking energy: -863.027 Base-Backbone interact. energy: -5.565 local terms energy: -856.835850 where: bonds (distance) C4'-P energy: -149.421 bonds (distance) P-C4' energy: -164.869 flat angles C4'-P-C4' energy: -180.011 flat angles P-C4'-P energy: -114.979 tors. eta vs tors. theta energy: -247.556 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: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2710.957397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.957397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.957397 (E_RNA) where: Base-Base interactions energy: -1874.418 where: short stacking energy: -817.073 Base-Backbone interact. energy: -3.858 local terms energy: -832.681372 where: bonds (distance) C4'-P energy: -155.571 bonds (distance) P-C4' energy: -153.176 flat angles C4'-P-C4' energy: -190.233 flat angles P-C4'-P energy: -106.907 tors. eta vs tors. theta energy: -226.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2535.448650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.448650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.448650 (E_RNA) where: Base-Base interactions energy: -1746.413 where: short stacking energy: -742.981 Base-Backbone interact. energy: -5.119 local terms energy: -783.916993 where: bonds (distance) C4'-P energy: -134.733 bonds (distance) P-C4' energy: -165.591 flat angles C4'-P-C4' energy: -168.334 flat angles P-C4'-P energy: -109.321 tors. eta vs tors. theta energy: -205.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2405.657870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.657870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.657870 (E_RNA) where: Base-Base interactions energy: -1643.694 where: short stacking energy: -719.136 Base-Backbone interact. energy: -1.047 local terms energy: -760.916618 where: bonds (distance) C4'-P energy: -164.074 bonds (distance) P-C4' energy: -143.649 flat angles C4'-P-C4' energy: -164.670 flat angles P-C4'-P energy: -95.209 tors. eta vs tors. theta energy: -193.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2247.549003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.549003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.549003 (E_RNA) where: Base-Base interactions energy: -1573.554 where: short stacking energy: -677.798 Base-Backbone interact. energy: 6.966 local terms energy: -680.961054 where: bonds (distance) C4'-P energy: -125.727 bonds (distance) P-C4' energy: -117.631 flat angles C4'-P-C4' energy: -163.894 flat angles P-C4'-P energy: -98.032 tors. eta vs tors. theta energy: -175.677 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: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2057.847475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.847475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.847475 (E_RNA) where: Base-Base interactions energy: -1424.953 where: short stacking energy: -595.992 Base-Backbone interact. energy: -0.764 local terms energy: -632.130829 where: bonds (distance) C4'-P energy: -141.631 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -145.194 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -127.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1480.715914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.715914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.715914 (E_RNA) where: Base-Base interactions energy: -925.858 where: short stacking energy: -448.297 Base-Backbone interact. energy: -1.165 local terms energy: -553.693115 where: bonds (distance) C4'-P energy: -126.064 bonds (distance) P-C4' energy: -137.328 flat angles C4'-P-C4' energy: -131.561 flat angles P-C4'-P energy: -77.131 tors. eta vs tors. theta energy: -81.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -930.802261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.802261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.802261 (E_RNA) where: Base-Base interactions energy: -453.598 where: short stacking energy: -299.468 Base-Backbone interact. energy: 3.587 local terms energy: -480.791568 where: bonds (distance) C4'-P energy: -135.917 bonds (distance) P-C4' energy: -151.184 flat angles C4'-P-C4' energy: -111.332 flat angles P-C4'-P energy: -75.056 tors. eta vs tors. theta energy: -7.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3107.549537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.549537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.549537 (E_RNA) where: Base-Base interactions energy: -2147.191 where: short stacking energy: -896.288 Base-Backbone interact. energy: -2.336 local terms energy: -958.022071 where: bonds (distance) C4'-P energy: -178.432 bonds (distance) P-C4' energy: -172.085 flat angles C4'-P-C4' energy: -194.409 flat angles P-C4'-P energy: -132.695 tors. eta vs tors. theta energy: -280.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2901.297064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.297064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.297064 (E_RNA) where: Base-Base interactions energy: -2011.885 where: short stacking energy: -848.934 Base-Backbone interact. energy: -5.800 local terms energy: -883.612094 where: bonds (distance) C4'-P energy: -172.386 bonds (distance) P-C4' energy: -165.162 flat angles C4'-P-C4' energy: -198.780 flat angles P-C4'-P energy: -111.126 tors. eta vs tors. theta energy: -236.157 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: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2881.366991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.366991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.366991 (E_RNA) where: Base-Base interactions energy: -2002.460 where: short stacking energy: -856.858 Base-Backbone interact. energy: -5.415 local terms energy: -873.492251 where: bonds (distance) C4'-P energy: -164.145 bonds (distance) P-C4' energy: -170.503 flat angles C4'-P-C4' energy: -196.559 flat angles P-C4'-P energy: -105.790 tors. eta vs tors. theta energy: -236.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2727.622048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.622048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.622048 (E_RNA) where: Base-Base interactions energy: -1890.566 where: short stacking energy: -783.751 Base-Backbone interact. energy: -2.991 local terms energy: -834.065732 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -166.840 flat angles C4'-P-C4' energy: -182.035 flat angles P-C4'-P energy: -121.215 tors. eta vs tors. theta energy: -214.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2558.518287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.518287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.518287 (E_RNA) where: Base-Base interactions energy: -1770.897 where: short stacking energy: -734.354 Base-Backbone interact. energy: -3.385 local terms energy: -784.236449 where: bonds (distance) C4'-P energy: -161.600 bonds (distance) P-C4' energy: -161.662 flat angles C4'-P-C4' energy: -167.121 flat angles P-C4'-P energy: -106.615 tors. eta vs tors. theta energy: -187.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2433.011441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.011441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.011441 (E_RNA) where: Base-Base interactions energy: -1668.680 where: short stacking energy: -714.808 Base-Backbone interact. energy: -5.815 local terms energy: -758.516144 where: bonds (distance) C4'-P energy: -129.579 bonds (distance) P-C4' energy: -156.190 flat angles C4'-P-C4' energy: -168.056 flat angles P-C4'-P energy: -111.583 tors. eta vs tors. theta energy: -193.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2259.412533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.412533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.412533 (E_RNA) where: Base-Base interactions energy: -1527.445 where: short stacking energy: -638.687 Base-Backbone interact. energy: 3.043 local terms energy: -735.010547 where: bonds (distance) C4'-P energy: -147.847 bonds (distance) P-C4' energy: -154.839 flat angles C4'-P-C4' energy: -153.782 flat angles P-C4'-P energy: -101.892 tors. eta vs tors. theta energy: -176.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1964.556634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.556634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.556634 (E_RNA) where: Base-Base interactions energy: -1301.987 where: short stacking energy: -548.839 Base-Backbone interact. energy: -1.063 local terms energy: -661.506428 where: bonds (distance) C4'-P energy: -150.222 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -139.203 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -127.181 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: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1496.540915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.540915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.540915 (E_RNA) where: Base-Base interactions energy: -924.731 where: short stacking energy: -435.442 Base-Backbone interact. energy: -0.636 local terms energy: -571.173474 where: bonds (distance) C4'-P energy: -141.923 bonds (distance) P-C4' energy: -141.860 flat angles C4'-P-C4' energy: -142.999 flat angles P-C4'-P energy: -74.028 tors. eta vs tors. theta energy: -70.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -917.385804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.385804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.385804 (E_RNA) where: Base-Base interactions energy: -470.345 where: short stacking energy: -256.688 Base-Backbone interact. energy: 2.352 local terms energy: -449.391952 where: bonds (distance) C4'-P energy: -108.394 bonds (distance) P-C4' energy: -130.303 flat angles C4'-P-C4' energy: -120.646 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: -15.150 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: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3152.452285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.452285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.452285 (E_RNA) where: Base-Base interactions energy: -2190.996 where: short stacking energy: -957.086 Base-Backbone interact. energy: -1.624 local terms energy: -959.832725 where: bonds (distance) C4'-P energy: -174.694 bonds (distance) P-C4' energy: -158.306 flat angles C4'-P-C4' energy: -192.265 flat angles P-C4'-P energy: -151.636 tors. eta vs tors. theta energy: -282.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2972.721089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.721089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.721089 (E_RNA) where: Base-Base interactions energy: -2084.269 where: short stacking energy: -892.635 Base-Backbone interact. energy: -1.450 local terms energy: -887.002403 where: bonds (distance) C4'-P energy: -158.955 bonds (distance) P-C4' energy: -160.481 flat angles C4'-P-C4' energy: -201.963 flat angles P-C4'-P energy: -119.505 tors. eta vs tors. theta energy: -246.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2866.958000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.958000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.958000 (E_RNA) where: Base-Base interactions energy: -2020.228 where: short stacking energy: -855.953 Base-Backbone interact. energy: -3.904 local terms energy: -842.826403 where: bonds (distance) C4'-P energy: -146.800 bonds (distance) P-C4' energy: -166.456 flat angles C4'-P-C4' energy: -186.714 flat angles P-C4'-P energy: -109.729 tors. eta vs tors. theta energy: -233.127 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: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2769.112115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.112115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.112115 (E_RNA) where: Base-Base interactions energy: -1958.056 where: short stacking energy: -805.602 Base-Backbone interact. energy: -0.142 local terms energy: -810.913714 where: bonds (distance) C4'-P energy: -155.322 bonds (distance) P-C4' energy: -162.314 flat angles C4'-P-C4' energy: -167.241 flat angles P-C4'-P energy: -97.077 tors. eta vs tors. theta energy: -228.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2548.220414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.220414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.220414 (E_RNA) where: Base-Base interactions energy: -1754.124 where: short stacking energy: -743.485 Base-Backbone interact. energy: 1.844 local terms energy: -795.940945 where: bonds (distance) C4'-P energy: -163.678 bonds (distance) P-C4' energy: -146.565 flat angles C4'-P-C4' energy: -168.035 flat angles P-C4'-P energy: -101.742 tors. eta vs tors. theta energy: -215.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2460.908712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.908712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.908712 (E_RNA) where: Base-Base interactions energy: -1691.093 where: short stacking energy: -740.008 Base-Backbone interact. energy: -3.123 local terms energy: -766.692117 where: bonds (distance) C4'-P energy: -157.126 bonds (distance) P-C4' energy: -150.763 flat angles C4'-P-C4' energy: -160.088 flat angles P-C4'-P energy: -104.178 tors. eta vs tors. theta energy: -194.537 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: 452 Temperature: 1.200000 Total energy: -2236.847631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.847631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.847631 (E_RNA) where: Base-Base interactions energy: -1538.567 where: short stacking energy: -663.118 Base-Backbone interact. energy: 0.148 local terms energy: -698.428117 where: bonds (distance) C4'-P energy: -124.539 bonds (distance) P-C4' energy: -149.794 flat angles C4'-P-C4' energy: -150.984 flat angles P-C4'-P energy: -105.353 tors. eta vs tors. theta energy: -167.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1906.998354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.998354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.998354 (E_RNA) where: Base-Base interactions energy: -1286.985 where: short stacking energy: -540.572 Base-Backbone interact. energy: 6.972 local terms energy: -626.986174 where: bonds (distance) C4'-P energy: -139.198 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -144.110 flat angles P-C4'-P energy: -83.896 tors. eta vs tors. theta energy: -119.385 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: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1467.606687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.606687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.606687 (E_RNA) where: Base-Base interactions energy: -893.749 where: short stacking energy: -421.199 Base-Backbone interact. energy: -3.059 local terms energy: -570.798586 where: bonds (distance) C4'-P energy: -145.516 bonds (distance) P-C4' energy: -122.321 flat angles C4'-P-C4' energy: -134.130 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -96.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -982.587795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.587795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.587795 (E_RNA) where: Base-Base interactions energy: -560.645 where: short stacking energy: -255.049 Base-Backbone interact. energy: -0.124 local terms energy: -421.819103 where: bonds (distance) C4'-P energy: -99.347 bonds (distance) P-C4' energy: -132.693 flat angles C4'-P-C4' energy: -122.216 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: 24.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3124.938206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.938206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.938206 (E_RNA) where: Base-Base interactions energy: -2172.609 where: short stacking energy: -938.981 Base-Backbone interact. energy: -5.013 local terms energy: -947.316118 where: bonds (distance) C4'-P energy: -160.189 bonds (distance) P-C4' energy: -171.163 flat angles C4'-P-C4' energy: -205.005 flat angles P-C4'-P energy: -130.386 tors. eta vs tors. theta energy: -280.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2960.393014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.393014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.393014 (E_RNA) where: Base-Base interactions energy: -2077.002 where: short stacking energy: -898.991 Base-Backbone interact. energy: 0.449 local terms energy: -883.839941 where: bonds (distance) C4'-P energy: -148.822 bonds (distance) P-C4' energy: -163.949 flat angles C4'-P-C4' energy: -189.267 flat angles P-C4'-P energy: -130.201 tors. eta vs tors. theta energy: -251.601 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: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2879.302539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.302539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.302539 (E_RNA) where: Base-Base interactions energy: -2018.535 where: short stacking energy: -845.551 Base-Backbone interact. energy: -5.717 local terms energy: -855.050487 where: bonds (distance) C4'-P energy: -157.374 bonds (distance) P-C4' energy: -155.197 flat angles C4'-P-C4' energy: -184.426 flat angles P-C4'-P energy: -112.623 tors. eta vs tors. theta energy: -245.431 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: 453 Temperature: 1.050000 Total energy: -2777.836479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.836479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.836479 (E_RNA) where: Base-Base interactions energy: -1967.426 where: short stacking energy: -809.585 Base-Backbone interact. energy: -0.278 local terms energy: -810.132810 where: bonds (distance) C4'-P energy: -156.671 bonds (distance) P-C4' energy: -140.050 flat angles C4'-P-C4' energy: -181.323 flat angles P-C4'-P energy: -120.146 tors. eta vs tors. theta energy: -211.944 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: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2517.808426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.808426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.808426 (E_RNA) where: Base-Base interactions energy: -1777.274 where: short stacking energy: -742.279 Base-Backbone interact. energy: -1.697 local terms energy: -738.838086 where: bonds (distance) C4'-P energy: -152.645 bonds (distance) P-C4' energy: -140.499 flat angles C4'-P-C4' energy: -176.246 flat angles P-C4'-P energy: -74.506 tors. eta vs tors. theta energy: -194.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2424.461668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.461668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.461668 (E_RNA) where: Base-Base interactions energy: -1683.616 where: short stacking energy: -697.004 Base-Backbone interact. energy: -1.001 local terms energy: -739.844701 where: bonds (distance) C4'-P energy: -132.406 bonds (distance) P-C4' energy: -145.641 flat angles C4'-P-C4' energy: -161.341 flat angles P-C4'-P energy: -104.106 tors. eta vs tors. theta energy: -196.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2266.803565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.803565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.803565 (E_RNA) where: Base-Base interactions energy: -1559.971 where: short stacking energy: -649.743 Base-Backbone interact. energy: -1.441 local terms energy: -705.391056 where: bonds (distance) C4'-P energy: -126.308 bonds (distance) P-C4' energy: -162.720 flat angles C4'-P-C4' energy: -161.624 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -159.910 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: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1922.856328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.856328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.856328 (E_RNA) where: Base-Base interactions energy: -1319.359 where: short stacking energy: -552.305 Base-Backbone interact. energy: -1.834 local terms energy: -601.664038 where: bonds (distance) C4'-P energy: -126.740 bonds (distance) P-C4' energy: -137.482 flat angles C4'-P-C4' energy: -151.614 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -121.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1476.244135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.244135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.244135 (E_RNA) where: Base-Base interactions energy: -890.993 where: short stacking energy: -453.217 Base-Backbone interact. energy: -2.174 local terms energy: -583.076884 where: bonds (distance) C4'-P energy: -128.414 bonds (distance) P-C4' energy: -144.850 flat angles C4'-P-C4' energy: -156.159 flat angles P-C4'-P energy: -66.246 tors. eta vs tors. theta energy: -87.408 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: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -990.000534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.000534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.000534 (E_RNA) where: Base-Base interactions energy: -549.766 where: short stacking energy: -291.943 Base-Backbone interact. energy: 1.183 local terms energy: -441.417138 where: bonds (distance) C4'-P energy: -112.755 bonds (distance) P-C4' energy: -135.634 flat angles C4'-P-C4' energy: -123.569 flat angles P-C4'-P energy: -63.467 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3086.186171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.186171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.186171 (E_RNA) where: Base-Base interactions energy: -2153.690 where: short stacking energy: -916.995 Base-Backbone interact. energy: -1.647 local terms energy: -930.848738 where: bonds (distance) C4'-P energy: -172.904 bonds (distance) P-C4' energy: -146.866 flat angles C4'-P-C4' energy: -196.864 flat angles P-C4'-P energy: -134.516 tors. eta vs tors. theta energy: -279.699 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: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2979.150481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.150481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.150481 (E_RNA) where: Base-Base interactions energy: -2106.815 where: short stacking energy: -863.108 Base-Backbone interact. energy: -3.045 local terms energy: -869.290367 where: bonds (distance) C4'-P energy: -162.922 bonds (distance) P-C4' energy: -166.225 flat angles C4'-P-C4' energy: -184.937 flat angles P-C4'-P energy: -112.064 tors. eta vs tors. theta energy: -243.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2854.573535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.573535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.573535 (E_RNA) where: Base-Base interactions energy: -1997.154 where: short stacking energy: -804.110 Base-Backbone interact. energy: 1.367 local terms energy: -858.786212 where: bonds (distance) C4'-P energy: -169.638 bonds (distance) P-C4' energy: -154.534 flat angles C4'-P-C4' energy: -181.163 flat angles P-C4'-P energy: -123.717 tors. eta vs tors. theta energy: -229.734 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: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2718.940174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.940174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.940174 (E_RNA) where: Base-Base interactions energy: -1948.516 where: short stacking energy: -807.289 Base-Backbone interact. energy: -2.561 local terms energy: -767.863442 where: bonds (distance) C4'-P energy: -148.199 bonds (distance) P-C4' energy: -130.835 flat angles C4'-P-C4' energy: -157.964 flat angles P-C4'-P energy: -109.317 tors. eta vs tors. theta energy: -221.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2519.897504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.897504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.897504 (E_RNA) where: Base-Base interactions energy: -1754.265 where: short stacking energy: -759.582 Base-Backbone interact. energy: -0.613 local terms energy: -765.020107 where: bonds (distance) C4'-P energy: -140.364 bonds (distance) P-C4' energy: -142.063 flat angles C4'-P-C4' energy: -176.234 flat angles P-C4'-P energy: -107.165 tors. eta vs tors. theta energy: -199.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2514.023447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.023447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.023447 (E_RNA) where: Base-Base interactions energy: -1717.320 where: short stacking energy: -749.749 Base-Backbone interact. energy: -1.538 local terms energy: -795.165403 where: bonds (distance) C4'-P energy: -147.733 bonds (distance) P-C4' energy: -161.060 flat angles C4'-P-C4' energy: -167.280 flat angles P-C4'-P energy: -119.431 tors. eta vs tors. theta energy: -199.661 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: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2231.178540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.178540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.178540 (E_RNA) where: Base-Base interactions energy: -1541.160 where: short stacking energy: -659.650 Base-Backbone interact. energy: -1.194 local terms energy: -688.825233 where: bonds (distance) C4'-P energy: -130.117 bonds (distance) P-C4' energy: -149.765 flat angles C4'-P-C4' energy: -148.876 flat angles P-C4'-P energy: -96.050 tors. eta vs tors. theta energy: -164.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1899.393363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.393363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.393363 (E_RNA) where: Base-Base interactions energy: -1270.141 where: short stacking energy: -552.765 Base-Backbone interact. energy: -3.073 local terms energy: -626.179788 where: bonds (distance) C4'-P energy: -129.753 bonds (distance) P-C4' energy: -153.938 flat angles C4'-P-C4' energy: -149.273 flat angles P-C4'-P energy: -89.724 tors. eta vs tors. theta energy: -103.492 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: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1464.587788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.587788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.587788 (E_RNA) where: Base-Base interactions energy: -910.289 where: short stacking energy: -410.974 Base-Backbone interact. energy: -1.400 local terms energy: -552.898850 where: bonds (distance) C4'-P energy: -139.849 bonds (distance) P-C4' energy: -141.644 flat angles C4'-P-C4' energy: -128.494 flat angles P-C4'-P energy: -83.891 tors. eta vs tors. theta energy: -59.020 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: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1058.374853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.374853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.374853 (E_RNA) where: Base-Base interactions energy: -546.475 where: short stacking energy: -304.564 Base-Backbone interact. energy: 1.760 local terms energy: -513.659762 where: bonds (distance) C4'-P energy: -150.606 bonds (distance) P-C4' energy: -156.538 flat angles C4'-P-C4' energy: -125.847 flat angles P-C4'-P energy: -54.776 tors. eta vs tors. theta energy: -25.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3100.671214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.671214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.671214 (E_RNA) where: Base-Base interactions energy: -2158.596 where: short stacking energy: -937.679 Base-Backbone interact. energy: 0.202 local terms energy: -942.276570 where: bonds (distance) C4'-P energy: -164.568 bonds (distance) P-C4' energy: -175.112 flat angles C4'-P-C4' energy: -189.902 flat angles P-C4'-P energy: -136.206 tors. eta vs tors. theta energy: -276.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2955.409369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.409369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.409369 (E_RNA) where: Base-Base interactions energy: -2061.484 where: short stacking energy: -873.910 Base-Backbone interact. energy: -3.593 local terms energy: -890.332329 where: bonds (distance) C4'-P energy: -151.913 bonds (distance) P-C4' energy: -172.876 flat angles C4'-P-C4' energy: -195.130 flat angles P-C4'-P energy: -131.689 tors. eta vs tors. theta energy: -238.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2866.834653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.834653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.834653 (E_RNA) where: Base-Base interactions energy: -2002.249 where: short stacking energy: -863.494 Base-Backbone interact. energy: -4.989 local terms energy: -859.597200 where: bonds (distance) C4'-P energy: -156.541 bonds (distance) P-C4' energy: -145.683 flat angles C4'-P-C4' energy: -190.868 flat angles P-C4'-P energy: -127.126 tors. eta vs tors. theta energy: -239.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2768.697480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.697480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.697480 (E_RNA) where: Base-Base interactions energy: -1953.135 where: short stacking energy: -813.055 Base-Backbone interact. energy: -2.750 local terms energy: -812.812330 where: bonds (distance) C4'-P energy: -147.666 bonds (distance) P-C4' energy: -150.518 flat angles C4'-P-C4' energy: -162.640 flat angles P-C4'-P energy: -119.808 tors. eta vs tors. theta energy: -232.180 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: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2541.837102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.837102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.837102 (E_RNA) where: Base-Base interactions energy: -1751.910 where: short stacking energy: -738.871 Base-Backbone interact. energy: -1.007 local terms energy: -788.919730 where: bonds (distance) C4'-P energy: -150.048 bonds (distance) P-C4' energy: -150.121 flat angles C4'-P-C4' energy: -179.836 flat angles P-C4'-P energy: -108.509 tors. eta vs tors. theta energy: -200.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2455.271006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.271006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.271006 (E_RNA) where: Base-Base interactions energy: -1695.252 where: short stacking energy: -720.984 Base-Backbone interact. energy: 8.857 local terms energy: -768.876036 where: bonds (distance) C4'-P energy: -146.099 bonds (distance) P-C4' energy: -146.187 flat angles C4'-P-C4' energy: -175.092 flat angles P-C4'-P energy: -96.690 tors. eta vs tors. theta energy: -204.807 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: 455 Temperature: 1.200000 Total energy: -2260.258046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.258046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.258046 (E_RNA) where: Base-Base interactions energy: -1556.186 where: short stacking energy: -653.364 Base-Backbone interact. energy: 0.861 local terms energy: -704.933826 where: bonds (distance) C4'-P energy: -143.211 bonds (distance) P-C4' energy: -149.634 flat angles C4'-P-C4' energy: -149.035 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -177.743 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: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1939.422612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.422612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.422612 (E_RNA) where: Base-Base interactions energy: -1311.044 where: short stacking energy: -533.249 Base-Backbone interact. energy: 0.471 local terms energy: -628.850092 where: bonds (distance) C4'-P energy: -142.934 bonds (distance) P-C4' energy: -151.397 flat angles C4'-P-C4' energy: -126.015 flat angles P-C4'-P energy: -88.660 tors. eta vs tors. theta energy: -119.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1414.216658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.216658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.216658 (E_RNA) where: Base-Base interactions energy: -833.461 where: short stacking energy: -394.053 Base-Backbone interact. energy: -2.113 local terms energy: -578.641805 where: bonds (distance) C4'-P energy: -127.562 bonds (distance) P-C4' energy: -143.179 flat angles C4'-P-C4' energy: -152.960 flat angles P-C4'-P energy: -100.311 tors. eta vs tors. theta energy: -54.630 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: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -993.505312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.505312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.505312 (E_RNA) where: Base-Base interactions energy: -522.132 where: short stacking energy: -273.619 Base-Backbone interact. energy: 1.020 local terms energy: -472.393885 where: bonds (distance) C4'-P energy: -142.682 bonds (distance) P-C4' energy: -121.732 flat angles C4'-P-C4' energy: -129.137 flat angles P-C4'-P energy: -79.975 tors. eta vs tors. theta energy: 1.133 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: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3102.570640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.570640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.570640 (E_RNA) where: Base-Base interactions energy: -2163.484 where: short stacking energy: -955.622 Base-Backbone interact. energy: -3.912 local terms energy: -935.174454 where: bonds (distance) C4'-P energy: -159.602 bonds (distance) P-C4' energy: -172.289 flat angles C4'-P-C4' energy: -199.133 flat angles P-C4'-P energy: -130.783 tors. eta vs tors. theta energy: -273.367 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: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2970.721556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.721556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.721556 (E_RNA) where: Base-Base interactions energy: -2077.760 where: short stacking energy: -852.388 Base-Backbone interact. energy: -4.654 local terms energy: -888.307575 where: bonds (distance) C4'-P energy: -160.030 bonds (distance) P-C4' energy: -158.013 flat angles C4'-P-C4' energy: -180.783 flat angles P-C4'-P energy: -145.767 tors. eta vs tors. theta energy: -243.715 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: 3, replica: 10 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2850.189678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.189678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.189678 (E_RNA) where: Base-Base interactions energy: -2000.999 where: short stacking energy: -843.320 Base-Backbone interact. energy: 1.108 local terms energy: -850.299012 where: bonds (distance) C4'-P energy: -169.021 bonds (distance) P-C4' energy: -156.633 flat angles C4'-P-C4' energy: -181.540 flat angles P-C4'-P energy: -112.596 tors. eta vs tors. theta energy: -230.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2774.833406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.833406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.833406 (E_RNA) where: Base-Base interactions energy: -1951.964 where: short stacking energy: -809.075 Base-Backbone interact. energy: 5.483 local terms energy: -828.353064 where: bonds (distance) C4'-P energy: -145.245 bonds (distance) P-C4' energy: -167.831 flat angles C4'-P-C4' energy: -178.712 flat angles P-C4'-P energy: -119.361 tors. eta vs tors. theta energy: -217.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2513.302838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.302838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.302838 (E_RNA) where: Base-Base interactions energy: -1754.192 where: short stacking energy: -729.341 Base-Backbone interact. energy: -2.301 local terms energy: -756.808923 where: bonds (distance) C4'-P energy: -126.889 bonds (distance) P-C4' energy: -146.838 flat angles C4'-P-C4' energy: -170.838 flat angles P-C4'-P energy: -110.605 tors. eta vs tors. theta energy: -201.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2533.477511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.477511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.477511 (E_RNA) where: Base-Base interactions energy: -1757.633 where: short stacking energy: -769.548 Base-Backbone interact. energy: -1.834 local terms energy: -774.010456 where: bonds (distance) C4'-P energy: -132.558 bonds (distance) P-C4' energy: -159.380 flat angles C4'-P-C4' energy: -166.832 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -215.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2233.050947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.050947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.050947 (E_RNA) where: Base-Base interactions energy: -1517.746 where: short stacking energy: -635.847 Base-Backbone interact. energy: 0.383 local terms energy: -715.687673 where: bonds (distance) C4'-P energy: -129.110 bonds (distance) P-C4' energy: -150.357 flat angles C4'-P-C4' energy: -160.774 flat angles P-C4'-P energy: -106.033 tors. eta vs tors. theta energy: -169.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2005.642979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.642979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.642979 (E_RNA) where: Base-Base interactions energy: -1370.448 where: short stacking energy: -607.494 Base-Backbone interact. energy: 2.294 local terms energy: -637.488863 where: bonds (distance) C4'-P energy: -145.561 bonds (distance) P-C4' energy: -131.922 flat angles C4'-P-C4' energy: -159.744 flat angles P-C4'-P energy: -78.918 tors. eta vs tors. theta energy: -121.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1399.317864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.317864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.317864 (E_RNA) where: Base-Base interactions energy: -894.101 where: short stacking energy: -365.197 Base-Backbone interact. energy: -2.550 local terms energy: -502.666450 where: bonds (distance) C4'-P energy: -126.991 bonds (distance) P-C4' energy: -164.566 flat angles C4'-P-C4' energy: -113.520 flat angles P-C4'-P energy: -63.969 tors. eta vs tors. theta energy: -33.620 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: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1081.733622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.733622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.733622 (E_RNA) where: Base-Base interactions energy: -605.979 where: short stacking energy: -344.983 Base-Backbone interact. energy: -2.165 local terms energy: -473.590252 where: bonds (distance) C4'-P energy: -134.737 bonds (distance) P-C4' energy: -146.421 flat angles C4'-P-C4' energy: -126.122 flat angles P-C4'-P energy: -48.758 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: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3098.484501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.484501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.484501 (E_RNA) where: Base-Base interactions energy: -2157.944 where: short stacking energy: -932.922 Base-Backbone interact. energy: -5.385 local terms energy: -935.155107 where: bonds (distance) C4'-P energy: -174.533 bonds (distance) P-C4' energy: -162.266 flat angles C4'-P-C4' energy: -198.003 flat angles P-C4'-P energy: -132.007 tors. eta vs tors. theta energy: -268.346 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: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2961.305106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.305106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.305106 (E_RNA) where: Base-Base interactions energy: -2071.532 where: short stacking energy: -890.894 Base-Backbone interact. energy: -5.789 local terms energy: -883.984310 where: bonds (distance) C4'-P energy: -145.551 bonds (distance) P-C4' energy: -159.858 flat angles C4'-P-C4' energy: -189.358 flat angles P-C4'-P energy: -130.652 tors. eta vs tors. theta energy: -258.566 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: 3, replica: 10 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2818.792758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.792758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.792758 (E_RNA) where: Base-Base interactions energy: -1989.597 where: short stacking energy: -839.770 Base-Backbone interact. energy: -3.027 local terms energy: -826.169003 where: bonds (distance) C4'-P energy: -148.573 bonds (distance) P-C4' energy: -156.321 flat angles C4'-P-C4' energy: -179.764 flat angles P-C4'-P energy: -104.736 tors. eta vs tors. theta energy: -236.775 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: 457 Temperature: 1.050000 Total energy: -2734.834223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.834223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.834223 (E_RNA) where: Base-Base interactions energy: -1918.917 where: short stacking energy: -793.352 Base-Backbone interact. energy: -2.864 local terms energy: -813.053758 where: bonds (distance) C4'-P energy: -136.205 bonds (distance) P-C4' energy: -153.122 flat angles C4'-P-C4' energy: -190.450 flat angles P-C4'-P energy: -114.291 tors. eta vs tors. theta energy: -218.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2571.781200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.781200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.781200 (E_RNA) where: Base-Base interactions energy: -1759.801 where: short stacking energy: -771.215 Base-Backbone interact. energy: -3.436 local terms energy: -808.544129 where: bonds (distance) C4'-P energy: -144.569 bonds (distance) P-C4' energy: -153.125 flat angles C4'-P-C4' energy: -178.299 flat angles P-C4'-P energy: -119.127 tors. eta vs tors. theta energy: -213.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2450.038732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.038732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.038732 (E_RNA) where: Base-Base interactions energy: -1714.891 where: short stacking energy: -724.003 Base-Backbone interact. energy: -0.637 local terms energy: -734.511034 where: bonds (distance) C4'-P energy: -132.645 bonds (distance) P-C4' energy: -141.397 flat angles C4'-P-C4' energy: -167.597 flat angles P-C4'-P energy: -105.446 tors. eta vs tors. theta energy: -187.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2212.176903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.176903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.176903 (E_RNA) where: Base-Base interactions energy: -1532.311 where: short stacking energy: -657.680 Base-Backbone interact. energy: -1.687 local terms energy: -678.178704 where: bonds (distance) C4'-P energy: -145.358 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -162.789 flat angles P-C4'-P energy: -76.383 tors. eta vs tors. theta energy: -172.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1935.133582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.133582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.133582 (E_RNA) where: Base-Base interactions energy: -1301.753 where: short stacking energy: -544.857 Base-Backbone interact. energy: -0.255 local terms energy: -633.124999 where: bonds (distance) C4'-P energy: -134.295 bonds (distance) P-C4' energy: -136.315 flat angles C4'-P-C4' energy: -141.005 flat angles P-C4'-P energy: -96.675 tors. eta vs tors. theta energy: -124.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1464.204120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.204120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.204120 (E_RNA) where: Base-Base interactions energy: -886.535 where: short stacking energy: -425.495 Base-Backbone interact. energy: 2.404 local terms energy: -580.072874 where: bonds (distance) C4'-P energy: -139.913 bonds (distance) P-C4' energy: -150.929 flat angles C4'-P-C4' energy: -146.489 flat angles P-C4'-P energy: -77.587 tors. eta vs tors. theta energy: -65.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -976.870499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.870499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.870499 (E_RNA) where: Base-Base interactions energy: -540.507 where: short stacking energy: -265.500 Base-Backbone interact. energy: 2.872 local terms energy: -439.235751 where: bonds (distance) C4'-P energy: -112.844 bonds (distance) P-C4' energy: -126.685 flat angles C4'-P-C4' energy: -118.609 flat angles P-C4'-P energy: -73.865 tors. eta vs tors. theta energy: -7.233 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: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3132.523444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.523444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.523444 (E_RNA) where: Base-Base interactions energy: -2222.206 where: short stacking energy: -944.146 Base-Backbone interact. energy: 0.028 local terms energy: -910.345671 where: bonds (distance) C4'-P energy: -150.900 bonds (distance) P-C4' energy: -171.604 flat angles C4'-P-C4' energy: -197.149 flat angles P-C4'-P energy: -118.615 tors. eta vs tors. theta energy: -272.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2964.794517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.794517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.794517 (E_RNA) where: Base-Base interactions energy: -2080.905 where: short stacking energy: -851.107 Base-Backbone interact. energy: -7.132 local terms energy: -876.757209 where: bonds (distance) C4'-P energy: -147.902 bonds (distance) P-C4' energy: -185.828 flat angles C4'-P-C4' energy: -176.916 flat angles P-C4'-P energy: -126.693 tors. eta vs tors. theta energy: -239.418 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: 10 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2882.938482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.938482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.938482 (E_RNA) where: Base-Base interactions energy: -2007.515 where: short stacking energy: -850.815 Base-Backbone interact. energy: 0.945 local terms energy: -876.368746 where: bonds (distance) C4'-P energy: -171.153 bonds (distance) P-C4' energy: -161.317 flat angles C4'-P-C4' energy: -182.545 flat angles P-C4'-P energy: -109.691 tors. eta vs tors. theta energy: -251.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2755.548645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.548645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.548645 (E_RNA) where: Base-Base interactions energy: -1958.754 where: short stacking energy: -832.547 Base-Backbone interact. energy: -2.985 local terms energy: -793.810053 where: bonds (distance) C4'-P energy: -138.147 bonds (distance) P-C4' energy: -164.329 flat angles C4'-P-C4' energy: -163.441 flat angles P-C4'-P energy: -104.319 tors. eta vs tors. theta energy: -223.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2518.757157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.757157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.757157 (E_RNA) where: Base-Base interactions energy: -1738.425 where: short stacking energy: -712.152 Base-Backbone interact. energy: -0.047 local terms energy: -780.285240 where: bonds (distance) C4'-P energy: -146.749 bonds (distance) P-C4' energy: -160.354 flat angles C4'-P-C4' energy: -170.077 flat angles P-C4'-P energy: -109.347 tors. eta vs tors. theta energy: -193.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2485.692793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.692793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.692793 (E_RNA) where: Base-Base interactions energy: -1729.403 where: short stacking energy: -742.730 Base-Backbone interact. energy: 0.787 local terms energy: -757.077073 where: bonds (distance) C4'-P energy: -134.843 bonds (distance) P-C4' energy: -132.463 flat angles C4'-P-C4' energy: -170.801 flat angles P-C4'-P energy: -111.604 tors. eta vs tors. theta energy: -207.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2192.950623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.950623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.950623 (E_RNA) where: Base-Base interactions energy: -1511.822 where: short stacking energy: -611.966 Base-Backbone interact. energy: -3.487 local terms energy: -677.641600 where: bonds (distance) C4'-P energy: -142.026 bonds (distance) P-C4' energy: -132.787 flat angles C4'-P-C4' energy: -150.024 flat angles P-C4'-P energy: -102.084 tors. eta vs tors. theta energy: -150.721 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: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1871.377728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.377728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.377728 (E_RNA) where: Base-Base interactions energy: -1262.455 where: short stacking energy: -513.129 Base-Backbone interact. energy: 0.020 local terms energy: -608.943318 where: bonds (distance) C4'-P energy: -116.751 bonds (distance) P-C4' energy: -155.433 flat angles C4'-P-C4' energy: -146.065 flat angles P-C4'-P energy: -86.349 tors. eta vs tors. theta energy: -104.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1406.973102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.973102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.973102 (E_RNA) where: Base-Base interactions energy: -882.519 where: short stacking energy: -406.128 Base-Backbone interact. energy: -4.060 local terms energy: -520.393890 where: bonds (distance) C4'-P energy: -120.454 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -139.223 flat angles P-C4'-P energy: -65.928 tors. eta vs tors. theta energy: -58.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -869.595417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.595417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.595417 (E_RNA) where: Base-Base interactions energy: -445.775 where: short stacking energy: -246.493 Base-Backbone interact. energy: 2.056 local terms energy: -425.876473 where: bonds (distance) C4'-P energy: -119.483 bonds (distance) P-C4' energy: -140.111 flat angles C4'-P-C4' energy: -107.165 flat angles P-C4'-P energy: -84.482 tors. eta vs tors. theta energy: 25.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3133.717991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.717991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.717991 (E_RNA) where: Base-Base interactions energy: -2190.390 where: short stacking energy: -946.489 Base-Backbone interact. energy: -5.245 local terms energy: -938.082952 where: bonds (distance) C4'-P energy: -167.054 bonds (distance) P-C4' energy: -174.772 flat angles C4'-P-C4' energy: -198.738 flat angles P-C4'-P energy: -123.580 tors. eta vs tors. theta energy: -273.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2965.119681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.119681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.119681 (E_RNA) where: Base-Base interactions energy: -2060.950 where: short stacking energy: -859.693 Base-Backbone interact. energy: -1.548 local terms energy: -902.621380 where: bonds (distance) C4'-P energy: -162.587 bonds (distance) P-C4' energy: -171.175 flat angles C4'-P-C4' energy: -199.161 flat angles P-C4'-P energy: -121.819 tors. eta vs tors. theta energy: -247.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2882.303671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.303671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.303671 (E_RNA) where: Base-Base interactions energy: -2013.238 where: short stacking energy: -862.194 Base-Backbone interact. energy: -1.903 local terms energy: -867.162652 where: bonds (distance) C4'-P energy: -148.284 bonds (distance) P-C4' energy: -160.721 flat angles C4'-P-C4' energy: -188.964 flat angles P-C4'-P energy: -110.240 tors. eta vs tors. theta energy: -258.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2772.985547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.985547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.985547 (E_RNA) where: Base-Base interactions energy: -1964.810 where: short stacking energy: -829.040 Base-Backbone interact. energy: -0.199 local terms energy: -807.976618 where: bonds (distance) C4'-P energy: -151.225 bonds (distance) P-C4' energy: -154.898 flat angles C4'-P-C4' energy: -168.759 flat angles P-C4'-P energy: -115.831 tors. eta vs tors. theta energy: -217.263 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: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2520.813759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.813759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.813759 (E_RNA) where: Base-Base interactions energy: -1744.817 where: short stacking energy: -714.508 Base-Backbone interact. energy: -0.567 local terms energy: -775.429741 where: bonds (distance) C4'-P energy: -160.848 bonds (distance) P-C4' energy: -162.394 flat angles C4'-P-C4' energy: -153.104 flat angles P-C4'-P energy: -108.623 tors. eta vs tors. theta energy: -190.460 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: 459 Temperature: 1.150000 Total energy: -2362.379509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.379509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.379509 (E_RNA) where: Base-Base interactions energy: -1629.570 where: short stacking energy: -709.216 Base-Backbone interact. energy: -2.969 local terms energy: -729.840346 where: bonds (distance) C4'-P energy: -142.474 bonds (distance) P-C4' energy: -149.162 flat angles C4'-P-C4' energy: -155.477 flat angles P-C4'-P energy: -107.509 tors. eta vs tors. theta energy: -175.218 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: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2300.288174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.288174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.288174 (E_RNA) where: Base-Base interactions energy: -1589.606 where: short stacking energy: -702.183 Base-Backbone interact. energy: 3.660 local terms energy: -714.342187 where: bonds (distance) C4'-P energy: -145.274 bonds (distance) P-C4' energy: -131.201 flat angles C4'-P-C4' energy: -154.241 flat angles P-C4'-P energy: -103.533 tors. eta vs tors. theta energy: -180.094 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: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1903.874387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.874387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.874387 (E_RNA) where: Base-Base interactions energy: -1277.563 where: short stacking energy: -539.387 Base-Backbone interact. energy: 0.015 local terms energy: -626.326173 where: bonds (distance) C4'-P energy: -130.767 bonds (distance) P-C4' energy: -136.922 flat angles C4'-P-C4' energy: -145.871 flat angles P-C4'-P energy: -97.751 tors. eta vs tors. theta energy: -115.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1425.776845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.776845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.776845 (E_RNA) where: Base-Base interactions energy: -868.324 where: short stacking energy: -443.165 Base-Backbone interact. energy: -1.333 local terms energy: -556.119875 where: bonds (distance) C4'-P energy: -134.929 bonds (distance) P-C4' energy: -138.939 flat angles C4'-P-C4' energy: -137.914 flat angles P-C4'-P energy: -67.547 tors. eta vs tors. theta energy: -76.792 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: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -890.881882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.881882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.881882 (E_RNA) where: Base-Base interactions energy: -415.266 where: short stacking energy: -220.365 Base-Backbone interact. energy: 0.144 local terms energy: -475.759996 where: bonds (distance) C4'-P energy: -145.584 bonds (distance) P-C4' energy: -154.062 flat angles C4'-P-C4' energy: -137.536 flat angles P-C4'-P energy: -56.094 tors. eta vs tors. theta energy: 17.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3105.371799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.371799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.371799 (E_RNA) where: Base-Base interactions energy: -2146.118 where: short stacking energy: -920.593 Base-Backbone interact. energy: -5.007 local terms energy: -954.246490 where: bonds (distance) C4'-P energy: -173.865 bonds (distance) P-C4' energy: -178.834 flat angles C4'-P-C4' energy: -195.620 flat angles P-C4'-P energy: -131.883 tors. eta vs tors. theta energy: -274.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2967.014205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.014205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.014205 (E_RNA) where: Base-Base interactions energy: -2070.493 where: short stacking energy: -875.411 Base-Backbone interact. energy: -3.842 local terms energy: -892.678588 where: bonds (distance) C4'-P energy: -157.494 bonds (distance) P-C4' energy: -159.731 flat angles C4'-P-C4' energy: -180.059 flat angles P-C4'-P energy: -144.022 tors. eta vs tors. theta energy: -251.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2841.568800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.568800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.568800 (E_RNA) where: Base-Base interactions energy: -1951.857 where: short stacking energy: -858.149 Base-Backbone interact. energy: -4.198 local terms energy: -885.513562 where: bonds (distance) C4'-P energy: -144.473 bonds (distance) P-C4' energy: -173.122 flat angles C4'-P-C4' energy: -200.160 flat angles P-C4'-P energy: -115.663 tors. eta vs tors. theta energy: -252.096 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: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2767.590925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.590925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.590925 (E_RNA) where: Base-Base interactions energy: -1914.447 where: short stacking energy: -811.216 Base-Backbone interact. energy: -3.833 local terms energy: -849.310862 where: bonds (distance) C4'-P energy: -157.370 bonds (distance) P-C4' energy: -162.703 flat angles C4'-P-C4' energy: -193.763 flat angles P-C4'-P energy: -105.538 tors. eta vs tors. theta energy: -229.937 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: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2435.033612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.033612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.033612 (E_RNA) where: Base-Base interactions energy: -1710.961 where: short stacking energy: -692.451 Base-Backbone interact. energy: -4.853 local terms energy: -719.219908 where: bonds (distance) C4'-P energy: -148.263 bonds (distance) P-C4' energy: -149.567 flat angles C4'-P-C4' energy: -152.695 flat angles P-C4'-P energy: -86.060 tors. eta vs tors. theta energy: -182.634 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: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2404.456039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.456039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.456039 (E_RNA) where: Base-Base interactions energy: -1653.351 where: short stacking energy: -726.775 Base-Backbone interact. energy: -1.787 local terms energy: -749.317843 where: bonds (distance) C4'-P energy: -128.537 bonds (distance) P-C4' energy: -144.211 flat angles C4'-P-C4' energy: -171.639 flat angles P-C4'-P energy: -110.249 tors. eta vs tors. theta energy: -194.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2222.706729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.706729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.706729 (E_RNA) where: Base-Base interactions energy: -1537.175 where: short stacking energy: -666.258 Base-Backbone interact. energy: -0.444 local terms energy: -685.087435 where: bonds (distance) C4'-P energy: -127.240 bonds (distance) P-C4' energy: -147.100 flat angles C4'-P-C4' energy: -158.426 flat angles P-C4'-P energy: -77.558 tors. eta vs tors. theta energy: -174.763 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: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1911.900030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.900030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.900030 (E_RNA) where: Base-Base interactions energy: -1263.910 where: short stacking energy: -557.586 Base-Backbone interact. energy: -2.467 local terms energy: -645.522840 where: bonds (distance) C4'-P energy: -146.354 bonds (distance) P-C4' energy: -126.242 flat angles C4'-P-C4' energy: -129.542 flat angles P-C4'-P energy: -114.341 tors. eta vs tors. theta energy: -129.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1372.356447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.356447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.356447 (E_RNA) where: Base-Base interactions energy: -857.304 where: short stacking energy: -431.261 Base-Backbone interact. energy: -1.201 local terms energy: -513.851944 where: bonds (distance) C4'-P energy: -117.945 bonds (distance) P-C4' energy: -139.651 flat angles C4'-P-C4' energy: -108.420 flat angles P-C4'-P energy: -65.067 tors. eta vs tors. theta energy: -82.769 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: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -864.470739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.470739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.470739 (E_RNA) where: Base-Base interactions energy: -438.103 where: short stacking energy: -239.682 Base-Backbone interact. energy: -1.603 local terms energy: -424.764638 where: bonds (distance) C4'-P energy: -109.401 bonds (distance) P-C4' energy: -155.712 flat angles C4'-P-C4' energy: -111.082 flat angles P-C4'-P energy: -59.435 tors. eta vs tors. theta energy: 10.866 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: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3079.238917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.238917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.238917 (E_RNA) where: Base-Base interactions energy: -2148.935 where: short stacking energy: -935.274 Base-Backbone interact. energy: -4.448 local terms energy: -925.855439 where: bonds (distance) C4'-P energy: -171.061 bonds (distance) P-C4' energy: -159.043 flat angles C4'-P-C4' energy: -192.470 flat angles P-C4'-P energy: -138.918 tors. eta vs tors. theta energy: -264.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3014.483986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.483986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.483986 (E_RNA) where: Base-Base interactions energy: -2078.635 where: short stacking energy: -894.676 Base-Backbone interact. energy: -4.311 local terms energy: -931.538034 where: bonds (distance) C4'-P energy: -177.434 bonds (distance) P-C4' energy: -173.612 flat angles C4'-P-C4' energy: -200.280 flat angles P-C4'-P energy: -119.949 tors. eta vs tors. theta energy: -260.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2853.625305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.625305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.625305 (E_RNA) where: Base-Base interactions energy: -1992.315 where: short stacking energy: -873.912 Base-Backbone interact. energy: -2.524 local terms energy: -858.785977 where: bonds (distance) C4'-P energy: -145.665 bonds (distance) P-C4' energy: -159.257 flat angles C4'-P-C4' energy: -184.866 flat angles P-C4'-P energy: -124.122 tors. eta vs tors. theta energy: -244.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2682.681341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.681341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.681341 (E_RNA) where: Base-Base interactions energy: -1852.480 where: short stacking energy: -804.130 Base-Backbone interact. energy: 0.017 local terms energy: -830.217935 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -163.871 flat angles C4'-P-C4' energy: -175.198 flat angles P-C4'-P energy: -115.143 tors. eta vs tors. theta energy: -234.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2445.122474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.122474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.122474 (E_RNA) where: Base-Base interactions energy: -1693.499 where: short stacking energy: -721.272 Base-Backbone interact. energy: 3.251 local terms energy: -754.874570 where: bonds (distance) C4'-P energy: -133.296 bonds (distance) P-C4' energy: -142.540 flat angles C4'-P-C4' energy: -166.872 flat angles P-C4'-P energy: -113.585 tors. eta vs tors. theta energy: -198.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2451.309663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.309663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.309663 (E_RNA) where: Base-Base interactions energy: -1679.083 where: short stacking energy: -702.540 Base-Backbone interact. energy: -4.758 local terms energy: -767.468156 where: bonds (distance) C4'-P energy: -137.371 bonds (distance) P-C4' energy: -157.745 flat angles C4'-P-C4' energy: -157.745 flat angles P-C4'-P energy: -117.675 tors. eta vs tors. theta energy: -196.932 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: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2244.531967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.531967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.531967 (E_RNA) where: Base-Base interactions energy: -1518.439 where: short stacking energy: -674.129 Base-Backbone interact. energy: -0.753 local terms energy: -725.340173 where: bonds (distance) C4'-P energy: -144.029 bonds (distance) P-C4' energy: -142.483 flat angles C4'-P-C4' energy: -157.268 flat angles P-C4'-P energy: -107.474 tors. eta vs tors. theta energy: -174.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1874.703781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.703781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.703781 (E_RNA) where: Base-Base interactions energy: -1242.821 where: short stacking energy: -557.269 Base-Backbone interact. energy: 2.763 local terms energy: -634.646507 where: bonds (distance) C4'-P energy: -128.295 bonds (distance) P-C4' energy: -122.865 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -101.441 tors. eta vs tors. theta energy: -127.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1484.824329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.824329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.824329 (E_RNA) where: Base-Base interactions energy: -937.553 where: short stacking energy: -459.687 Base-Backbone interact. energy: 1.424 local terms energy: -548.695486 where: bonds (distance) C4'-P energy: -111.039 bonds (distance) P-C4' energy: -137.888 flat angles C4'-P-C4' energy: -145.648 flat angles P-C4'-P energy: -80.091 tors. eta vs tors. theta energy: -74.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1022.361882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.361882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.361882 (E_RNA) where: Base-Base interactions energy: -562.020 where: short stacking energy: -304.055 Base-Backbone interact. energy: -2.019 local terms energy: -458.323614 where: bonds (distance) C4'-P energy: -123.522 bonds (distance) P-C4' energy: -128.120 flat angles C4'-P-C4' energy: -102.652 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -34.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3108.168250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.168250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.168250 (E_RNA) where: Base-Base interactions energy: -2148.859 where: short stacking energy: -934.255 Base-Backbone interact. energy: -4.037 local terms energy: -955.271775 where: bonds (distance) C4'-P energy: -172.560 bonds (distance) P-C4' energy: -170.588 flat angles C4'-P-C4' energy: -197.509 flat angles P-C4'-P energy: -142.471 tors. eta vs tors. theta energy: -272.143 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: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2965.195726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.195726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.195726 (E_RNA) where: Base-Base interactions energy: -2072.959 where: short stacking energy: -878.163 Base-Backbone interact. energy: -2.088 local terms energy: -890.149343 where: bonds (distance) C4'-P energy: -157.187 bonds (distance) P-C4' energy: -174.558 flat angles C4'-P-C4' energy: -188.346 flat angles P-C4'-P energy: -123.750 tors. eta vs tors. theta energy: -246.308 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: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2864.786907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.786907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.786907 (E_RNA) where: Base-Base interactions energy: -1988.824 where: short stacking energy: -838.691 Base-Backbone interact. energy: -4.340 local terms energy: -871.622261 where: bonds (distance) C4'-P energy: -161.597 bonds (distance) P-C4' energy: -160.181 flat angles C4'-P-C4' energy: -184.223 flat angles P-C4'-P energy: -120.242 tors. eta vs tors. theta energy: -245.379 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: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2736.092143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.092143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.092143 (E_RNA) where: Base-Base interactions energy: -1911.288 where: short stacking energy: -830.270 Base-Backbone interact. energy: -2.081 local terms energy: -822.723444 where: bonds (distance) C4'-P energy: -139.625 bonds (distance) P-C4' energy: -162.600 flat angles C4'-P-C4' energy: -180.109 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -236.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2495.468389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.468389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.468389 (E_RNA) where: Base-Base interactions energy: -1721.970 where: short stacking energy: -731.840 Base-Backbone interact. energy: -0.593 local terms energy: -772.905069 where: bonds (distance) C4'-P energy: -148.223 bonds (distance) P-C4' energy: -148.621 flat angles C4'-P-C4' energy: -170.039 flat angles P-C4'-P energy: -101.497 tors. eta vs tors. theta energy: -204.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2449.402658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.402658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.402658 (E_RNA) where: Base-Base interactions energy: -1693.687 where: short stacking energy: -736.722 Base-Backbone interact. energy: -1.568 local terms energy: -754.147800 where: bonds (distance) C4'-P energy: -137.491 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -158.153 flat angles P-C4'-P energy: -104.745 tors. eta vs tors. theta energy: -201.452 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: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2336.091248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.091248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.091248 (E_RNA) where: Base-Base interactions energy: -1576.642 where: short stacking energy: -671.605 Base-Backbone interact. energy: -1.366 local terms energy: -758.083089 where: bonds (distance) C4'-P energy: -138.022 bonds (distance) P-C4' energy: -138.541 flat angles C4'-P-C4' energy: -159.431 flat angles P-C4'-P energy: -112.209 tors. eta vs tors. theta energy: -209.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1842.977446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.977446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.977446 (E_RNA) where: Base-Base interactions energy: -1219.469 where: short stacking energy: -543.373 Base-Backbone interact. energy: -1.688 local terms energy: -621.819920 where: bonds (distance) C4'-P energy: -137.719 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -138.222 flat angles P-C4'-P energy: -94.906 tors. eta vs tors. theta energy: -118.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1494.371690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.371690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.371690 (E_RNA) where: Base-Base interactions energy: -922.998 where: short stacking energy: -445.055 Base-Backbone interact. energy: 13.286 local terms energy: -584.659865 where: bonds (distance) C4'-P energy: -136.318 bonds (distance) P-C4' energy: -144.346 flat angles C4'-P-C4' energy: -121.411 flat angles P-C4'-P energy: -101.558 tors. eta vs tors. theta energy: -81.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -929.889713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.889713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.889713 (E_RNA) where: Base-Base interactions energy: -484.336 where: short stacking energy: -268.720 Base-Backbone interact. energy: -0.038 local terms energy: -445.515986 where: bonds (distance) C4'-P energy: -129.076 bonds (distance) P-C4' energy: -151.136 flat angles C4'-P-C4' energy: -123.951 flat angles P-C4'-P energy: -48.518 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: 1, replica: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3083.470595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.470595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.470595 (E_RNA) where: Base-Base interactions energy: -2132.886 where: short stacking energy: -916.741 Base-Backbone interact. energy: -1.498 local terms energy: -949.086133 where: bonds (distance) C4'-P energy: -168.514 bonds (distance) P-C4' energy: -170.844 flat angles C4'-P-C4' energy: -198.843 flat angles P-C4'-P energy: -133.501 tors. eta vs tors. theta energy: -277.383 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: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2959.193409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.193409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.193409 (E_RNA) where: Base-Base interactions energy: -2068.253 where: short stacking energy: -863.318 Base-Backbone interact. energy: -3.552 local terms energy: -887.388035 where: bonds (distance) C4'-P energy: -173.207 bonds (distance) P-C4' energy: -166.205 flat angles C4'-P-C4' energy: -188.543 flat angles P-C4'-P energy: -118.198 tors. eta vs tors. theta energy: -241.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2873.679388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.679388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.679388 (E_RNA) where: Base-Base interactions energy: -2013.107 where: short stacking energy: -855.937 Base-Backbone interact. energy: -1.144 local terms energy: -859.428316 where: bonds (distance) C4'-P energy: -155.093 bonds (distance) P-C4' energy: -160.189 flat angles C4'-P-C4' energy: -191.501 flat angles P-C4'-P energy: -101.692 tors. eta vs tors. theta energy: -250.954 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: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2768.730636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.730636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.730636 (E_RNA) where: Base-Base interactions energy: -1938.772 where: short stacking energy: -816.906 Base-Backbone interact. energy: 2.373 local terms energy: -832.332169 where: bonds (distance) C4'-P energy: -159.864 bonds (distance) P-C4' energy: -146.385 flat angles C4'-P-C4' energy: -178.607 flat angles P-C4'-P energy: -119.050 tors. eta vs tors. theta energy: -228.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2480.536067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.536067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.536067 (E_RNA) where: Base-Base interactions energy: -1689.819 where: short stacking energy: -726.436 Base-Backbone interact. energy: 1.323 local terms energy: -792.039929 where: bonds (distance) C4'-P energy: -134.463 bonds (distance) P-C4' energy: -161.373 flat angles C4'-P-C4' energy: -179.359 flat angles P-C4'-P energy: -116.961 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: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2399.381418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.381418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.381418 (E_RNA) where: Base-Base interactions energy: -1639.569 where: short stacking energy: -724.341 Base-Backbone interact. energy: 3.688 local terms energy: -763.500763 where: bonds (distance) C4'-P energy: -129.734 bonds (distance) P-C4' energy: -139.499 flat angles C4'-P-C4' energy: -174.879 flat angles P-C4'-P energy: -102.025 tors. eta vs tors. theta energy: -217.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2279.672441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.672441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.672441 (E_RNA) where: Base-Base interactions energy: -1574.951 where: short stacking energy: -628.240 Base-Backbone interact. energy: 0.022 local terms energy: -704.743157 where: bonds (distance) C4'-P energy: -131.555 bonds (distance) P-C4' energy: -145.938 flat angles C4'-P-C4' energy: -151.340 flat angles P-C4'-P energy: -101.043 tors. eta vs tors. theta energy: -174.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1842.150373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.150373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.150373 (E_RNA) where: Base-Base interactions energy: -1236.771 where: short stacking energy: -529.873 Base-Backbone interact. energy: -1.426 local terms energy: -603.953129 where: bonds (distance) C4'-P energy: -142.862 bonds (distance) P-C4' energy: -132.738 flat angles C4'-P-C4' energy: -128.593 flat angles P-C4'-P energy: -84.037 tors. eta vs tors. theta energy: -115.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1459.780799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.780799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.780799 (E_RNA) where: Base-Base interactions energy: -908.628 where: short stacking energy: -446.045 Base-Backbone interact. energy: -2.809 local terms energy: -548.344619 where: bonds (distance) C4'-P energy: -121.618 bonds (distance) P-C4' energy: -164.037 flat angles C4'-P-C4' energy: -108.367 flat angles P-C4'-P energy: -80.378 tors. eta vs tors. theta energy: -73.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -918.906839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.906839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.906839 (E_RNA) where: Base-Base interactions energy: -494.032 where: short stacking energy: -268.432 Base-Backbone interact. energy: 6.296 local terms energy: -431.170509 where: bonds (distance) C4'-P energy: -133.013 bonds (distance) P-C4' energy: -130.245 flat angles C4'-P-C4' energy: -103.981 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: 2.709 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: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3059.598528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.598528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.598528 (E_RNA) where: Base-Base interactions energy: -2139.351 where: short stacking energy: -920.018 Base-Backbone interact. energy: -4.376 local terms energy: -915.870780 where: bonds (distance) C4'-P energy: -164.606 bonds (distance) P-C4' energy: -178.626 flat angles C4'-P-C4' energy: -195.884 flat angles P-C4'-P energy: -111.374 tors. eta vs tors. theta energy: -265.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2925.642224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.642224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.642224 (E_RNA) where: Base-Base interactions energy: -2058.408 where: short stacking energy: -847.916 Base-Backbone interact. energy: -1.473 local terms energy: -865.761083 where: bonds (distance) C4'-P energy: -149.812 bonds (distance) P-C4' energy: -143.453 flat angles C4'-P-C4' energy: -191.084 flat angles P-C4'-P energy: -139.640 tors. eta vs tors. theta energy: -241.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2859.997236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.997236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.997236 (E_RNA) where: Base-Base interactions energy: -2016.350 where: short stacking energy: -834.624 Base-Backbone interact. energy: -1.670 local terms energy: -841.977213 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -155.171 flat angles C4'-P-C4' energy: -190.641 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -240.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2743.302512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.302512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.302512 (E_RNA) where: Base-Base interactions energy: -1907.677 where: short stacking energy: -799.292 Base-Backbone interact. energy: -4.320 local terms energy: -831.305314 where: bonds (distance) C4'-P energy: -150.249 bonds (distance) P-C4' energy: -161.312 flat angles C4'-P-C4' energy: -185.249 flat angles P-C4'-P energy: -108.969 tors. eta vs tors. theta energy: -225.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2503.579896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.579896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.579896 (E_RNA) where: Base-Base interactions energy: -1729.411 where: short stacking energy: -742.880 Base-Backbone interact. energy: -1.242 local terms energy: -772.926598 where: bonds (distance) C4'-P energy: -140.823 bonds (distance) P-C4' energy: -167.927 flat angles C4'-P-C4' energy: -154.817 flat angles P-C4'-P energy: -111.542 tors. eta vs tors. theta energy: -197.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2419.272829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.272829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.272829 (E_RNA) where: Base-Base interactions energy: -1671.163 where: short stacking energy: -711.705 Base-Backbone interact. energy: -0.906 local terms energy: -747.204418 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -134.705 flat angles C4'-P-C4' energy: -174.636 flat angles P-C4'-P energy: -115.091 tors. eta vs tors. theta energy: -194.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2243.519159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.519159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.519159 (E_RNA) where: Base-Base interactions energy: -1529.621 where: short stacking energy: -661.931 Base-Backbone interact. energy: 4.326 local terms energy: -718.223822 where: bonds (distance) C4'-P energy: -137.565 bonds (distance) P-C4' energy: -151.670 flat angles C4'-P-C4' energy: -162.520 flat angles P-C4'-P energy: -91.586 tors. eta vs tors. theta energy: -174.883 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: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1855.947203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.947203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.947203 (E_RNA) where: Base-Base interactions energy: -1259.458 where: short stacking energy: -547.732 Base-Backbone interact. energy: -2.529 local terms energy: -593.960020 where: bonds (distance) C4'-P energy: -142.205 bonds (distance) P-C4' energy: -111.741 flat angles C4'-P-C4' energy: -141.716 flat angles P-C4'-P energy: -83.361 tors. eta vs tors. theta energy: -114.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1464.622193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.622193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.622193 (E_RNA) where: Base-Base interactions energy: -932.044 where: short stacking energy: -449.410 Base-Backbone interact. energy: 7.497 local terms energy: -540.075723 where: bonds (distance) C4'-P energy: -136.701 bonds (distance) P-C4' energy: -141.105 flat angles C4'-P-C4' energy: -149.499 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -61.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -981.446604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.446604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.446604 (E_RNA) where: Base-Base interactions energy: -526.138 where: short stacking energy: -297.854 Base-Backbone interact. energy: -2.015 local terms energy: -453.293617 where: bonds (distance) C4'-P energy: -135.310 bonds (distance) P-C4' energy: -134.725 flat angles C4'-P-C4' energy: -125.597 flat angles P-C4'-P energy: -44.046 tors. eta vs tors. theta energy: -13.615 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: 1, replica: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3105.964608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.964608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.964608 (E_RNA) where: Base-Base interactions energy: -2145.348 where: short stacking energy: -929.502 Base-Backbone interact. energy: -3.302 local terms energy: -957.314425 where: bonds (distance) C4'-P energy: -172.365 bonds (distance) P-C4' energy: -171.292 flat angles C4'-P-C4' energy: -195.043 flat angles P-C4'-P energy: -144.606 tors. eta vs tors. theta energy: -274.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2965.328125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.328125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.328125 (E_RNA) where: Base-Base interactions energy: -2073.087 where: short stacking energy: -889.496 Base-Backbone interact. energy: -5.383 local terms energy: -886.858454 where: bonds (distance) C4'-P energy: -150.138 bonds (distance) P-C4' energy: -165.522 flat angles C4'-P-C4' energy: -199.745 flat angles P-C4'-P energy: -123.889 tors. eta vs tors. theta energy: -247.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2832.808500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.808500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.808500 (E_RNA) where: Base-Base interactions energy: -1965.974 where: short stacking energy: -854.556 Base-Backbone interact. energy: -6.371 local terms energy: -860.463387 where: bonds (distance) C4'-P energy: -158.892 bonds (distance) P-C4' energy: -153.378 flat angles C4'-P-C4' energy: -191.538 flat angles P-C4'-P energy: -117.122 tors. eta vs tors. theta energy: -239.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2741.076254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.076254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.076254 (E_RNA) where: Base-Base interactions energy: -1899.734 where: short stacking energy: -828.019 Base-Backbone interact. energy: -5.336 local terms energy: -836.005786 where: bonds (distance) C4'-P energy: -147.988 bonds (distance) P-C4' energy: -144.395 flat angles C4'-P-C4' energy: -186.097 flat angles P-C4'-P energy: -120.137 tors. eta vs tors. theta energy: -237.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2465.205929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.205929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.205929 (E_RNA) where: Base-Base interactions energy: -1694.594 where: short stacking energy: -705.995 Base-Backbone interact. energy: 1.762 local terms energy: -772.374708 where: bonds (distance) C4'-P energy: -154.143 bonds (distance) P-C4' energy: -151.530 flat angles C4'-P-C4' energy: -168.123 flat angles P-C4'-P energy: -121.547 tors. eta vs tors. theta energy: -177.032 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: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2471.333455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.333455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.333455 (E_RNA) where: Base-Base interactions energy: -1726.089 where: short stacking energy: -740.650 Base-Backbone interact. energy: -2.513 local terms energy: -742.732046 where: bonds (distance) C4'-P energy: -142.881 bonds (distance) P-C4' energy: -154.260 flat angles C4'-P-C4' energy: -154.220 flat angles P-C4'-P energy: -85.671 tors. eta vs tors. theta energy: -205.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2288.428246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.428246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.428246 (E_RNA) where: Base-Base interactions energy: -1560.187 where: short stacking energy: -671.039 Base-Backbone interact. energy: -1.127 local terms energy: -727.114189 where: bonds (distance) C4'-P energy: -130.228 bonds (distance) P-C4' energy: -151.474 flat angles C4'-P-C4' energy: -175.988 flat angles P-C4'-P energy: -103.611 tors. eta vs tors. theta energy: -165.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1786.328925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.328925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.328925 (E_RNA) where: Base-Base interactions energy: -1201.420 where: short stacking energy: -523.091 Base-Backbone interact. energy: 2.871 local terms energy: -587.780392 where: bonds (distance) C4'-P energy: -137.258 bonds (distance) P-C4' energy: -125.897 flat angles C4'-P-C4' energy: -130.752 flat angles P-C4'-P energy: -85.649 tors. eta vs tors. theta energy: -108.224 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: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1480.478726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.478726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.478726 (E_RNA) where: Base-Base interactions energy: -946.247 where: short stacking energy: -444.969 Base-Backbone interact. energy: 3.744 local terms energy: -537.975728 where: bonds (distance) C4'-P energy: -133.545 bonds (distance) P-C4' energy: -145.976 flat angles C4'-P-C4' energy: -135.967 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -48.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -959.278601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.278601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.278601 (E_RNA) where: Base-Base interactions energy: -508.554 where: short stacking energy: -265.382 Base-Backbone interact. energy: -1.794 local terms energy: -448.930863 where: bonds (distance) C4'-P energy: -143.990 bonds (distance) P-C4' energy: -162.663 flat angles C4'-P-C4' energy: -102.809 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: 4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3069.635117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.635117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.635117 (E_RNA) where: Base-Base interactions energy: -2155.156 where: short stacking energy: -912.065 Base-Backbone interact. energy: -3.735 local terms energy: -910.744501 where: bonds (distance) C4'-P energy: -158.946 bonds (distance) P-C4' energy: -182.466 flat angles C4'-P-C4' energy: -184.121 flat angles P-C4'-P energy: -124.574 tors. eta vs tors. theta energy: -260.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2987.921596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.921596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.921596 (E_RNA) where: Base-Base interactions energy: -2096.977 where: short stacking energy: -906.797 Base-Backbone interact. energy: -2.961 local terms energy: -887.983601 where: bonds (distance) C4'-P energy: -161.811 bonds (distance) P-C4' energy: -156.960 flat angles C4'-P-C4' energy: -180.899 flat angles P-C4'-P energy: -139.074 tors. eta vs tors. theta energy: -249.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2858.132546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.132546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.132546 (E_RNA) where: Base-Base interactions energy: -1991.379 where: short stacking energy: -856.822 Base-Backbone interact. energy: 1.762 local terms energy: -868.514919 where: bonds (distance) C4'-P energy: -144.734 bonds (distance) P-C4' energy: -177.373 flat angles C4'-P-C4' energy: -170.158 flat angles P-C4'-P energy: -127.642 tors. eta vs tors. theta energy: -248.608 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: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2715.307047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.307047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.307047 (E_RNA) where: Base-Base interactions energy: -1867.448 where: short stacking energy: -790.258 Base-Backbone interact. energy: -6.631 local terms energy: -841.228299 where: bonds (distance) C4'-P energy: -155.748 bonds (distance) P-C4' energy: -154.793 flat angles C4'-P-C4' energy: -177.729 flat angles P-C4'-P energy: -131.897 tors. eta vs tors. theta energy: -221.061 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: 5, replica: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2627.914552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.914552 (E_RNA) where: Base-Base interactions energy: -1804.487 where: short stacking energy: -765.467 Base-Backbone interact. energy: -1.430 local terms energy: -821.997824 where: bonds (distance) C4'-P energy: -149.092 bonds (distance) P-C4' energy: -149.426 flat angles C4'-P-C4' energy: -185.121 flat angles P-C4'-P energy: -111.037 tors. eta vs tors. theta energy: -227.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2389.483631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.483631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.483631 (E_RNA) where: Base-Base interactions energy: -1664.482 where: short stacking energy: -691.148 Base-Backbone interact. energy: 0.087 local terms energy: -725.088636 where: bonds (distance) C4'-P energy: -122.325 bonds (distance) P-C4' energy: -161.465 flat angles C4'-P-C4' energy: -161.965 flat angles P-C4'-P energy: -102.386 tors. eta vs tors. theta energy: -176.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2272.864732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.864732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.864732 (E_RNA) where: Base-Base interactions energy: -1565.122 where: short stacking energy: -662.366 Base-Backbone interact. energy: -3.495 local terms energy: -704.247052 where: bonds (distance) C4'-P energy: -132.517 bonds (distance) P-C4' energy: -136.641 flat angles C4'-P-C4' energy: -162.870 flat angles P-C4'-P energy: -93.333 tors. eta vs tors. theta energy: -178.886 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: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1806.473591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.473591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.473591 (E_RNA) where: Base-Base interactions energy: -1205.986 where: short stacking energy: -540.744 Base-Backbone interact. energy: -0.128 local terms energy: -600.359296 where: bonds (distance) C4'-P energy: -121.786 bonds (distance) P-C4' energy: -143.219 flat angles C4'-P-C4' energy: -130.682 flat angles P-C4'-P energy: -102.907 tors. eta vs tors. theta energy: -101.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1451.006896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.006896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.006896 (E_RNA) where: Base-Base interactions energy: -900.909 where: short stacking energy: -425.948 Base-Backbone interact. energy: -0.899 local terms energy: -549.198954 where: bonds (distance) C4'-P energy: -133.420 bonds (distance) P-C4' energy: -147.072 flat angles C4'-P-C4' energy: -122.227 flat angles P-C4'-P energy: -83.809 tors. eta vs tors. theta energy: -62.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -994.423354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.423354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.423354 (E_RNA) where: Base-Base interactions energy: -485.931 where: short stacking energy: -251.175 Base-Backbone interact. energy: -2.131 local terms energy: -506.360881 where: bonds (distance) C4'-P energy: -141.083 bonds (distance) P-C4' energy: -130.615 flat angles C4'-P-C4' energy: -134.180 flat angles P-C4'-P energy: -69.497 tors. eta vs tors. theta energy: -30.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3066.048377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.048377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.048377 (E_RNA) where: Base-Base interactions energy: -2138.953 where: short stacking energy: -908.600 Base-Backbone interact. energy: -2.195 local terms energy: -924.900140 where: bonds (distance) C4'-P energy: -174.824 bonds (distance) P-C4' energy: -175.843 flat angles C4'-P-C4' energy: -199.273 flat angles P-C4'-P energy: -121.834 tors. eta vs tors. theta energy: -253.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2946.742432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.742432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.742432 (E_RNA) where: Base-Base interactions energy: -2052.998 where: short stacking energy: -862.271 Base-Backbone interact. energy: -2.934 local terms energy: -890.810394 where: bonds (distance) C4'-P energy: -160.123 bonds (distance) P-C4' energy: -158.841 flat angles C4'-P-C4' energy: -190.085 flat angles P-C4'-P energy: -140.066 tors. eta vs tors. theta energy: -241.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2858.915570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.915570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.915570 (E_RNA) where: Base-Base interactions energy: -2001.358 where: short stacking energy: -851.513 Base-Backbone interact. energy: -2.421 local terms energy: -855.135765 where: bonds (distance) C4'-P energy: -138.523 bonds (distance) P-C4' energy: -164.365 flat angles C4'-P-C4' energy: -190.555 flat angles P-C4'-P energy: -113.430 tors. eta vs tors. theta energy: -248.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2710.193706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.193706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.193706 (E_RNA) where: Base-Base interactions energy: -1902.147 where: short stacking energy: -803.646 Base-Backbone interact. energy: -1.585 local terms energy: -806.462039 where: bonds (distance) C4'-P energy: -154.596 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -176.039 flat angles P-C4'-P energy: -117.704 tors. eta vs tors. theta energy: -218.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2609.280127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.280127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.280127 (E_RNA) where: Base-Base interactions energy: -1788.861 where: short stacking energy: -771.140 Base-Backbone interact. energy: -3.466 local terms energy: -816.952979 where: bonds (distance) C4'-P energy: -157.020 bonds (distance) P-C4' energy: -165.848 flat angles C4'-P-C4' energy: -159.740 flat angles P-C4'-P energy: -116.626 tors. eta vs tors. theta energy: -217.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2464.116684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.116684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.116684 (E_RNA) where: Base-Base interactions energy: -1730.356 where: short stacking energy: -706.116 Base-Backbone interact. energy: 3.829 local terms energy: -737.589874 where: bonds (distance) C4'-P energy: -128.462 bonds (distance) P-C4' energy: -148.189 flat angles C4'-P-C4' energy: -165.503 flat angles P-C4'-P energy: -113.920 tors. eta vs tors. theta energy: -181.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2278.735248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.735248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.735248 (E_RNA) where: Base-Base interactions energy: -1586.457 where: short stacking energy: -699.624 Base-Backbone interact. energy: -0.978 local terms energy: -691.300498 where: bonds (distance) C4'-P energy: -124.765 bonds (distance) P-C4' energy: -134.538 flat angles C4'-P-C4' energy: -154.286 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -180.332 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: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1829.114675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.114675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.114675 (E_RNA) where: Base-Base interactions energy: -1221.668 where: short stacking energy: -558.008 Base-Backbone interact. energy: -2.421 local terms energy: -605.026168 where: bonds (distance) C4'-P energy: -122.728 bonds (distance) P-C4' energy: -148.774 flat angles C4'-P-C4' energy: -151.601 flat angles P-C4'-P energy: -76.730 tors. eta vs tors. theta energy: -105.195 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: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1442.005591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.005591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.005591 (E_RNA) where: Base-Base interactions energy: -896.519 where: short stacking energy: -421.460 Base-Backbone interact. energy: 0.856 local terms energy: -546.342587 where: bonds (distance) C4'-P energy: -144.021 bonds (distance) P-C4' energy: -142.920 flat angles C4'-P-C4' energy: -142.494 flat angles P-C4'-P energy: -64.042 tors. eta vs tors. theta energy: -52.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1061.497237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.497237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.497237 (E_RNA) where: Base-Base interactions energy: -594.271 where: short stacking energy: -320.888 Base-Backbone interact. energy: -1.515 local terms energy: -465.711232 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -140.254 flat angles C4'-P-C4' energy: -112.078 flat angles P-C4'-P energy: -55.756 tors. eta vs tors. theta energy: -30.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3091.736227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.736227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.736227 (E_RNA) where: Base-Base interactions energy: -2162.802 where: short stacking energy: -950.683 Base-Backbone interact. energy: -2.445 local terms energy: -926.488725 where: bonds (distance) C4'-P energy: -172.127 bonds (distance) P-C4' energy: -165.328 flat angles C4'-P-C4' energy: -192.185 flat angles P-C4'-P energy: -125.730 tors. eta vs tors. theta energy: -271.119 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: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2945.980462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.980462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.980462 (E_RNA) where: Base-Base interactions energy: -2060.634 where: short stacking energy: -872.269 Base-Backbone interact. energy: -5.173 local terms energy: -880.173721 where: bonds (distance) C4'-P energy: -160.852 bonds (distance) P-C4' energy: -150.998 flat angles C4'-P-C4' energy: -194.773 flat angles P-C4'-P energy: -132.996 tors. eta vs tors. theta energy: -240.555 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: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2866.049019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.049019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.049019 (E_RNA) where: Base-Base interactions energy: -2021.081 where: short stacking energy: -848.251 Base-Backbone interact. energy: 1.791 local terms energy: -846.758821 where: bonds (distance) C4'-P energy: -149.649 bonds (distance) P-C4' energy: -157.033 flat angles C4'-P-C4' energy: -194.859 flat angles P-C4'-P energy: -104.170 tors. eta vs tors. theta energy: -241.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2729.621521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.621521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.621521 (E_RNA) where: Base-Base interactions energy: -1908.800 where: short stacking energy: -801.209 Base-Backbone interact. energy: -0.632 local terms energy: -820.189540 where: bonds (distance) C4'-P energy: -130.619 bonds (distance) P-C4' energy: -158.505 flat angles C4'-P-C4' energy: -195.917 flat angles P-C4'-P energy: -108.131 tors. eta vs tors. theta energy: -227.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2627.754567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.754567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.754567 (E_RNA) where: Base-Base interactions energy: -1824.790 where: short stacking energy: -774.918 Base-Backbone interact. energy: -3.412 local terms energy: -799.552414 where: bonds (distance) C4'-P energy: -141.085 bonds (distance) P-C4' energy: -166.130 flat angles C4'-P-C4' energy: -172.324 flat angles P-C4'-P energy: -108.425 tors. eta vs tors. theta energy: -211.589 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: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2444.881073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.881073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.881073 (E_RNA) where: Base-Base interactions energy: -1702.666 where: short stacking energy: -711.027 Base-Backbone interact. energy: -2.867 local terms energy: -739.348251 where: bonds (distance) C4'-P energy: -144.577 bonds (distance) P-C4' energy: -146.417 flat angles C4'-P-C4' energy: -160.176 flat angles P-C4'-P energy: -107.105 tors. eta vs tors. theta energy: -181.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2268.284832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.284832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.284832 (E_RNA) where: Base-Base interactions energy: -1565.186 where: short stacking energy: -673.242 Base-Backbone interact. energy: -2.065 local terms energy: -701.034320 where: bonds (distance) C4'-P energy: -123.294 bonds (distance) P-C4' energy: -136.900 flat angles C4'-P-C4' energy: -163.724 flat angles P-C4'-P energy: -97.530 tors. eta vs tors. theta energy: -179.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1842.053920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.053920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.053920 (E_RNA) where: Base-Base interactions energy: -1231.447 where: short stacking energy: -549.796 Base-Backbone interact. energy: 3.075 local terms energy: -613.682822 where: bonds (distance) C4'-P energy: -123.837 bonds (distance) P-C4' energy: -146.225 flat angles C4'-P-C4' energy: -157.175 flat angles P-C4'-P energy: -70.822 tors. eta vs tors. theta energy: -115.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1460.411828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.411828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.411828 (E_RNA) where: Base-Base interactions energy: -932.426 where: short stacking energy: -415.815 Base-Backbone interact. energy: 0.174 local terms energy: -528.159649 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -137.451 flat angles C4'-P-C4' energy: -121.491 flat angles P-C4'-P energy: -79.978 tors. eta vs tors. theta energy: -66.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1178.143204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.143204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.143204 (E_RNA) where: Base-Base interactions energy: -662.687 where: short stacking energy: -329.672 Base-Backbone interact. energy: 7.653 local terms energy: -523.108854 where: bonds (distance) C4'-P energy: -142.171 bonds (distance) P-C4' energy: -129.447 flat angles C4'-P-C4' energy: -125.723 flat angles P-C4'-P energy: -88.497 tors. eta vs tors. theta energy: -37.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3081.328532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.328532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.328532 (E_RNA) where: Base-Base interactions energy: -2136.067 where: short stacking energy: -932.822 Base-Backbone interact. energy: -4.105 local terms energy: -941.156925 where: bonds (distance) C4'-P energy: -172.808 bonds (distance) P-C4' energy: -157.716 flat angles C4'-P-C4' energy: -192.446 flat angles P-C4'-P energy: -137.612 tors. eta vs tors. theta energy: -280.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2941.001145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.001145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.001145 (E_RNA) where: Base-Base interactions energy: -2090.811 where: short stacking energy: -874.542 Base-Backbone interact. energy: -4.864 local terms energy: -845.326051 where: bonds (distance) C4'-P energy: -148.406 bonds (distance) P-C4' energy: -170.634 flat angles C4'-P-C4' energy: -173.979 flat angles P-C4'-P energy: -114.891 tors. eta vs tors. theta energy: -237.416 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: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2877.487891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.487891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.487891 (E_RNA) where: Base-Base interactions energy: -2010.226 where: short stacking energy: -844.282 Base-Backbone interact. energy: -1.378 local terms energy: -865.883732 where: bonds (distance) C4'-P energy: -149.480 bonds (distance) P-C4' energy: -162.953 flat angles C4'-P-C4' energy: -182.850 flat angles P-C4'-P energy: -123.845 tors. eta vs tors. theta energy: -246.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2721.118757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.118757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.118757 (E_RNA) where: Base-Base interactions energy: -1899.066 where: short stacking energy: -803.479 Base-Backbone interact. energy: -5.538 local terms energy: -816.514328 where: bonds (distance) C4'-P energy: -133.786 bonds (distance) P-C4' energy: -177.166 flat angles C4'-P-C4' energy: -173.140 flat angles P-C4'-P energy: -116.116 tors. eta vs tors. theta energy: -216.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2607.978527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.978527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.978527 (E_RNA) where: Base-Base interactions energy: -1815.186 where: short stacking energy: -783.045 Base-Backbone interact. energy: 0.521 local terms energy: -793.314102 where: bonds (distance) C4'-P energy: -136.968 bonds (distance) P-C4' energy: -168.835 flat angles C4'-P-C4' energy: -170.895 flat angles P-C4'-P energy: -102.130 tors. eta vs tors. theta energy: -214.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2391.757728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.757728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.757728 (E_RNA) where: Base-Base interactions energy: -1630.180 where: short stacking energy: -685.107 Base-Backbone interact. energy: -3.430 local terms energy: -758.147374 where: bonds (distance) C4'-P energy: -146.788 bonds (distance) P-C4' energy: -171.650 flat angles C4'-P-C4' energy: -166.993 flat angles P-C4'-P energy: -97.770 tors. eta vs tors. theta energy: -174.946 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: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2225.370186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.370186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.370186 (E_RNA) where: Base-Base interactions energy: -1522.765 where: short stacking energy: -635.446 Base-Backbone interact. energy: -2.268 local terms energy: -700.337700 where: bonds (distance) C4'-P energy: -145.744 bonds (distance) P-C4' energy: -149.404 flat angles C4'-P-C4' energy: -148.897 flat angles P-C4'-P energy: -79.882 tors. eta vs tors. theta energy: -176.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1946.102133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.102133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.102133 (E_RNA) where: Base-Base interactions energy: -1284.308 where: short stacking energy: -569.620 Base-Backbone interact. energy: -2.987 local terms energy: -658.806911 where: bonds (distance) C4'-P energy: -151.117 bonds (distance) P-C4' energy: -144.075 flat angles C4'-P-C4' energy: -158.742 flat angles P-C4'-P energy: -96.732 tors. eta vs tors. theta energy: -108.141 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: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1504.352801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.352801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.352801 (E_RNA) where: Base-Base interactions energy: -939.920 where: short stacking energy: -420.981 Base-Backbone interact. energy: -0.654 local terms energy: -563.779001 where: bonds (distance) C4'-P energy: -148.479 bonds (distance) P-C4' energy: -142.284 flat angles C4'-P-C4' energy: -143.009 flat angles P-C4'-P energy: -74.050 tors. eta vs tors. theta energy: -55.956 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: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1114.438974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.438974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.438974 (E_RNA) where: Base-Base interactions energy: -639.578 where: short stacking energy: -337.399 Base-Backbone interact. energy: 1.225 local terms energy: -476.086043 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -144.329 flat angles C4'-P-C4' energy: -113.525 flat angles P-C4'-P energy: -75.255 tors. eta vs tors. theta energy: -32.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3080.140636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.140636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.140636 (E_RNA) where: Base-Base interactions energy: -2148.611 where: short stacking energy: -935.532 Base-Backbone interact. energy: -7.316 local terms energy: -924.213408 where: bonds (distance) C4'-P energy: -164.454 bonds (distance) P-C4' energy: -158.722 flat angles C4'-P-C4' energy: -199.018 flat angles P-C4'-P energy: -126.091 tors. eta vs tors. theta energy: -275.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2967.064640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.064640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.064640 (E_RNA) where: Base-Base interactions energy: -2090.523 where: short stacking energy: -907.186 Base-Backbone interact. energy: 1.282 local terms energy: -877.824288 where: bonds (distance) C4'-P energy: -161.467 bonds (distance) P-C4' energy: -167.945 flat angles C4'-P-C4' energy: -188.252 flat angles P-C4'-P energy: -116.633 tors. eta vs tors. theta energy: -243.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2825.439933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.439933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.439933 (E_RNA) where: Base-Base interactions energy: -1964.792 where: short stacking energy: -828.476 Base-Backbone interact. energy: -0.697 local terms energy: -859.950311 where: bonds (distance) C4'-P energy: -152.714 bonds (distance) P-C4' energy: -161.348 flat angles C4'-P-C4' energy: -184.607 flat angles P-C4'-P energy: -124.262 tors. eta vs tors. theta energy: -237.019 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: 4, replica: 10 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2759.563391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.563391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.563391 (E_RNA) where: Base-Base interactions energy: -1918.067 where: short stacking energy: -793.378 Base-Backbone interact. energy: 0.299 local terms energy: -841.795896 where: bonds (distance) C4'-P energy: -160.609 bonds (distance) P-C4' energy: -158.910 flat angles C4'-P-C4' energy: -175.288 flat angles P-C4'-P energy: -112.255 tors. eta vs tors. theta energy: -234.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2575.351794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.351794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.351794 (E_RNA) where: Base-Base interactions energy: -1776.190 where: short stacking energy: -757.837 Base-Backbone interact. energy: -2.889 local terms energy: -796.272724 where: bonds (distance) C4'-P energy: -140.895 bonds (distance) P-C4' energy: -159.137 flat angles C4'-P-C4' energy: -171.901 flat angles P-C4'-P energy: -117.109 tors. eta vs tors. theta energy: -207.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2420.373705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.373705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.373705 (E_RNA) where: Base-Base interactions energy: -1651.535 where: short stacking energy: -687.214 Base-Backbone interact. energy: -2.676 local terms energy: -766.163240 where: bonds (distance) C4'-P energy: -151.704 bonds (distance) P-C4' energy: -141.238 flat angles C4'-P-C4' energy: -176.516 flat angles P-C4'-P energy: -102.525 tors. eta vs tors. theta energy: -194.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2234.809980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.809980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.809980 (E_RNA) where: Base-Base interactions energy: -1534.556 where: short stacking energy: -654.171 Base-Backbone interact. energy: -3.618 local terms energy: -696.636422 where: bonds (distance) C4'-P energy: -132.736 bonds (distance) P-C4' energy: -148.577 flat angles C4'-P-C4' energy: -158.447 flat angles P-C4'-P energy: -91.561 tors. eta vs tors. theta energy: -165.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1940.744861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.744861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.744861 (E_RNA) where: Base-Base interactions energy: -1285.057 where: short stacking energy: -532.877 Base-Backbone interact. energy: -4.110 local terms energy: -651.577760 where: bonds (distance) C4'-P energy: -137.222 bonds (distance) P-C4' energy: -157.082 flat angles C4'-P-C4' energy: -145.129 flat angles P-C4'-P energy: -88.310 tors. eta vs tors. theta energy: -123.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1432.811341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.811341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.811341 (E_RNA) where: Base-Base interactions energy: -880.988 where: short stacking energy: -396.233 Base-Backbone interact. energy: 1.600 local terms energy: -553.422632 where: bonds (distance) C4'-P energy: -121.099 bonds (distance) P-C4' energy: -147.054 flat angles C4'-P-C4' energy: -135.856 flat angles P-C4'-P energy: -78.141 tors. eta vs tors. theta energy: -71.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1130.714498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.714498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.714498 (E_RNA) where: Base-Base interactions energy: -640.470 where: short stacking energy: -334.972 Base-Backbone interact. energy: -3.703 local terms energy: -486.540971 where: bonds (distance) C4'-P energy: -121.176 bonds (distance) P-C4' energy: -142.575 flat angles C4'-P-C4' energy: -112.678 flat angles P-C4'-P energy: -83.598 tors. eta vs tors. theta energy: -26.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3087.320038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.320038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.320038 (E_RNA) where: Base-Base interactions energy: -2155.405 where: short stacking energy: -927.797 Base-Backbone interact. energy: -2.738 local terms energy: -929.176989 where: bonds (distance) C4'-P energy: -165.405 bonds (distance) P-C4' energy: -166.514 flat angles C4'-P-C4' energy: -194.507 flat angles P-C4'-P energy: -124.396 tors. eta vs tors. theta energy: -278.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2947.708501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.708501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.708501 (E_RNA) where: Base-Base interactions energy: -2068.826 where: short stacking energy: -856.453 Base-Backbone interact. energy: -3.100 local terms energy: -875.783364 where: bonds (distance) C4'-P energy: -159.209 bonds (distance) P-C4' energy: -166.685 flat angles C4'-P-C4' energy: -195.561 flat angles P-C4'-P energy: -122.093 tors. eta vs tors. theta energy: -232.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2862.051882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.051882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.051882 (E_RNA) where: Base-Base interactions energy: -1990.745 where: short stacking energy: -829.238 Base-Backbone interact. energy: -0.980 local terms energy: -870.327624 where: bonds (distance) C4'-P energy: -162.149 bonds (distance) P-C4' energy: -182.221 flat angles C4'-P-C4' energy: -173.595 flat angles P-C4'-P energy: -120.315 tors. eta vs tors. theta energy: -232.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2770.276748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.276748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.276748 (E_RNA) where: Base-Base interactions energy: -1941.209 where: short stacking energy: -809.851 Base-Backbone interact. energy: -2.355 local terms energy: -826.712792 where: bonds (distance) C4'-P energy: -152.699 bonds (distance) P-C4' energy: -152.654 flat angles C4'-P-C4' energy: -180.284 flat angles P-C4'-P energy: -115.313 tors. eta vs tors. theta energy: -225.763 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: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2598.002929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.002929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.002929 (E_RNA) where: Base-Base interactions energy: -1809.163 where: short stacking energy: -791.062 Base-Backbone interact. energy: -0.331 local terms energy: -788.509269 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -139.708 flat angles C4'-P-C4' energy: -172.555 flat angles P-C4'-P energy: -97.968 tors. eta vs tors. theta energy: -235.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2381.434990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.434990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.434990 (E_RNA) where: Base-Base interactions energy: -1651.905 where: short stacking energy: -671.638 Base-Backbone interact. energy: -5.454 local terms energy: -724.075899 where: bonds (distance) C4'-P energy: -147.819 bonds (distance) P-C4' energy: -147.561 flat angles C4'-P-C4' energy: -160.773 flat angles P-C4'-P energy: -104.106 tors. eta vs tors. theta energy: -163.817 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: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2201.624979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.624979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.624979 (E_RNA) where: Base-Base interactions energy: -1508.609 where: short stacking energy: -643.000 Base-Backbone interact. energy: 0.838 local terms energy: -693.854617 where: bonds (distance) C4'-P energy: -128.733 bonds (distance) P-C4' energy: -151.530 flat angles C4'-P-C4' energy: -154.805 flat angles P-C4'-P energy: -106.910 tors. eta vs tors. theta energy: -151.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1895.346542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.346542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.346542 (E_RNA) where: Base-Base interactions energy: -1255.048 where: short stacking energy: -525.402 Base-Backbone interact. energy: -2.385 local terms energy: -637.913197 where: bonds (distance) C4'-P energy: -133.992 bonds (distance) P-C4' energy: -138.980 flat angles C4'-P-C4' energy: -152.311 flat angles P-C4'-P energy: -91.495 tors. eta vs tors. theta energy: -121.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1468.243289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.243289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.243289 (E_RNA) where: Base-Base interactions energy: -914.247 where: short stacking energy: -411.356 Base-Backbone interact. energy: -5.156 local terms energy: -548.839973 where: bonds (distance) C4'-P energy: -114.482 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -141.409 flat angles P-C4'-P energy: -89.626 tors. eta vs tors. theta energy: -60.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1071.653235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.653235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.653235 (E_RNA) where: Base-Base interactions energy: -557.388 where: short stacking energy: -320.837 Base-Backbone interact. energy: 2.901 local terms energy: -517.166182 where: bonds (distance) C4'-P energy: -146.596 bonds (distance) P-C4' energy: -136.326 flat angles C4'-P-C4' energy: -126.121 flat angles P-C4'-P energy: -81.227 tors. eta vs tors. theta energy: -26.896 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: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3103.906729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.906729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.906729 (E_RNA) where: Base-Base interactions energy: -2143.684 where: short stacking energy: -942.452 Base-Backbone interact. energy: -3.391 local terms energy: -956.831222 where: bonds (distance) C4'-P energy: -182.887 bonds (distance) P-C4' energy: -170.436 flat angles C4'-P-C4' energy: -188.962 flat angles P-C4'-P energy: -146.217 tors. eta vs tors. theta energy: -268.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2920.274728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.274728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.274728 (E_RNA) where: Base-Base interactions energy: -2034.037 where: short stacking energy: -864.663 Base-Backbone interact. energy: -5.759 local terms energy: -880.478991 where: bonds (distance) C4'-P energy: -172.919 bonds (distance) P-C4' energy: -144.326 flat angles C4'-P-C4' energy: -188.322 flat angles P-C4'-P energy: -130.679 tors. eta vs tors. theta energy: -244.233 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: 3, replica: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2820.337835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.337835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.337835 (E_RNA) where: Base-Base interactions energy: -1948.640 where: short stacking energy: -824.937 Base-Backbone interact. energy: -4.393 local terms energy: -867.305284 where: bonds (distance) C4'-P energy: -162.682 bonds (distance) P-C4' energy: -165.373 flat angles C4'-P-C4' energy: -182.075 flat angles P-C4'-P energy: -115.611 tors. eta vs tors. theta energy: -241.564 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: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2793.155020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.155020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.155020 (E_RNA) where: Base-Base interactions energy: -1943.504 where: short stacking energy: -817.250 Base-Backbone interact. energy: -5.115 local terms energy: -844.536249 where: bonds (distance) C4'-P energy: -161.513 bonds (distance) P-C4' energy: -150.980 flat angles C4'-P-C4' energy: -183.778 flat angles P-C4'-P energy: -116.064 tors. eta vs tors. theta energy: -232.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2629.965914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.965914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.965914 (E_RNA) where: Base-Base interactions energy: -1810.523 where: short stacking energy: -807.899 Base-Backbone interact. energy: -0.220 local terms energy: -819.222834 where: bonds (distance) C4'-P energy: -123.502 bonds (distance) P-C4' energy: -137.505 flat angles C4'-P-C4' energy: -185.256 flat angles P-C4'-P energy: -128.357 tors. eta vs tors. theta energy: -244.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2338.927183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.927183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.927183 (E_RNA) where: Base-Base interactions energy: -1607.522 where: short stacking energy: -664.923 Base-Backbone interact. energy: -3.019 local terms energy: -728.386312 where: bonds (distance) C4'-P energy: -151.143 bonds (distance) P-C4' energy: -151.907 flat angles C4'-P-C4' energy: -162.024 flat angles P-C4'-P energy: -96.103 tors. eta vs tors. theta energy: -167.209 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: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2170.404688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.404688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.404688 (E_RNA) where: Base-Base interactions energy: -1494.128 where: short stacking energy: -648.575 Base-Backbone interact. energy: -5.404 local terms energy: -670.872852 where: bonds (distance) C4'-P energy: -124.394 bonds (distance) P-C4' energy: -130.613 flat angles C4'-P-C4' energy: -153.683 flat angles P-C4'-P energy: -105.477 tors. eta vs tors. theta energy: -156.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1931.543503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.543503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.543503 (E_RNA) where: Base-Base interactions energy: -1278.712 where: short stacking energy: -579.140 Base-Backbone interact. energy: -2.249 local terms energy: -650.582415 where: bonds (distance) C4'-P energy: -123.760 bonds (distance) P-C4' energy: -137.842 flat angles C4'-P-C4' energy: -155.435 flat angles P-C4'-P energy: -96.679 tors. eta vs tors. theta energy: -136.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1461.517514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.517514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.517514 (E_RNA) where: Base-Base interactions energy: -938.015 where: short stacking energy: -418.768 Base-Backbone interact. energy: 6.202 local terms energy: -529.703819 where: bonds (distance) C4'-P energy: -125.406 bonds (distance) P-C4' energy: -140.533 flat angles C4'-P-C4' energy: -125.860 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -57.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1116.800891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.800891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.800891 (E_RNA) where: Base-Base interactions energy: -614.479 where: short stacking energy: -333.552 Base-Backbone interact. energy: 0.280 local terms energy: -502.601606 where: bonds (distance) C4'-P energy: -131.569 bonds (distance) P-C4' energy: -134.234 flat angles C4'-P-C4' energy: -111.007 flat angles P-C4'-P energy: -94.997 tors. eta vs tors. theta energy: -30.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3068.017513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.017513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.017513 (E_RNA) where: Base-Base interactions energy: -2126.885 where: short stacking energy: -902.070 Base-Backbone interact. energy: -2.602 local terms energy: -938.530250 where: bonds (distance) C4'-P energy: -174.600 bonds (distance) P-C4' energy: -160.697 flat angles C4'-P-C4' energy: -186.041 flat angles P-C4'-P energy: -139.009 tors. eta vs tors. theta energy: -278.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2926.434011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.434011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.434011 (E_RNA) where: Base-Base interactions energy: -2029.421 where: short stacking energy: -854.262 Base-Backbone interact. energy: -2.831 local terms energy: -894.182177 where: bonds (distance) C4'-P energy: -157.403 bonds (distance) P-C4' energy: -170.685 flat angles C4'-P-C4' energy: -194.071 flat angles P-C4'-P energy: -122.115 tors. eta vs tors. theta energy: -249.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2822.830891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.830891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.830891 (E_RNA) where: Base-Base interactions energy: -1958.916 where: short stacking energy: -843.691 Base-Backbone interact. energy: -2.047 local terms energy: -861.868032 where: bonds (distance) C4'-P energy: -149.091 bonds (distance) P-C4' energy: -150.282 flat angles C4'-P-C4' energy: -187.650 flat angles P-C4'-P energy: -130.595 tors. eta vs tors. theta energy: -244.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2825.037644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.037644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.037644 (E_RNA) where: Base-Base interactions energy: -1988.997 where: short stacking energy: -870.483 Base-Backbone interact. energy: -3.279 local terms energy: -832.761926 where: bonds (distance) C4'-P energy: -142.130 bonds (distance) P-C4' energy: -150.941 flat angles C4'-P-C4' energy: -188.666 flat angles P-C4'-P energy: -105.617 tors. eta vs tors. theta energy: -245.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2560.601059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.601059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.601059 (E_RNA) where: Base-Base interactions energy: -1795.680 where: short stacking energy: -777.791 Base-Backbone interact. energy: 1.505 local terms energy: -766.425727 where: bonds (distance) C4'-P energy: -134.999 bonds (distance) P-C4' energy: -140.072 flat angles C4'-P-C4' energy: -163.098 flat angles P-C4'-P energy: -110.888 tors. eta vs tors. theta energy: -217.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2335.096302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.096302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.096302 (E_RNA) where: Base-Base interactions energy: -1610.598 where: short stacking energy: -686.631 Base-Backbone interact. energy: 9.740 local terms energy: -734.237956 where: bonds (distance) C4'-P energy: -150.116 bonds (distance) P-C4' energy: -151.996 flat angles C4'-P-C4' energy: -153.044 flat angles P-C4'-P energy: -104.579 tors. eta vs tors. theta energy: -174.502 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: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2182.767461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.767461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.767461 (E_RNA) where: Base-Base interactions energy: -1437.002 where: short stacking energy: -655.133 Base-Backbone interact. energy: 3.360 local terms energy: -749.125760 where: bonds (distance) C4'-P energy: -133.247 bonds (distance) P-C4' energy: -151.733 flat angles C4'-P-C4' energy: -173.563 flat angles P-C4'-P energy: -122.075 tors. eta vs tors. theta energy: -168.507 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: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1929.673558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.673558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.673558 (E_RNA) where: Base-Base interactions energy: -1311.492 where: short stacking energy: -571.889 Base-Backbone interact. energy: -1.647 local terms energy: -616.534322 where: bonds (distance) C4'-P energy: -113.272 bonds (distance) P-C4' energy: -153.952 flat angles C4'-P-C4' energy: -145.193 flat angles P-C4'-P energy: -92.269 tors. eta vs tors. theta energy: -111.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1512.828555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.828555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.828555 (E_RNA) where: Base-Base interactions energy: -920.677 where: short stacking energy: -425.540 Base-Backbone interact. energy: 3.127 local terms energy: -595.277987 where: bonds (distance) C4'-P energy: -149.790 bonds (distance) P-C4' energy: -147.572 flat angles C4'-P-C4' energy: -145.451 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -79.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1144.083497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.083497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.083497 (E_RNA) where: Base-Base interactions energy: -643.373 where: short stacking energy: -337.017 Base-Backbone interact. energy: 0.451 local terms energy: -501.161349 where: bonds (distance) C4'-P energy: -114.971 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -145.480 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: -33.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3080.845944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.845944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.845944 (E_RNA) where: Base-Base interactions energy: -2160.602 where: short stacking energy: -926.798 Base-Backbone interact. energy: -0.123 local terms energy: -920.120427 where: bonds (distance) C4'-P energy: -155.932 bonds (distance) P-C4' energy: -160.377 flat angles C4'-P-C4' energy: -197.931 flat angles P-C4'-P energy: -132.892 tors. eta vs tors. theta energy: -272.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2910.692980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.692980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.692980 (E_RNA) where: Base-Base interactions energy: -2044.142 where: short stacking energy: -893.459 Base-Backbone interact. energy: -9.526 local terms energy: -857.025187 where: bonds (distance) C4'-P energy: -160.460 bonds (distance) P-C4' energy: -151.223 flat angles C4'-P-C4' energy: -188.297 flat angles P-C4'-P energy: -112.762 tors. eta vs tors. theta energy: -244.283 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: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2822.907036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.907036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.907036 (E_RNA) where: Base-Base interactions energy: -1938.775 where: short stacking energy: -842.218 Base-Backbone interact. energy: 0.080 local terms energy: -884.212087 where: bonds (distance) C4'-P energy: -164.736 bonds (distance) P-C4' energy: -163.443 flat angles C4'-P-C4' energy: -191.938 flat angles P-C4'-P energy: -117.942 tors. eta vs tors. theta energy: -246.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2749.919103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.919103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.919103 (E_RNA) where: Base-Base interactions energy: -1921.923 where: short stacking energy: -832.149 Base-Backbone interact. energy: -0.146 local terms energy: -827.850344 where: bonds (distance) C4'-P energy: -155.270 bonds (distance) P-C4' energy: -155.598 flat angles C4'-P-C4' energy: -167.603 flat angles P-C4'-P energy: -111.104 tors. eta vs tors. theta energy: -238.276 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: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2558.914519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.914519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.914519 (E_RNA) where: Base-Base interactions energy: -1757.729 where: short stacking energy: -786.665 Base-Backbone interact. energy: -1.928 local terms energy: -799.257333 where: bonds (distance) C4'-P energy: -144.693 bonds (distance) P-C4' energy: -162.592 flat angles C4'-P-C4' energy: -158.740 flat angles P-C4'-P energy: -115.732 tors. eta vs tors. theta energy: -217.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2308.291430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.291430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.291430 (E_RNA) where: Base-Base interactions energy: -1603.687 where: short stacking energy: -666.807 Base-Backbone interact. energy: -5.461 local terms energy: -699.143971 where: bonds (distance) C4'-P energy: -141.621 bonds (distance) P-C4' energy: -138.360 flat angles C4'-P-C4' energy: -164.745 flat angles P-C4'-P energy: -90.313 tors. eta vs tors. theta energy: -164.105 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: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2078.462309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.462309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.462309 (E_RNA) where: Base-Base interactions energy: -1395.132 where: short stacking energy: -616.259 Base-Backbone interact. energy: -2.948 local terms energy: -680.381897 where: bonds (distance) C4'-P energy: -156.824 bonds (distance) P-C4' energy: -152.417 flat angles C4'-P-C4' energy: -133.709 flat angles P-C4'-P energy: -102.262 tors. eta vs tors. theta energy: -135.170 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: 4 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1876.944775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.944775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.944775 (E_RNA) where: Base-Base interactions energy: -1258.320 where: short stacking energy: -572.682 Base-Backbone interact. energy: -1.449 local terms energy: -617.175745 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -120.051 flat angles C4'-P-C4' energy: -148.115 flat angles P-C4'-P energy: -95.744 tors. eta vs tors. theta energy: -125.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1487.486796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.486796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.486796 (E_RNA) where: Base-Base interactions energy: -941.013 where: short stacking energy: -452.914 Base-Backbone interact. energy: 2.252 local terms energy: -548.725908 where: bonds (distance) C4'-P energy: -107.749 bonds (distance) P-C4' energy: -147.151 flat angles C4'-P-C4' energy: -148.334 flat angles P-C4'-P energy: -68.155 tors. eta vs tors. theta energy: -77.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1211.190198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.190198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.190198 (E_RNA) where: Base-Base interactions energy: -690.597 where: short stacking energy: -350.084 Base-Backbone interact. energy: -2.406 local terms energy: -518.187285 where: bonds (distance) C4'-P energy: -132.992 bonds (distance) P-C4' energy: -131.755 flat angles C4'-P-C4' energy: -128.886 flat angles P-C4'-P energy: -83.430 tors. eta vs tors. theta energy: -41.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3075.829803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.829803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.829803 (E_RNA) where: Base-Base interactions energy: -2171.365 where: short stacking energy: -955.039 Base-Backbone interact. energy: -3.346 local terms energy: -901.119397 where: bonds (distance) C4'-P energy: -154.483 bonds (distance) P-C4' energy: -162.438 flat angles C4'-P-C4' energy: -188.866 flat angles P-C4'-P energy: -135.867 tors. eta vs tors. theta energy: -259.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2957.320125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.320125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.320125 (E_RNA) where: Base-Base interactions energy: -2068.199 where: short stacking energy: -884.060 Base-Backbone interact. energy: -4.934 local terms energy: -884.187707 where: bonds (distance) C4'-P energy: -169.069 bonds (distance) P-C4' energy: -161.515 flat angles C4'-P-C4' energy: -192.230 flat angles P-C4'-P energy: -121.647 tors. eta vs tors. theta energy: -239.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2795.706990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.706990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.706990 (E_RNA) where: Base-Base interactions energy: -1914.804 where: short stacking energy: -815.484 Base-Backbone interact. energy: -3.124 local terms energy: -877.779436 where: bonds (distance) C4'-P energy: -163.605 bonds (distance) P-C4' energy: -176.021 flat angles C4'-P-C4' energy: -181.089 flat angles P-C4'-P energy: -125.663 tors. eta vs tors. theta energy: -231.401 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: 4, replica: 3 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2752.798089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.798089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.798089 (E_RNA) where: Base-Base interactions energy: -1939.501 where: short stacking energy: -806.702 Base-Backbone interact. energy: -0.361 local terms energy: -812.935396 where: bonds (distance) C4'-P energy: -152.618 bonds (distance) P-C4' energy: -151.574 flat angles C4'-P-C4' energy: -172.641 flat angles P-C4'-P energy: -106.048 tors. eta vs tors. theta energy: -230.055 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: 475 Temperature: 1.100000 Total energy: -2576.767706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.767706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.767706 (E_RNA) where: Base-Base interactions energy: -1746.466 where: short stacking energy: -763.491 Base-Backbone interact. energy: -2.934 local terms energy: -827.367785 where: bonds (distance) C4'-P energy: -156.844 bonds (distance) P-C4' energy: -161.331 flat angles C4'-P-C4' energy: -179.817 flat angles P-C4'-P energy: -116.178 tors. eta vs tors. theta energy: -213.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2383.590389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.590389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.590389 (E_RNA) where: Base-Base interactions energy: -1641.734 where: short stacking energy: -703.194 Base-Backbone interact. energy: -3.580 local terms energy: -738.275851 where: bonds (distance) C4'-P energy: -149.639 bonds (distance) P-C4' energy: -141.985 flat angles C4'-P-C4' energy: -171.849 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -182.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2103.608834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.608834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.608834 (E_RNA) where: Base-Base interactions energy: -1410.907 where: short stacking energy: -607.611 Base-Backbone interact. energy: -2.950 local terms energy: -689.751371 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -114.019 flat angles C4'-P-C4' energy: -166.524 flat angles P-C4'-P energy: -103.098 tors. eta vs tors. theta energy: -154.570 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: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1921.450577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.450577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.450577 (E_RNA) where: Base-Base interactions energy: -1267.098 where: short stacking energy: -549.163 Base-Backbone interact. energy: -4.812 local terms energy: -649.540022 where: bonds (distance) C4'-P energy: -129.634 bonds (distance) P-C4' energy: -176.647 flat angles C4'-P-C4' energy: -144.267 flat angles P-C4'-P energy: -75.120 tors. eta vs tors. theta energy: -123.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1488.424681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.424681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.424681 (E_RNA) where: Base-Base interactions energy: -971.069 where: short stacking energy: -427.691 Base-Backbone interact. energy: -0.174 local terms energy: -517.181296 where: bonds (distance) C4'-P energy: -103.706 bonds (distance) P-C4' energy: -120.167 flat angles C4'-P-C4' energy: -139.095 flat angles P-C4'-P energy: -90.391 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: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1161.079265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.079265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.079265 (E_RNA) where: Base-Base interactions energy: -698.013 where: short stacking energy: -326.864 Base-Backbone interact. energy: 1.884 local terms energy: -464.950614 where: bonds (distance) C4'-P energy: -149.314 bonds (distance) P-C4' energy: -129.803 flat angles C4'-P-C4' energy: -102.765 flat angles P-C4'-P energy: -48.249 tors. eta vs tors. theta energy: -34.818 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: 1, replica: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3107.727728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.727728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.727728 (E_RNA) where: Base-Base interactions energy: -2150.355 where: short stacking energy: -937.474 Base-Backbone interact. energy: 0.587 local terms energy: -957.959784 where: bonds (distance) C4'-P energy: -166.261 bonds (distance) P-C4' energy: -178.938 flat angles C4'-P-C4' energy: -199.171 flat angles P-C4'-P energy: -137.621 tors. eta vs tors. theta energy: -275.968 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: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2940.789012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.789012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.789012 (E_RNA) where: Base-Base interactions energy: -2056.433 where: short stacking energy: -898.926 Base-Backbone interact. energy: -4.848 local terms energy: -879.507850 where: bonds (distance) C4'-P energy: -156.582 bonds (distance) P-C4' energy: -170.225 flat angles C4'-P-C4' energy: -186.880 flat angles P-C4'-P energy: -111.826 tors. eta vs tors. theta energy: -253.994 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: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2777.473219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.473219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.473219 (E_RNA) where: Base-Base interactions energy: -1928.265 where: short stacking energy: -823.790 Base-Backbone interact. energy: -2.418 local terms energy: -846.790686 where: bonds (distance) C4'-P energy: -154.929 bonds (distance) P-C4' energy: -149.929 flat angles C4'-P-C4' energy: -173.186 flat angles P-C4'-P energy: -124.459 tors. eta vs tors. theta energy: -244.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2757.496698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.496698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.496698 (E_RNA) where: Base-Base interactions energy: -1952.060 where: short stacking energy: -809.242 Base-Backbone interact. energy: -3.667 local terms energy: -801.770343 where: bonds (distance) C4'-P energy: -142.124 bonds (distance) P-C4' energy: -140.448 flat angles C4'-P-C4' energy: -182.319 flat angles P-C4'-P energy: -102.978 tors. eta vs tors. theta energy: -233.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2585.200562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.200562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.200562 (E_RNA) where: Base-Base interactions energy: -1782.527 where: short stacking energy: -785.229 Base-Backbone interact. energy: -1.234 local terms energy: -801.439003 where: bonds (distance) C4'-P energy: -137.193 bonds (distance) P-C4' energy: -159.928 flat angles C4'-P-C4' energy: -167.694 flat angles P-C4'-P energy: -120.412 tors. eta vs tors. theta energy: -216.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2422.249372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.249372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.249372 (E_RNA) where: Base-Base interactions energy: -1697.126 where: short stacking energy: -732.345 Base-Backbone interact. energy: 5.481 local terms energy: -730.604186 where: bonds (distance) C4'-P energy: -133.050 bonds (distance) P-C4' energy: -145.938 flat angles C4'-P-C4' energy: -164.811 flat angles P-C4'-P energy: -100.684 tors. eta vs tors. theta energy: -186.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2092.788015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.788015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.788015 (E_RNA) where: Base-Base interactions energy: -1425.745 where: short stacking energy: -604.516 Base-Backbone interact. energy: -3.615 local terms energy: -663.428081 where: bonds (distance) C4'-P energy: -127.253 bonds (distance) P-C4' energy: -141.795 flat angles C4'-P-C4' energy: -164.745 flat angles P-C4'-P energy: -82.768 tors. eta vs tors. theta energy: -146.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1842.174807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.174807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.174807 (E_RNA) where: Base-Base interactions energy: -1228.109 where: short stacking energy: -552.489 Base-Backbone interact. energy: -0.358 local terms energy: -613.707417 where: bonds (distance) C4'-P energy: -145.083 bonds (distance) P-C4' energy: -134.724 flat angles C4'-P-C4' energy: -136.140 flat angles P-C4'-P energy: -76.394 tors. eta vs tors. theta energy: -121.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1519.928802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.928802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.928802 (E_RNA) where: Base-Base interactions energy: -922.844 where: short stacking energy: -417.481 Base-Backbone interact. energy: -0.884 local terms energy: -596.201665 where: bonds (distance) C4'-P energy: -156.662 bonds (distance) P-C4' energy: -149.545 flat angles C4'-P-C4' energy: -140.012 flat angles P-C4'-P energy: -89.264 tors. eta vs tors. theta energy: -60.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1152.677875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.677875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.677875 (E_RNA) where: Base-Base interactions energy: -706.716 where: short stacking energy: -323.466 Base-Backbone interact. energy: -0.849 local terms energy: -445.113016 where: bonds (distance) C4'-P energy: -126.691 bonds (distance) P-C4' energy: -132.898 flat angles C4'-P-C4' energy: -115.201 flat angles P-C4'-P energy: -42.964 tors. eta vs tors. theta energy: -27.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3114.001951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.001951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.001951 (E_RNA) where: Base-Base interactions energy: -2152.353 where: short stacking energy: -936.295 Base-Backbone interact. energy: -2.617 local terms energy: -959.031455 where: bonds (distance) C4'-P energy: -167.443 bonds (distance) P-C4' energy: -176.135 flat angles C4'-P-C4' energy: -199.422 flat angles P-C4'-P energy: -139.552 tors. eta vs tors. theta energy: -276.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2935.107716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.107716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.107716 (E_RNA) where: Base-Base interactions energy: -2042.680 where: short stacking energy: -886.272 Base-Backbone interact. energy: -2.614 local terms energy: -889.813018 where: bonds (distance) C4'-P energy: -164.472 bonds (distance) P-C4' energy: -169.101 flat angles C4'-P-C4' energy: -181.713 flat angles P-C4'-P energy: -127.298 tors. eta vs tors. theta energy: -247.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2816.184177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.184177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.184177 (E_RNA) where: Base-Base interactions energy: -1966.562 where: short stacking energy: -836.669 Base-Backbone interact. energy: -2.538 local terms energy: -847.084206 where: bonds (distance) C4'-P energy: -152.248 bonds (distance) P-C4' energy: -158.557 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -123.030 tors. eta vs tors. theta energy: -233.446 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: 3 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2752.769343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.769343 (E_RNA) where: Base-Base interactions energy: -1932.451 where: short stacking energy: -802.419 Base-Backbone interact. energy: -2.320 local terms energy: -817.998516 where: bonds (distance) C4'-P energy: -156.817 bonds (distance) P-C4' energy: -147.314 flat angles C4'-P-C4' energy: -183.341 flat angles P-C4'-P energy: -97.456 tors. eta vs tors. theta energy: -233.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2573.352810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.352810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.352810 (E_RNA) where: Base-Base interactions energy: -1755.335 where: short stacking energy: -763.315 Base-Backbone interact. energy: -0.752 local terms energy: -817.265740 where: bonds (distance) C4'-P energy: -142.064 bonds (distance) P-C4' energy: -158.356 flat angles C4'-P-C4' energy: -189.889 flat angles P-C4'-P energy: -115.136 tors. eta vs tors. theta energy: -211.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2468.792947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.792947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.792947 (E_RNA) where: Base-Base interactions energy: -1754.605 where: short stacking energy: -736.961 Base-Backbone interact. energy: -1.232 local terms energy: -712.955638 where: bonds (distance) C4'-P energy: -123.866 bonds (distance) P-C4' energy: -131.136 flat angles C4'-P-C4' energy: -164.659 flat angles P-C4'-P energy: -107.309 tors. eta vs tors. theta energy: -185.985 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: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2097.016414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.016414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.016414 (E_RNA) where: Base-Base interactions energy: -1415.518 where: short stacking energy: -643.536 Base-Backbone interact. energy: -1.862 local terms energy: -679.636379 where: bonds (distance) C4'-P energy: -135.233 bonds (distance) P-C4' energy: -135.911 flat angles C4'-P-C4' energy: -144.283 flat angles P-C4'-P energy: -103.479 tors. eta vs tors. theta energy: -160.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1839.933621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.933621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.933621 (E_RNA) where: Base-Base interactions energy: -1243.438 where: short stacking energy: -558.142 Base-Backbone interact. energy: -0.411 local terms energy: -596.083832 where: bonds (distance) C4'-P energy: -146.814 bonds (distance) P-C4' energy: -130.701 flat angles C4'-P-C4' energy: -117.750 flat angles P-C4'-P energy: -83.000 tors. eta vs tors. theta energy: -117.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1439.690611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.690611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.690611 (E_RNA) where: Base-Base interactions energy: -933.416 where: short stacking energy: -435.812 Base-Backbone interact. energy: 3.073 local terms energy: -509.347818 where: bonds (distance) C4'-P energy: -132.178 bonds (distance) P-C4' energy: -129.804 flat angles C4'-P-C4' energy: -135.879 flat angles P-C4'-P energy: -62.785 tors. eta vs tors. theta energy: -48.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1118.354904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.354904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.354904 (E_RNA) where: Base-Base interactions energy: -668.581 where: short stacking energy: -342.213 Base-Backbone interact. energy: 3.264 local terms energy: -453.037774 where: bonds (distance) C4'-P energy: -121.732 bonds (distance) P-C4' energy: -122.219 flat angles C4'-P-C4' energy: -125.963 flat angles P-C4'-P energy: -69.724 tors. eta vs tors. theta energy: -13.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3091.769966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.769966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.769966 (E_RNA) where: Base-Base interactions energy: -2152.878 where: short stacking energy: -922.935 Base-Backbone interact. energy: -3.326 local terms energy: -935.565421 where: bonds (distance) C4'-P energy: -166.427 bonds (distance) P-C4' energy: -174.821 flat angles C4'-P-C4' energy: -195.250 flat angles P-C4'-P energy: -123.677 tors. eta vs tors. theta energy: -275.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2975.452381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.452381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.452381 (E_RNA) where: Base-Base interactions energy: -2084.762 where: short stacking energy: -880.147 Base-Backbone interact. energy: -4.086 local terms energy: -886.604411 where: bonds (distance) C4'-P energy: -160.023 bonds (distance) P-C4' energy: -163.859 flat angles C4'-P-C4' energy: -185.821 flat angles P-C4'-P energy: -122.470 tors. eta vs tors. theta energy: -254.431 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: 10 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2854.754670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.754670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.754670 (E_RNA) where: Base-Base interactions energy: -1986.780 where: short stacking energy: -843.263 Base-Backbone interact. energy: -2.377 local terms energy: -865.597764 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -172.395 flat angles C4'-P-C4' energy: -183.612 flat angles P-C4'-P energy: -109.913 tors. eta vs tors. theta energy: -245.763 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: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2733.625294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.625294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.625294 (E_RNA) where: Base-Base interactions energy: -1900.010 where: short stacking energy: -785.093 Base-Backbone interact. energy: -0.326 local terms energy: -833.289212 where: bonds (distance) C4'-P energy: -151.220 bonds (distance) P-C4' energy: -166.486 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -116.516 tors. eta vs tors. theta energy: -219.263 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: 478 Temperature: 1.100000 Total energy: -2630.537887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.537887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.537887 (E_RNA) where: Base-Base interactions energy: -1820.596 where: short stacking energy: -785.805 Base-Backbone interact. energy: -1.976 local terms energy: -807.965334 where: bonds (distance) C4'-P energy: -158.196 bonds (distance) P-C4' energy: -131.918 flat angles C4'-P-C4' energy: -168.892 flat angles P-C4'-P energy: -114.597 tors. eta vs tors. theta energy: -234.361 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: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2444.714852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.714852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.714852 (E_RNA) where: Base-Base interactions energy: -1713.234 where: short stacking energy: -698.148 Base-Backbone interact. energy: -3.657 local terms energy: -727.824537 where: bonds (distance) C4'-P energy: -145.883 bonds (distance) P-C4' energy: -142.126 flat angles C4'-P-C4' energy: -159.698 flat angles P-C4'-P energy: -91.581 tors. eta vs tors. theta energy: -188.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2117.304637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.304637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.304637 (E_RNA) where: Base-Base interactions energy: -1430.080 where: short stacking energy: -598.527 Base-Backbone interact. energy: -1.197 local terms energy: -686.027742 where: bonds (distance) C4'-P energy: -142.654 bonds (distance) P-C4' energy: -133.085 flat angles C4'-P-C4' energy: -163.360 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -155.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1946.560670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.560670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.560670 (E_RNA) where: Base-Base interactions energy: -1318.962 where: short stacking energy: -557.528 Base-Backbone interact. energy: -0.606 local terms energy: -626.992785 where: bonds (distance) C4'-P energy: -132.341 bonds (distance) P-C4' energy: -136.709 flat angles C4'-P-C4' energy: -159.469 flat angles P-C4'-P energy: -83.928 tors. eta vs tors. theta energy: -114.546 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: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1489.951600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.951600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.951600 (E_RNA) where: Base-Base interactions energy: -940.128 where: short stacking energy: -439.152 Base-Backbone interact. energy: -2.861 local terms energy: -546.962439 where: bonds (distance) C4'-P energy: -133.739 bonds (distance) P-C4' energy: -140.123 flat angles C4'-P-C4' energy: -119.413 flat angles P-C4'-P energy: -83.622 tors. eta vs tors. theta energy: -70.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1119.215254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.215254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.215254 (E_RNA) where: Base-Base interactions energy: -636.608 where: short stacking energy: -316.786 Base-Backbone interact. energy: -0.681 local terms energy: -481.925505 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -152.546 flat angles C4'-P-C4' energy: -127.840 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -8.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3115.130569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.130569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.130569 (E_RNA) where: Base-Base interactions energy: -2167.638 where: short stacking energy: -919.170 Base-Backbone interact. energy: -2.293 local terms energy: -945.199939 where: bonds (distance) C4'-P energy: -172.506 bonds (distance) P-C4' energy: -164.621 flat angles C4'-P-C4' energy: -191.763 flat angles P-C4'-P energy: -146.887 tors. eta vs tors. theta energy: -269.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -3000.217640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.217640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.217640 (E_RNA) where: Base-Base interactions energy: -2090.253 where: short stacking energy: -890.080 Base-Backbone interact. energy: -1.831 local terms energy: -908.133971 where: bonds (distance) C4'-P energy: -165.643 bonds (distance) P-C4' energy: -175.104 flat angles C4'-P-C4' energy: -194.397 flat angles P-C4'-P energy: -124.434 tors. eta vs tors. theta energy: -248.555 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: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2788.958582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.958582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.958582 (E_RNA) where: Base-Base interactions energy: -1922.506 where: short stacking energy: -810.939 Base-Backbone interact. energy: -5.563 local terms energy: -860.889888 where: bonds (distance) C4'-P energy: -153.366 bonds (distance) P-C4' energy: -180.821 flat angles C4'-P-C4' energy: -179.136 flat angles P-C4'-P energy: -113.168 tors. eta vs tors. theta energy: -234.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2735.012999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.012999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.012999 (E_RNA) where: Base-Base interactions energy: -1904.366 where: short stacking energy: -813.812 Base-Backbone interact. energy: -2.617 local terms energy: -828.029866 where: bonds (distance) C4'-P energy: -146.068 bonds (distance) P-C4' energy: -142.328 flat angles C4'-P-C4' energy: -199.656 flat angles P-C4'-P energy: -113.062 tors. eta vs tors. theta energy: -226.917 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: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2561.343191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.343191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.343191 (E_RNA) where: Base-Base interactions energy: -1753.941 where: short stacking energy: -770.916 Base-Backbone interact. energy: -3.402 local terms energy: -804.000544 where: bonds (distance) C4'-P energy: -139.470 bonds (distance) P-C4' energy: -149.882 flat angles C4'-P-C4' energy: -175.164 flat angles P-C4'-P energy: -133.016 tors. eta vs tors. theta energy: -206.468 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: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2421.038544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.038544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.038544 (E_RNA) where: Base-Base interactions energy: -1646.962 where: short stacking energy: -682.435 Base-Backbone interact. energy: -3.742 local terms energy: -770.334900 where: bonds (distance) C4'-P energy: -153.045 bonds (distance) P-C4' energy: -147.470 flat angles C4'-P-C4' energy: -169.016 flat angles P-C4'-P energy: -108.970 tors. eta vs tors. theta energy: -191.834 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: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2106.102449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.102449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.102449 (E_RNA) where: Base-Base interactions energy: -1373.348 where: short stacking energy: -593.292 Base-Backbone interact. energy: -2.023 local terms energy: -730.731612 where: bonds (distance) C4'-P energy: -153.922 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -152.828 flat angles P-C4'-P energy: -116.558 tors. eta vs tors. theta energy: -155.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1956.876785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.876785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.876785 (E_RNA) where: Base-Base interactions energy: -1337.014 where: short stacking energy: -593.689 Base-Backbone interact. energy: -0.791 local terms energy: -619.072581 where: bonds (distance) C4'-P energy: -129.616 bonds (distance) P-C4' energy: -133.068 flat angles C4'-P-C4' energy: -136.325 flat angles P-C4'-P energy: -68.698 tors. eta vs tors. theta energy: -151.365 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: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1437.741682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.741682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.741682 (E_RNA) where: Base-Base interactions energy: -902.885 where: short stacking energy: -440.544 Base-Backbone interact. energy: -1.668 local terms energy: -533.189268 where: bonds (distance) C4'-P energy: -141.929 bonds (distance) P-C4' energy: -132.839 flat angles C4'-P-C4' energy: -132.139 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -60.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1113.526976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.526976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.526976 (E_RNA) where: Base-Base interactions energy: -623.715 where: short stacking energy: -325.994 Base-Backbone interact. energy: 1.405 local terms energy: -491.216923 where: bonds (distance) C4'-P energy: -119.980 bonds (distance) P-C4' energy: -138.399 flat angles C4'-P-C4' energy: -139.129 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -19.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3107.291510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.291510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.291510 (E_RNA) where: Base-Base interactions energy: -2162.175 where: short stacking energy: -946.153 Base-Backbone interact. energy: -3.924 local terms energy: -941.193088 where: bonds (distance) C4'-P energy: -156.964 bonds (distance) P-C4' energy: -172.233 flat angles C4'-P-C4' energy: -184.536 flat angles P-C4'-P energy: -143.605 tors. eta vs tors. theta energy: -283.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -3049.167481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.167481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.167481 (E_RNA) where: Base-Base interactions energy: -2134.598 where: short stacking energy: -925.929 Base-Backbone interact. energy: 0.642 local terms energy: -915.211202 where: bonds (distance) C4'-P energy: -158.063 bonds (distance) P-C4' energy: -162.099 flat angles C4'-P-C4' energy: -196.864 flat angles P-C4'-P energy: -131.951 tors. eta vs tors. theta energy: -266.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2802.953979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.953979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.953979 (E_RNA) where: Base-Base interactions energy: -1955.494 where: short stacking energy: -830.384 Base-Backbone interact. energy: -3.498 local terms energy: -843.962344 where: bonds (distance) C4'-P energy: -163.433 bonds (distance) P-C4' energy: -159.574 flat angles C4'-P-C4' energy: -185.082 flat angles P-C4'-P energy: -101.091 tors. eta vs tors. theta energy: -234.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2751.480171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.480171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.480171 (E_RNA) where: Base-Base interactions energy: -1907.825 where: short stacking energy: -825.526 Base-Backbone interact. energy: -2.115 local terms energy: -841.540733 where: bonds (distance) C4'-P energy: -166.208 bonds (distance) P-C4' energy: -150.995 flat angles C4'-P-C4' energy: -173.280 flat angles P-C4'-P energy: -117.940 tors. eta vs tors. theta energy: -233.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2620.629441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.629441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.629441 (E_RNA) where: Base-Base interactions energy: -1803.562 where: short stacking energy: -784.406 Base-Backbone interact. energy: 0.240 local terms energy: -817.307583 where: bonds (distance) C4'-P energy: -153.235 bonds (distance) P-C4' energy: -154.851 flat angles C4'-P-C4' energy: -180.287 flat angles P-C4'-P energy: -100.663 tors. eta vs tors. theta energy: -228.271 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: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2407.099056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.099056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.099056 (E_RNA) where: Base-Base interactions energy: -1695.026 where: short stacking energy: -751.192 Base-Backbone interact. energy: -3.096 local terms energy: -708.976751 where: bonds (distance) C4'-P energy: -139.422 bonds (distance) P-C4' energy: -133.639 flat angles C4'-P-C4' energy: -157.675 flat angles P-C4'-P energy: -101.102 tors. eta vs tors. theta energy: -177.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2073.134954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.134954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.134954 (E_RNA) where: Base-Base interactions energy: -1400.238 where: short stacking energy: -613.587 Base-Backbone interact. energy: -3.075 local terms energy: -669.822580 where: bonds (distance) C4'-P energy: -146.442 bonds (distance) P-C4' energy: -129.882 flat angles C4'-P-C4' energy: -140.857 flat angles P-C4'-P energy: -100.099 tors. eta vs tors. theta energy: -152.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1920.052870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.052870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.052870 (E_RNA) where: Base-Base interactions energy: -1278.499 where: short stacking energy: -538.580 Base-Backbone interact. energy: -1.606 local terms energy: -639.947764 where: bonds (distance) C4'-P energy: -139.924 bonds (distance) P-C4' energy: -155.075 flat angles C4'-P-C4' energy: -138.116 flat angles P-C4'-P energy: -96.064 tors. eta vs tors. theta energy: -110.768 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: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1505.824935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.824935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.824935 (E_RNA) where: Base-Base interactions energy: -981.251 where: short stacking energy: -432.938 Base-Backbone interact. energy: -3.531 local terms energy: -521.043198 where: bonds (distance) C4'-P energy: -135.967 bonds (distance) P-C4' energy: -111.538 flat angles C4'-P-C4' energy: -137.163 flat angles P-C4'-P energy: -71.178 tors. eta vs tors. theta energy: -65.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1056.955323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.955323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.955323 (E_RNA) where: Base-Base interactions energy: -592.039 where: short stacking energy: -313.582 Base-Backbone interact. energy: 2.424 local terms energy: -467.340457 where: bonds (distance) C4'-P energy: -135.536 bonds (distance) P-C4' energy: -130.229 flat angles C4'-P-C4' energy: -99.226 flat angles P-C4'-P energy: -89.729 tors. eta vs tors. theta energy: -12.621 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)