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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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/U12-93432f4b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U12-93432f4b/inputs/seq.fa: 1 curr_seq: _GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGCGCUUAGGUGACCACAUGGAAACGACCCGGACCGUUAGACGGAACAAAGGACAAGGAUCACAAGUUCAAGACAAACACUGGCGCCCUAGCAAUGACUAGGUUGCGGCAAGCGCCACCGCAAACAAAAAAAUAGAAAAAAUGGAACAUAAAAGUCUGUAGUUGAAGCGACCGAA 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 177 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: 890 n_atoms_counter: 890 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 177.000000 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: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -715.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511970 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.000 local terms energy: -688.977508 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -148.658 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -865.899991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.899991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.899991 (E_RNA) where: Base-Base interactions energy: -360.220 where: short stacking energy: -360.220 Base-Backbone interact. energy: -0.415 local terms energy: -505.265644 where: bonds (distance) C4'-P energy: -110.358 bonds (distance) P-C4' energy: -110.422 flat angles C4'-P-C4' energy: -110.979 flat angles P-C4'-P energy: -83.718 tors. eta vs tors. theta energy: -89.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -838.086873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.086873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.086873 (E_RNA) where: Base-Base interactions energy: -362.861 where: short stacking energy: -362.861 Base-Backbone interact. energy: -0.361 local terms energy: -474.864750 where: bonds (distance) C4'-P energy: -107.282 bonds (distance) P-C4' energy: -100.844 flat angles C4'-P-C4' energy: -112.943 flat angles P-C4'-P energy: -71.591 tors. eta vs tors. theta energy: -82.206 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -784.105203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.105203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.105203 (E_RNA) where: Base-Base interactions energy: -324.433 where: short stacking energy: -273.770 Base-Backbone interact. energy: 0.157 local terms energy: -459.829460 where: bonds (distance) C4'-P energy: -111.987 bonds (distance) P-C4' energy: -124.888 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -69.300 tors. eta vs tors. theta energy: -55.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -726.865627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.865627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.865627 (E_RNA) where: Base-Base interactions energy: -276.414 where: short stacking energy: -266.807 Base-Backbone interact. energy: -0.019 local terms energy: -450.432147 where: bonds (distance) C4'-P energy: -111.001 bonds (distance) P-C4' energy: -109.139 flat angles C4'-P-C4' energy: -105.812 flat angles P-C4'-P energy: -62.403 tors. eta vs tors. theta energy: -62.077 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -714.406707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.406707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.406707 (E_RNA) where: Base-Base interactions energy: -33.105 where: short stacking energy: -33.105 Base-Backbone interact. energy: -0.000 local terms energy: -681.301479 where: bonds (distance) C4'-P energy: -169.592 bonds (distance) P-C4' energy: -154.403 flat angles C4'-P-C4' energy: -129.421 flat angles P-C4'-P energy: -147.467 tors. eta vs tors. theta energy: -80.418 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -716.680365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.680365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.680365 (E_RNA) where: Base-Base interactions energy: -43.104 where: short stacking energy: -43.104 Base-Backbone interact. energy: -0.000 local terms energy: -673.576640 where: bonds (distance) C4'-P energy: -165.300 bonds (distance) P-C4' energy: -149.221 flat angles C4'-P-C4' energy: -130.762 flat angles P-C4'-P energy: -146.401 tors. eta vs tors. theta energy: -81.893 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -719.791192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.791192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.791192 (E_RNA) where: Base-Base interactions energy: -43.514 where: short stacking energy: -43.514 Base-Backbone interact. energy: -0.000 local terms energy: -676.276843 where: bonds (distance) C4'-P energy: -166.492 bonds (distance) P-C4' energy: -150.010 flat angles C4'-P-C4' energy: -131.259 flat angles P-C4'-P energy: -146.738 tors. eta vs tors. theta energy: -81.778 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -722.957497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.957497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.957497 (E_RNA) where: Base-Base interactions energy: -64.066 where: short stacking energy: -64.066 Base-Backbone interact. energy: -0.000 local terms energy: -658.891751 where: bonds (distance) C4'-P energy: -161.922 bonds (distance) P-C4' energy: -138.485 flat angles C4'-P-C4' energy: -132.278 flat angles P-C4'-P energy: -144.414 tors. eta vs tors. theta energy: -81.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -716.849534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.849534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.849534 (E_RNA) where: Base-Base interactions energy: -54.516 where: short stacking energy: -54.516 Base-Backbone interact. energy: -0.000 local terms energy: -662.333754 where: bonds (distance) C4'-P energy: -163.069 bonds (distance) P-C4' energy: -141.203 flat angles C4'-P-C4' energy: -132.003 flat angles P-C4'-P energy: -144.357 tors. eta vs tors. theta energy: -81.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -717.433189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.433189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.433189 (E_RNA) where: Base-Base interactions energy: -62.076 where: short stacking energy: -62.076 Base-Backbone interact. energy: -0.000 local terms energy: -655.357288 where: bonds (distance) C4'-P energy: -160.966 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -131.669 flat angles P-C4'-P energy: -143.793 tors. eta vs tors. theta energy: -82.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -913.679213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.679213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.679213 (E_RNA) where: Base-Base interactions energy: -401.650 where: short stacking energy: -391.708 Base-Backbone interact. energy: -0.271 local terms energy: -511.757636 where: bonds (distance) C4'-P energy: -114.884 bonds (distance) P-C4' energy: -113.760 flat angles C4'-P-C4' energy: -120.458 flat angles P-C4'-P energy: -67.859 tors. eta vs tors. theta energy: -94.795 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -818.444270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.444270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.444270 (E_RNA) where: Base-Base interactions energy: -362.062 where: short stacking energy: -330.485 Base-Backbone interact. energy: -0.402 local terms energy: -455.980333 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -112.483 flat angles C4'-P-C4' energy: -99.540 flat angles P-C4'-P energy: -74.774 tors. eta vs tors. theta energy: -68.057 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: 3 Temperature: 1.000000 Total energy: -824.819110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.819110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.819110 (E_RNA) where: Base-Base interactions energy: -361.735 where: short stacking energy: -298.726 Base-Backbone interact. energy: -1.226 local terms energy: -461.857550 where: bonds (distance) C4'-P energy: -107.049 bonds (distance) P-C4' energy: -111.258 flat angles C4'-P-C4' energy: -100.708 flat angles P-C4'-P energy: -62.525 tors. eta vs tors. theta energy: -80.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -718.762240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.762240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.762240 (E_RNA) where: Base-Base interactions energy: -288.715 where: short stacking energy: -284.631 Base-Backbone interact. energy: -0.570 local terms energy: -429.477297 where: bonds (distance) C4'-P energy: -94.500 bonds (distance) P-C4' energy: -98.411 flat angles C4'-P-C4' energy: -111.185 flat angles P-C4'-P energy: -72.883 tors. eta vs tors. theta energy: -52.498 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -703.255255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.255255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.255255 (E_RNA) where: Base-Base interactions energy: -290.621 where: short stacking energy: -233.638 Base-Backbone interact. energy: -0.130 local terms energy: -412.503551 where: bonds (distance) C4'-P energy: -100.577 bonds (distance) P-C4' energy: -113.697 flat angles C4'-P-C4' energy: -111.539 flat angles P-C4'-P energy: -48.954 tors. eta vs tors. theta energy: -37.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -613.298983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.298983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.298983 (E_RNA) where: Base-Base interactions energy: -235.525 where: short stacking energy: -223.958 Base-Backbone interact. energy: -1.322 local terms energy: -376.451970 where: bonds (distance) C4'-P energy: -92.484 bonds (distance) P-C4' energy: -107.242 flat angles C4'-P-C4' energy: -93.119 flat angles P-C4'-P energy: -54.707 tors. eta vs tors. theta energy: -28.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -543.092171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.092171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.092171 (E_RNA) where: Base-Base interactions energy: -172.896 where: short stacking energy: -158.137 Base-Backbone interact. energy: -1.328 local terms energy: -368.868196 where: bonds (distance) C4'-P energy: -101.789 bonds (distance) P-C4' energy: -94.706 flat angles C4'-P-C4' energy: -80.058 flat angles P-C4'-P energy: -69.110 tors. eta vs tors. theta energy: -23.206 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -528.988792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.988792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.988792 (E_RNA) where: Base-Base interactions energy: -184.666 where: short stacking energy: -165.639 Base-Backbone interact. energy: -2.053 local terms energy: -342.269904 where: bonds (distance) C4'-P energy: -95.795 bonds (distance) P-C4' energy: -101.258 flat angles C4'-P-C4' energy: -85.092 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: -11.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -456.460798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.460798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.460798 (E_RNA) where: Base-Base interactions energy: -159.467 where: short stacking energy: -132.170 Base-Backbone interact. energy: 5.346 local terms energy: -302.339794 where: bonds (distance) C4'-P energy: -100.533 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -66.780 flat angles P-C4'-P energy: -62.045 tors. eta vs tors. theta energy: 10.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -435.112103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.112103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.112103 (E_RNA) where: Base-Base interactions energy: -140.714 where: short stacking energy: -121.957 Base-Backbone interact. energy: 2.653 local terms energy: -297.050400 where: bonds (distance) C4'-P energy: -89.630 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -69.557 flat angles P-C4'-P energy: -36.151 tors. eta vs tors. theta energy: 4.655 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -973.907250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.907250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.907250 (E_RNA) where: Base-Base interactions energy: -458.562 where: short stacking energy: -413.633 Base-Backbone interact. energy: 1.107 local terms energy: -516.452665 where: bonds (distance) C4'-P energy: -103.493 bonds (distance) P-C4' energy: -123.731 flat angles C4'-P-C4' energy: -96.848 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -109.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -883.429513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.429513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.429513 (E_RNA) where: Base-Base interactions energy: -395.217 where: short stacking energy: -379.597 Base-Backbone interact. energy: 2.328 local terms energy: -490.540338 where: bonds (distance) C4'-P energy: -100.014 bonds (distance) P-C4' energy: -106.171 flat angles C4'-P-C4' energy: -120.519 flat angles P-C4'-P energy: -75.446 tors. eta vs tors. theta energy: -88.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -873.556626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.556626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.556626 (E_RNA) where: Base-Base interactions energy: -385.135 where: short stacking energy: -311.437 Base-Backbone interact. energy: -0.927 local terms energy: -487.495140 where: bonds (distance) C4'-P energy: -111.947 bonds (distance) P-C4' energy: -107.847 flat angles C4'-P-C4' energy: -122.314 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -73.749 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: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -747.542460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.542460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.542460 (E_RNA) where: Base-Base interactions energy: -307.390 where: short stacking energy: -289.746 Base-Backbone interact. energy: 0.044 local terms energy: -440.196438 where: bonds (distance) C4'-P energy: -110.012 bonds (distance) P-C4' energy: -109.963 flat angles C4'-P-C4' energy: -108.235 flat angles P-C4'-P energy: -61.172 tors. eta vs tors. theta energy: -50.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -710.457729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.457729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.457729 (E_RNA) where: Base-Base interactions energy: -320.182 where: short stacking energy: -227.236 Base-Backbone interact. energy: -0.248 local terms energy: -390.028617 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -106.547 flat angles C4'-P-C4' energy: -91.831 flat angles P-C4'-P energy: -53.279 tors. eta vs tors. theta energy: -37.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -591.819783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.819783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.819783 (E_RNA) where: Base-Base interactions energy: -253.499 where: short stacking energy: -207.566 Base-Backbone interact. energy: -0.705 local terms energy: -337.616162 where: bonds (distance) C4'-P energy: -70.391 bonds (distance) P-C4' energy: -89.649 flat angles C4'-P-C4' energy: -101.770 flat angles P-C4'-P energy: -49.090 tors. eta vs tors. theta energy: -26.717 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -546.112807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.112807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.112807 (E_RNA) where: Base-Base interactions energy: -208.749 where: short stacking energy: -174.063 Base-Backbone interact. energy: -1.614 local terms energy: -335.750351 where: bonds (distance) C4'-P energy: -70.916 bonds (distance) P-C4' energy: -103.603 flat angles C4'-P-C4' energy: -76.744 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -22.852 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: 4 Temperature: 1.250000 Total energy: -542.287966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.287966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.287966 (E_RNA) where: Base-Base interactions energy: -222.262 where: short stacking energy: -175.837 Base-Backbone interact. energy: 1.666 local terms energy: -321.692337 where: bonds (distance) C4'-P energy: -85.531 bonds (distance) P-C4' energy: -109.920 flat angles C4'-P-C4' energy: -89.001 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -476.621157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.621157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.621157 (E_RNA) where: Base-Base interactions energy: -168.336 where: short stacking energy: -150.992 Base-Backbone interact. energy: 6.390 local terms energy: -314.675899 where: bonds (distance) C4'-P energy: -92.384 bonds (distance) P-C4' energy: -95.694 flat angles C4'-P-C4' energy: -74.129 flat angles P-C4'-P energy: -56.472 tors. eta vs tors. theta energy: 4.003 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: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -422.153343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.153343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.153343 (E_RNA) where: Base-Base interactions energy: -124.073 where: short stacking energy: -102.449 Base-Backbone interact. energy: 2.881 local terms energy: -300.961236 where: bonds (distance) C4'-P energy: -95.461 bonds (distance) P-C4' energy: -94.240 flat angles C4'-P-C4' energy: -82.779 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: 18.558 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -968.398879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.398879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.398879 (E_RNA) where: Base-Base interactions energy: -464.988 where: short stacking energy: -408.148 Base-Backbone interact. energy: -0.676 local terms energy: -502.734947 where: bonds (distance) C4'-P energy: -103.582 bonds (distance) P-C4' energy: -114.860 flat angles C4'-P-C4' energy: -112.645 flat angles P-C4'-P energy: -76.090 tors. eta vs tors. theta energy: -95.559 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: 5 Temperature: 0.950000 Total energy: -948.180582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.180582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.180582 (E_RNA) where: Base-Base interactions energy: -455.060 where: short stacking energy: -343.739 Base-Backbone interact. energy: 1.022 local terms energy: -494.142090 where: bonds (distance) C4'-P energy: -111.774 bonds (distance) P-C4' energy: -117.445 flat angles C4'-P-C4' energy: -113.142 flat angles P-C4'-P energy: -76.508 tors. eta vs tors. theta energy: -75.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -877.666061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.666061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.666061 (E_RNA) where: Base-Base interactions energy: -470.892 where: short stacking energy: -340.984 Base-Backbone interact. energy: -1.573 local terms energy: -405.201863 where: bonds (distance) C4'-P energy: -79.346 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -95.272 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -69.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -730.881795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.881795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.881795 (E_RNA) where: Base-Base interactions energy: -298.230 where: short stacking energy: -268.619 Base-Backbone interact. energy: -0.071 local terms energy: -432.581311 where: bonds (distance) C4'-P energy: -92.941 bonds (distance) P-C4' energy: -110.002 flat angles C4'-P-C4' energy: -107.123 flat angles P-C4'-P energy: -65.403 tors. eta vs tors. theta energy: -57.112 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: 5 Temperature: 1.100000 Total energy: -728.854188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.854188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.854188 (E_RNA) where: Base-Base interactions energy: -358.277 where: short stacking energy: -269.245 Base-Backbone interact. energy: -0.400 local terms energy: -370.177477 where: bonds (distance) C4'-P energy: -89.614 bonds (distance) P-C4' energy: -89.938 flat angles C4'-P-C4' energy: -89.229 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -38.213 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: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -648.175574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.175574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.175574 (E_RNA) where: Base-Base interactions energy: -288.851 where: short stacking energy: -199.951 Base-Backbone interact. energy: -0.777 local terms energy: -358.547267 where: bonds (distance) C4'-P energy: -103.903 bonds (distance) P-C4' energy: -99.794 flat angles C4'-P-C4' energy: -92.834 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -607.498514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.498514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.498514 (E_RNA) where: Base-Base interactions energy: -261.704 where: short stacking energy: -166.328 Base-Backbone interact. energy: -0.543 local terms energy: -345.251876 where: bonds (distance) C4'-P energy: -93.886 bonds (distance) P-C4' energy: -102.296 flat angles C4'-P-C4' energy: -87.107 flat angles P-C4'-P energy: -56.656 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -576.987298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.987298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.987298 (E_RNA) where: Base-Base interactions energy: -271.902 where: short stacking energy: -196.352 Base-Backbone interact. energy: -1.216 local terms energy: -303.869299 where: bonds (distance) C4'-P energy: -96.349 bonds (distance) P-C4' energy: -84.558 flat angles C4'-P-C4' energy: -84.315 flat angles P-C4'-P energy: -51.273 tors. eta vs tors. theta energy: 12.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -563.408754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.408754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.408754 (E_RNA) where: Base-Base interactions energy: -255.535 where: short stacking energy: -179.192 Base-Backbone interact. energy: 1.662 local terms energy: -309.535455 where: bonds (distance) C4'-P energy: -87.421 bonds (distance) P-C4' energy: -95.354 flat angles C4'-P-C4' energy: -72.351 flat angles P-C4'-P energy: -47.952 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -432.310664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.310664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.310664 (E_RNA) where: Base-Base interactions energy: -153.468 where: short stacking energy: -122.326 Base-Backbone interact. energy: 1.819 local terms energy: -280.661448 where: bonds (distance) C4'-P energy: -87.872 bonds (distance) P-C4' energy: -104.283 flat angles C4'-P-C4' energy: -67.709 flat angles P-C4'-P energy: -29.145 tors. eta vs tors. theta energy: 8.348 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: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -996.622919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.622919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.622919 (E_RNA) where: Base-Base interactions energy: -488.123 where: short stacking energy: -371.064 Base-Backbone interact. energy: -0.173 local terms energy: -508.326382 where: bonds (distance) C4'-P energy: -105.709 bonds (distance) P-C4' energy: -111.779 flat angles C4'-P-C4' energy: -116.043 flat angles P-C4'-P energy: -90.279 tors. eta vs tors. theta energy: -84.516 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: 6 Temperature: 0.950000 Total energy: -986.975933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.975933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.975933 (E_RNA) where: Base-Base interactions energy: -527.632 where: short stacking energy: -385.137 Base-Backbone interact. energy: -0.889 local terms energy: -458.454611 where: bonds (distance) C4'-P energy: -101.331 bonds (distance) P-C4' energy: -106.517 flat angles C4'-P-C4' energy: -99.500 flat angles P-C4'-P energy: -64.757 tors. eta vs tors. theta energy: -86.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -864.587842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.587842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.587842 (E_RNA) where: Base-Base interactions energy: -437.002 where: short stacking energy: -326.825 Base-Backbone interact. energy: 0.529 local terms energy: -428.114824 where: bonds (distance) C4'-P energy: -108.518 bonds (distance) P-C4' energy: -100.590 flat angles C4'-P-C4' energy: -100.501 flat angles P-C4'-P energy: -59.201 tors. eta vs tors. theta energy: -59.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -766.942291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.942291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.942291 (E_RNA) where: Base-Base interactions energy: -316.067 where: short stacking energy: -269.259 Base-Backbone interact. energy: 1.697 local terms energy: -452.571860 where: bonds (distance) C4'-P energy: -97.250 bonds (distance) P-C4' energy: -115.473 flat angles C4'-P-C4' energy: -113.376 flat angles P-C4'-P energy: -70.697 tors. eta vs tors. theta energy: -55.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -788.575107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.575107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.575107 (E_RNA) where: Base-Base interactions energy: -353.496 where: short stacking energy: -288.057 Base-Backbone interact. energy: 2.961 local terms energy: -438.040156 where: bonds (distance) C4'-P energy: -111.855 bonds (distance) P-C4' energy: -103.226 flat angles C4'-P-C4' energy: -97.428 flat angles P-C4'-P energy: -64.369 tors. eta vs tors. theta energy: -61.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -669.138911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.138911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.138911 (E_RNA) where: Base-Base interactions energy: -313.335 where: short stacking energy: -218.833 Base-Backbone interact. energy: 0.019 local terms energy: -355.822671 where: bonds (distance) C4'-P energy: -92.758 bonds (distance) P-C4' energy: -103.316 flat angles C4'-P-C4' energy: -95.772 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: -29.482 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -684.594617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.594617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.594617 (E_RNA) where: Base-Base interactions energy: -333.484 where: short stacking energy: -220.717 Base-Backbone interact. energy: 1.103 local terms energy: -352.213733 where: bonds (distance) C4'-P energy: -84.923 bonds (distance) P-C4' energy: -103.565 flat angles C4'-P-C4' energy: -83.380 flat angles P-C4'-P energy: -61.041 tors. eta vs tors. theta energy: -19.305 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: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -611.017493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.017493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.017493 (E_RNA) where: Base-Base interactions energy: -276.844 where: short stacking energy: -182.262 Base-Backbone interact. energy: 0.637 local terms energy: -334.810796 where: bonds (distance) C4'-P energy: -89.824 bonds (distance) P-C4' energy: -109.866 flat angles C4'-P-C4' energy: -73.178 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -21.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -520.120284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.120284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.120284 (E_RNA) where: Base-Base interactions energy: -252.589 where: short stacking energy: -167.513 Base-Backbone interact. energy: 0.215 local terms energy: -267.746728 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -85.820 flat angles C4'-P-C4' energy: -67.412 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: 14.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -434.050292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.050292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.050292 (E_RNA) where: Base-Base interactions energy: -148.286 where: short stacking energy: -121.348 Base-Backbone interact. energy: 0.265 local terms energy: -286.029806 where: bonds (distance) C4'-P energy: -81.296 bonds (distance) P-C4' energy: -96.605 flat angles C4'-P-C4' energy: -76.855 flat angles P-C4'-P energy: -55.218 tors. eta vs tors. theta energy: 23.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -998.062672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.062672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.062672 (E_RNA) where: Base-Base interactions energy: -489.355 where: short stacking energy: -405.323 Base-Backbone interact. energy: -0.612 local terms energy: -508.096065 where: bonds (distance) C4'-P energy: -122.052 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -101.062 flat angles P-C4'-P energy: -77.927 tors. eta vs tors. theta energy: -91.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1036.416222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.416222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.416222 (E_RNA) where: Base-Base interactions energy: -550.797 where: short stacking energy: -372.171 Base-Backbone interact. energy: -0.323 local terms energy: -485.295746 where: bonds (distance) C4'-P energy: -103.194 bonds (distance) P-C4' energy: -110.230 flat angles C4'-P-C4' energy: -106.806 flat angles P-C4'-P energy: -79.059 tors. eta vs tors. theta energy: -86.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -964.494881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.494881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.494881 (E_RNA) where: Base-Base interactions energy: -509.531 where: short stacking energy: -321.227 Base-Backbone interact. energy: -1.301 local terms energy: -453.662378 where: bonds (distance) C4'-P energy: -112.295 bonds (distance) P-C4' energy: -103.344 flat angles C4'-P-C4' energy: -96.671 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -77.035 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: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -831.906276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.906276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.906276 (E_RNA) where: Base-Base interactions energy: -419.143 where: short stacking energy: -304.863 Base-Backbone interact. energy: 1.472 local terms energy: -414.234707 where: bonds (distance) C4'-P energy: -94.371 bonds (distance) P-C4' energy: -91.860 flat angles C4'-P-C4' energy: -102.404 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -49.592 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -787.574018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.574018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.574018 (E_RNA) where: Base-Base interactions energy: -394.752 where: short stacking energy: -253.642 Base-Backbone interact. energy: -1.513 local terms energy: -391.309690 where: bonds (distance) C4'-P energy: -97.911 bonds (distance) P-C4' energy: -107.069 flat angles C4'-P-C4' energy: -76.474 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -40.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -817.253228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.253228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.253228 (E_RNA) where: Base-Base interactions energy: -445.960 where: short stacking energy: -226.616 Base-Backbone interact. energy: -0.060 local terms energy: -371.233635 where: bonds (distance) C4'-P energy: -99.795 bonds (distance) P-C4' energy: -90.334 flat angles C4'-P-C4' energy: -88.368 flat angles P-C4'-P energy: -68.972 tors. eta vs tors. theta energy: -23.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -605.226989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.226989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.226989 (E_RNA) where: Base-Base interactions energy: -242.717 where: short stacking energy: -199.303 Base-Backbone interact. energy: 1.765 local terms energy: -364.274598 where: bonds (distance) C4'-P energy: -94.507 bonds (distance) P-C4' energy: -114.809 flat angles C4'-P-C4' energy: -87.910 flat angles P-C4'-P energy: -55.555 tors. eta vs tors. theta energy: -11.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -674.884675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.884675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.884675 (E_RNA) where: Base-Base interactions energy: -320.582 where: short stacking energy: -202.959 Base-Backbone interact. energy: -0.919 local terms energy: -353.384382 where: bonds (distance) C4'-P energy: -81.075 bonds (distance) P-C4' energy: -103.287 flat angles C4'-P-C4' energy: -98.420 flat angles P-C4'-P energy: -45.857 tors. eta vs tors. theta energy: -24.745 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: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -500.088210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.088210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.088210 (E_RNA) where: Base-Base interactions energy: -182.054 where: short stacking energy: -119.085 Base-Backbone interact. energy: 1.893 local terms energy: -319.927703 where: bonds (distance) C4'-P energy: -89.812 bonds (distance) P-C4' energy: -101.667 flat angles C4'-P-C4' energy: -95.407 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: 17.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -428.409464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.409464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.409464 (E_RNA) where: Base-Base interactions energy: -166.592 where: short stacking energy: -125.311 Base-Backbone interact. energy: 10.879 local terms energy: -272.696504 where: bonds (distance) C4'-P energy: -85.196 bonds (distance) P-C4' energy: -82.983 flat angles C4'-P-C4' energy: -86.018 flat angles P-C4'-P energy: -43.797 tors. eta vs tors. theta energy: 25.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1147.215146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.215146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.215146 (E_RNA) where: Base-Base interactions energy: -652.134 where: short stacking energy: -386.687 Base-Backbone interact. energy: -1.680 local terms energy: -493.401850 where: bonds (distance) C4'-P energy: -105.525 bonds (distance) P-C4' energy: -118.518 flat angles C4'-P-C4' energy: -114.442 flat angles P-C4'-P energy: -58.991 tors. eta vs tors. theta energy: -95.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1016.383295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.383295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.383295 (E_RNA) where: Base-Base interactions energy: -548.222 where: short stacking energy: -364.668 Base-Backbone interact. energy: -0.677 local terms energy: -467.483930 where: bonds (distance) C4'-P energy: -96.477 bonds (distance) P-C4' energy: -112.626 flat angles C4'-P-C4' energy: -103.285 flat angles P-C4'-P energy: -69.796 tors. eta vs tors. theta energy: -85.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1019.565712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.565712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.565712 (E_RNA) where: Base-Base interactions energy: -559.146 where: short stacking energy: -362.554 Base-Backbone interact. energy: 1.418 local terms energy: -461.837951 where: bonds (distance) C4'-P energy: -106.863 bonds (distance) P-C4' energy: -100.458 flat angles C4'-P-C4' energy: -102.307 flat angles P-C4'-P energy: -64.395 tors. eta vs tors. theta energy: -87.816 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: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -895.162632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.162632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.162632 (E_RNA) where: Base-Base interactions energy: -458.907 where: short stacking energy: -281.036 Base-Backbone interact. energy: 3.887 local terms energy: -440.142700 where: bonds (distance) C4'-P energy: -107.162 bonds (distance) P-C4' energy: -111.163 flat angles C4'-P-C4' energy: -107.700 flat angles P-C4'-P energy: -64.561 tors. eta vs tors. theta energy: -49.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -958.358388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.358388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.358388 (E_RNA) where: Base-Base interactions energy: -581.648 where: short stacking energy: -286.110 Base-Backbone interact. energy: -1.190 local terms energy: -375.519988 where: bonds (distance) C4'-P energy: -94.094 bonds (distance) P-C4' energy: -85.355 flat angles C4'-P-C4' energy: -84.222 flat angles P-C4'-P energy: -63.504 tors. eta vs tors. theta energy: -48.344 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: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -726.800909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.800909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.800909 (E_RNA) where: Base-Base interactions energy: -333.413 where: short stacking energy: -209.981 Base-Backbone interact. energy: 2.209 local terms energy: -395.596544 where: bonds (distance) C4'-P energy: -102.567 bonds (distance) P-C4' energy: -97.431 flat angles C4'-P-C4' energy: -106.854 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -28.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -707.997394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.997394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.997394 (E_RNA) where: Base-Base interactions energy: -369.375 where: short stacking energy: -201.628 Base-Backbone interact. energy: 2.910 local terms energy: -341.531877 where: bonds (distance) C4'-P energy: -86.750 bonds (distance) P-C4' energy: -93.543 flat angles C4'-P-C4' energy: -86.658 flat angles P-C4'-P energy: -56.821 tors. eta vs tors. theta energy: -17.760 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -578.851132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.851132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.851132 (E_RNA) where: Base-Base interactions energy: -268.697 where: short stacking energy: -178.036 Base-Backbone interact. energy: -0.431 local terms energy: -309.722910 where: bonds (distance) C4'-P energy: -93.854 bonds (distance) P-C4' energy: -91.852 flat angles C4'-P-C4' energy: -83.417 flat angles P-C4'-P energy: -51.032 tors. eta vs tors. theta energy: 10.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -505.409852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.409852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.409852 (E_RNA) where: Base-Base interactions energy: -222.285 where: short stacking energy: -143.097 Base-Backbone interact. energy: -1.902 local terms energy: -281.223339 where: bonds (distance) C4'-P energy: -80.323 bonds (distance) P-C4' energy: -85.800 flat angles C4'-P-C4' energy: -70.997 flat angles P-C4'-P energy: -34.739 tors. eta vs tors. theta energy: -9.364 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: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -421.187923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.187923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.187923 (E_RNA) where: Base-Base interactions energy: -156.507 where: short stacking energy: -131.751 Base-Backbone interact. energy: 3.162 local terms energy: -267.842931 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -82.289 flat angles C4'-P-C4' energy: -84.553 flat angles P-C4'-P energy: -27.010 tors. eta vs tors. theta energy: 23.243 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: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1209.976059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.976059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.976059 (E_RNA) where: Base-Base interactions energy: -706.881 where: short stacking energy: -462.786 Base-Backbone interact. energy: 2.972 local terms energy: -506.067279 where: bonds (distance) C4'-P energy: -105.066 bonds (distance) P-C4' energy: -96.154 flat angles C4'-P-C4' energy: -113.978 flat angles P-C4'-P energy: -76.593 tors. eta vs tors. theta energy: -114.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1153.026193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.026193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.026193 (E_RNA) where: Base-Base interactions energy: -655.556 where: short stacking energy: -384.864 Base-Backbone interact. energy: -0.789 local terms energy: -496.680227 where: bonds (distance) C4'-P energy: -99.345 bonds (distance) P-C4' energy: -115.734 flat angles C4'-P-C4' energy: -109.921 flat angles P-C4'-P energy: -79.022 tors. eta vs tors. theta energy: -92.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -957.181614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.181614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.181614 (E_RNA) where: Base-Base interactions energy: -509.509 where: short stacking energy: -310.273 Base-Backbone interact. energy: -0.816 local terms energy: -446.856128 where: bonds (distance) C4'-P energy: -104.372 bonds (distance) P-C4' energy: -104.726 flat angles C4'-P-C4' energy: -103.716 flat angles P-C4'-P energy: -69.165 tors. eta vs tors. theta energy: -64.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1042.529463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.529463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.529463 (E_RNA) where: Base-Base interactions energy: -604.972 where: short stacking energy: -316.308 Base-Backbone interact. energy: 3.249 local terms energy: -440.806269 where: bonds (distance) C4'-P energy: -94.807 bonds (distance) P-C4' energy: -108.159 flat angles C4'-P-C4' energy: -104.422 flat angles P-C4'-P energy: -64.747 tors. eta vs tors. theta energy: -68.672 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -867.028036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.028036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.028036 (E_RNA) where: Base-Base interactions energy: -467.296 where: short stacking energy: -305.860 Base-Backbone interact. energy: 4.428 local terms energy: -404.160174 where: bonds (distance) C4'-P energy: -95.099 bonds (distance) P-C4' energy: -110.401 flat angles C4'-P-C4' energy: -97.907 flat angles P-C4'-P energy: -55.482 tors. eta vs tors. theta energy: -45.271 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: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -861.838167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.838167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.838167 (E_RNA) where: Base-Base interactions energy: -494.489 where: short stacking energy: -245.275 Base-Backbone interact. energy: -2.150 local terms energy: -365.199564 where: bonds (distance) C4'-P energy: -102.362 bonds (distance) P-C4' energy: -94.136 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -56.756 tors. eta vs tors. theta energy: -22.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -642.913928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.913928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.913928 (E_RNA) where: Base-Base interactions energy: -320.621 where: short stacking energy: -208.728 Base-Backbone interact. energy: 0.088 local terms energy: -322.380558 where: bonds (distance) C4'-P energy: -98.228 bonds (distance) P-C4' energy: -86.855 flat angles C4'-P-C4' energy: -85.358 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -510.921015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.921015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.921015 (E_RNA) where: Base-Base interactions energy: -211.122 where: short stacking energy: -184.240 Base-Backbone interact. energy: -1.743 local terms energy: -298.056091 where: bonds (distance) C4'-P energy: -79.271 bonds (distance) P-C4' energy: -90.401 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -44.123 tors. eta vs tors. theta energy: 2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -532.896943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.896943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.896943 (E_RNA) where: Base-Base interactions energy: -235.290 where: short stacking energy: -160.218 Base-Backbone interact. energy: 2.209 local terms energy: -299.815402 where: bonds (distance) C4'-P energy: -88.815 bonds (distance) P-C4' energy: -81.136 flat angles C4'-P-C4' energy: -71.446 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -6.274 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: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -472.106953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.106953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.106953 (E_RNA) where: Base-Base interactions energy: -181.564 where: short stacking energy: -130.853 Base-Backbone interact. energy: -0.913 local terms energy: -289.629912 where: bonds (distance) C4'-P energy: -71.452 bonds (distance) P-C4' energy: -93.059 flat angles C4'-P-C4' energy: -82.117 flat angles P-C4'-P energy: -49.390 tors. eta vs tors. theta energy: 6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1240.864704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.864704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.864704 (E_RNA) where: Base-Base interactions energy: -701.902 where: short stacking energy: -418.137 Base-Backbone interact. energy: -0.828 local terms energy: -538.134420 where: bonds (distance) C4'-P energy: -115.923 bonds (distance) P-C4' energy: -103.908 flat angles C4'-P-C4' energy: -133.859 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: -108.443 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: 10 Temperature: 0.950000 Total energy: -1142.043843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.043843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.043843 (E_RNA) where: Base-Base interactions energy: -654.585 where: short stacking energy: -393.810 Base-Backbone interact. energy: -3.729 local terms energy: -483.730567 where: bonds (distance) C4'-P energy: -97.014 bonds (distance) P-C4' energy: -99.539 flat angles C4'-P-C4' energy: -112.782 flat angles P-C4'-P energy: -81.482 tors. eta vs tors. theta energy: -92.914 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: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1173.487772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.487772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.487772 (E_RNA) where: Base-Base interactions energy: -712.292 where: short stacking energy: -375.212 Base-Backbone interact. energy: -3.586 local terms energy: -457.609358 where: bonds (distance) C4'-P energy: -96.344 bonds (distance) P-C4' energy: -109.058 flat angles C4'-P-C4' energy: -112.072 flat angles P-C4'-P energy: -60.575 tors. eta vs tors. theta energy: -79.561 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: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -855.100231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.100231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.100231 (E_RNA) where: Base-Base interactions energy: -445.918 where: short stacking energy: -272.420 Base-Backbone interact. energy: -0.405 local terms energy: -408.777168 where: bonds (distance) C4'-P energy: -102.912 bonds (distance) P-C4' energy: -103.751 flat angles C4'-P-C4' energy: -93.807 flat angles P-C4'-P energy: -66.503 tors. eta vs tors. theta energy: -41.803 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: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -900.449577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.449577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.449577 (E_RNA) where: Base-Base interactions energy: -496.784 where: short stacking energy: -298.519 Base-Backbone interact. energy: 1.634 local terms energy: -405.298731 where: bonds (distance) C4'-P energy: -89.347 bonds (distance) P-C4' energy: -101.089 flat angles C4'-P-C4' energy: -106.985 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -30.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -825.226879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.226879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.226879 (E_RNA) where: Base-Base interactions energy: -439.100 where: short stacking energy: -271.593 Base-Backbone interact. energy: -0.954 local terms energy: -385.172302 where: bonds (distance) C4'-P energy: -95.729 bonds (distance) P-C4' energy: -97.513 flat angles C4'-P-C4' energy: -90.840 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -41.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -599.873428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.873428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.873428 (E_RNA) where: Base-Base interactions energy: -251.678 where: short stacking energy: -209.812 Base-Backbone interact. energy: -1.573 local terms energy: -346.622499 where: bonds (distance) C4'-P energy: -89.636 bonds (distance) P-C4' energy: -110.596 flat angles C4'-P-C4' energy: -80.651 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: -17.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -505.036108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.036108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.036108 (E_RNA) where: Base-Base interactions energy: -170.549 where: short stacking energy: -170.239 Base-Backbone interact. energy: -1.091 local terms energy: -333.396191 where: bonds (distance) C4'-P energy: -86.709 bonds (distance) P-C4' energy: -85.254 flat angles C4'-P-C4' energy: -87.332 flat angles P-C4'-P energy: -57.361 tors. eta vs tors. theta energy: -16.739 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: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -538.943747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.943747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.943747 (E_RNA) where: Base-Base interactions energy: -235.767 where: short stacking energy: -148.002 Base-Backbone interact. energy: 0.030 local terms energy: -303.206974 where: bonds (distance) C4'-P energy: -83.742 bonds (distance) P-C4' energy: -96.862 flat angles C4'-P-C4' energy: -78.836 flat angles P-C4'-P energy: -61.269 tors. eta vs tors. theta energy: 17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -438.232474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.232474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.232474 (E_RNA) where: Base-Base interactions energy: -155.609 where: short stacking energy: -115.240 Base-Backbone interact. energy: -1.496 local terms energy: -281.126770 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -87.753 flat angles C4'-P-C4' energy: -77.957 flat angles P-C4'-P energy: -36.250 tors. eta vs tors. theta energy: 13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1246.739921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.739921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.739921 (E_RNA) where: Base-Base interactions energy: -755.671 where: short stacking energy: -417.276 Base-Backbone interact. energy: -0.974 local terms energy: -490.094595 where: bonds (distance) C4'-P energy: -106.743 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -115.241 flat angles P-C4'-P energy: -64.768 tors. eta vs tors. theta energy: -87.674 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: 11 Temperature: 0.950000 Total energy: -1319.004590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.004590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.004590 (E_RNA) where: Base-Base interactions energy: -821.420 where: short stacking energy: -400.614 Base-Backbone interact. energy: -2.554 local terms energy: -495.031237 where: bonds (distance) C4'-P energy: -103.778 bonds (distance) P-C4' energy: -104.379 flat angles C4'-P-C4' energy: -109.383 flat angles P-C4'-P energy: -77.521 tors. eta vs tors. theta energy: -99.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1109.226173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.226173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.226173 (E_RNA) where: Base-Base interactions energy: -610.156 where: short stacking energy: -379.682 Base-Backbone interact. energy: 0.677 local terms energy: -499.746906 where: bonds (distance) C4'-P energy: -103.184 bonds (distance) P-C4' energy: -118.785 flat angles C4'-P-C4' energy: -109.723 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -107.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1081.194732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.194732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.194732 (E_RNA) where: Base-Base interactions energy: -620.391 where: short stacking energy: -353.182 Base-Backbone interact. energy: -1.793 local terms energy: -459.011000 where: bonds (distance) C4'-P energy: -101.463 bonds (distance) P-C4' energy: -103.950 flat angles C4'-P-C4' energy: -103.448 flat angles P-C4'-P energy: -57.606 tors. eta vs tors. theta energy: -92.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -867.473147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.473147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.473147 (E_RNA) where: Base-Base interactions energy: -469.795 where: short stacking energy: -254.792 Base-Backbone interact. energy: -3.213 local terms energy: -394.464807 where: bonds (distance) C4'-P energy: -103.837 bonds (distance) P-C4' energy: -107.321 flat angles C4'-P-C4' energy: -85.632 flat angles P-C4'-P energy: -62.434 tors. eta vs tors. theta energy: -35.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -864.673961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.673961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.673961 (E_RNA) where: Base-Base interactions energy: -476.038 where: short stacking energy: -269.633 Base-Backbone interact. energy: 0.283 local terms energy: -388.918783 where: bonds (distance) C4'-P energy: -104.053 bonds (distance) P-C4' energy: -101.458 flat angles C4'-P-C4' energy: -97.711 flat angles P-C4'-P energy: -44.193 tors. eta vs tors. theta energy: -41.504 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: 7, replica: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -680.391223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.391223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.391223 (E_RNA) where: Base-Base interactions energy: -326.883 where: short stacking energy: -181.794 Base-Backbone interact. energy: -1.606 local terms energy: -351.902141 where: bonds (distance) C4'-P energy: -90.885 bonds (distance) P-C4' energy: -105.018 flat angles C4'-P-C4' energy: -93.639 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -8.953 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: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -525.775766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.775766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.775766 (E_RNA) where: Base-Base interactions energy: -194.019 where: short stacking energy: -168.162 Base-Backbone interact. energy: 0.140 local terms energy: -331.896976 where: bonds (distance) C4'-P energy: -86.561 bonds (distance) P-C4' energy: -100.986 flat angles C4'-P-C4' energy: -85.322 flat angles P-C4'-P energy: -64.835 tors. eta vs tors. theta energy: 5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -485.874604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.874604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.874604 (E_RNA) where: Base-Base interactions energy: -197.764 where: short stacking energy: -131.361 Base-Backbone interact. energy: 1.905 local terms energy: -290.015725 where: bonds (distance) C4'-P energy: -89.101 bonds (distance) P-C4' energy: -99.999 flat angles C4'-P-C4' energy: -85.730 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: 24.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -488.796420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.796420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.796420 (E_RNA) where: Base-Base interactions energy: -185.496 where: short stacking energy: -146.799 Base-Backbone interact. energy: -1.674 local terms energy: -301.625911 where: bonds (distance) C4'-P energy: -86.237 bonds (distance) P-C4' energy: -76.624 flat angles C4'-P-C4' energy: -89.965 flat angles P-C4'-P energy: -41.651 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: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1425.764296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.764296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.764296 (E_RNA) where: Base-Base interactions energy: -888.326 where: short stacking energy: -464.417 Base-Backbone interact. energy: 1.498 local terms energy: -538.936550 where: bonds (distance) C4'-P energy: -110.828 bonds (distance) P-C4' energy: -116.360 flat angles C4'-P-C4' energy: -115.972 flat angles P-C4'-P energy: -80.889 tors. eta vs tors. theta energy: -114.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1264.275497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.275497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.275497 (E_RNA) where: Base-Base interactions energy: -776.140 where: short stacking energy: -422.257 Base-Backbone interact. energy: 2.264 local terms energy: -490.400195 where: bonds (distance) C4'-P energy: -95.027 bonds (distance) P-C4' energy: -102.367 flat angles C4'-P-C4' energy: -116.219 flat angles P-C4'-P energy: -68.749 tors. eta vs tors. theta energy: -108.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1071.099439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.099439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.099439 (E_RNA) where: Base-Base interactions energy: -612.006 where: short stacking energy: -294.176 Base-Backbone interact. energy: 1.815 local terms energy: -460.908711 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -107.132 flat angles C4'-P-C4' energy: -111.722 flat angles P-C4'-P energy: -69.413 tors. eta vs tors. theta energy: -65.046 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: 8 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1131.596574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.596574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.596574 (E_RNA) where: Base-Base interactions energy: -648.998 where: short stacking energy: -358.785 Base-Backbone interact. energy: -1.174 local terms energy: -481.424736 where: bonds (distance) C4'-P energy: -105.308 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -112.286 flat angles P-C4'-P energy: -70.337 tors. eta vs tors. theta energy: -80.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -949.393674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.393674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.393674 (E_RNA) where: Base-Base interactions energy: -529.306 where: short stacking energy: -289.187 Base-Backbone interact. energy: -0.982 local terms energy: -419.105485 where: bonds (distance) C4'-P energy: -97.407 bonds (distance) P-C4' energy: -105.501 flat angles C4'-P-C4' energy: -115.330 flat angles P-C4'-P energy: -44.786 tors. eta vs tors. theta energy: -56.082 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: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -807.331358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.331358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.331358 (E_RNA) where: Base-Base interactions energy: -450.764 where: short stacking energy: -233.712 Base-Backbone interact. energy: -2.188 local terms energy: -354.379051 where: bonds (distance) C4'-P energy: -81.030 bonds (distance) P-C4' energy: -105.992 flat angles C4'-P-C4' energy: -90.502 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: -29.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -774.258851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.258851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.258851 (E_RNA) where: Base-Base interactions energy: -419.341 where: short stacking energy: -224.424 Base-Backbone interact. energy: -1.060 local terms energy: -353.858506 where: bonds (distance) C4'-P energy: -84.828 bonds (distance) P-C4' energy: -89.257 flat angles C4'-P-C4' energy: -93.966 flat angles P-C4'-P energy: -63.298 tors. eta vs tors. theta energy: -22.509 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: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -496.311799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.311799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.311799 (E_RNA) where: Base-Base interactions energy: -196.081 where: short stacking energy: -161.101 Base-Backbone interact. energy: -1.581 local terms energy: -298.650409 where: bonds (distance) C4'-P energy: -81.590 bonds (distance) P-C4' energy: -102.022 flat angles C4'-P-C4' energy: -75.432 flat angles P-C4'-P energy: -43.051 tors. eta vs tors. theta energy: 3.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -492.987980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.987980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.987980 (E_RNA) where: Base-Base interactions energy: -203.983 where: short stacking energy: -155.077 Base-Backbone interact. energy: -2.397 local terms energy: -286.607511 where: bonds (distance) C4'-P energy: -85.404 bonds (distance) P-C4' energy: -87.005 flat angles C4'-P-C4' energy: -90.802 flat angles P-C4'-P energy: -51.013 tors. eta vs tors. theta energy: 27.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -452.948429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.948429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.948429 (E_RNA) where: Base-Base interactions energy: -177.923 where: short stacking energy: -137.286 Base-Backbone interact. energy: 0.270 local terms energy: -275.295712 where: bonds (distance) C4'-P energy: -86.920 bonds (distance) P-C4' energy: -81.284 flat angles C4'-P-C4' energy: -74.706 flat angles P-C4'-P energy: -34.359 tors. eta vs tors. theta energy: 1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1430.963648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.963648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.963648 (E_RNA) where: Base-Base interactions energy: -894.044 where: short stacking energy: -461.041 Base-Backbone interact. energy: -0.979 local terms energy: -535.941321 where: bonds (distance) C4'-P energy: -113.797 bonds (distance) P-C4' energy: -115.154 flat angles C4'-P-C4' energy: -115.487 flat angles P-C4'-P energy: -84.220 tors. eta vs tors. theta energy: -107.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1249.560151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.560151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.560151 (E_RNA) where: Base-Base interactions energy: -769.437 where: short stacking energy: -396.551 Base-Backbone interact. energy: -0.178 local terms energy: -479.944619 where: bonds (distance) C4'-P energy: -100.469 bonds (distance) P-C4' energy: -116.958 flat angles C4'-P-C4' energy: -108.461 flat angles P-C4'-P energy: -69.221 tors. eta vs tors. theta energy: -84.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1120.178427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.178427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.178427 (E_RNA) where: Base-Base interactions energy: -654.384 where: short stacking energy: -381.393 Base-Backbone interact. energy: 1.344 local terms energy: -467.138392 where: bonds (distance) C4'-P energy: -96.417 bonds (distance) P-C4' energy: -114.886 flat angles C4'-P-C4' energy: -111.842 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -89.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1146.766973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.766973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.766973 (E_RNA) where: Base-Base interactions energy: -662.198 where: short stacking energy: -389.583 Base-Backbone interact. energy: -1.643 local terms energy: -482.925926 where: bonds (distance) C4'-P energy: -99.281 bonds (distance) P-C4' energy: -118.376 flat angles C4'-P-C4' energy: -100.840 flat angles P-C4'-P energy: -72.696 tors. eta vs tors. theta energy: -91.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -983.694614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.694614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.694614 (E_RNA) where: Base-Base interactions energy: -552.964 where: short stacking energy: -287.180 Base-Backbone interact. energy: 4.736 local terms energy: -435.465642 where: bonds (distance) C4'-P energy: -107.056 bonds (distance) P-C4' energy: -111.029 flat angles C4'-P-C4' energy: -102.585 flat angles P-C4'-P energy: -61.129 tors. eta vs tors. theta energy: -53.667 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: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -843.342625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.342625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.342625 (E_RNA) where: Base-Base interactions energy: -464.706 where: short stacking energy: -256.448 Base-Backbone interact. energy: -5.009 local terms energy: -373.627402 where: bonds (distance) C4'-P energy: -84.889 bonds (distance) P-C4' energy: -100.526 flat angles C4'-P-C4' energy: -102.843 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -43.986 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: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -701.093460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.093460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.093460 (E_RNA) where: Base-Base interactions energy: -394.629 where: short stacking energy: -217.302 Base-Backbone interact. energy: -1.526 local terms energy: -304.938504 where: bonds (distance) C4'-P energy: -79.250 bonds (distance) P-C4' energy: -86.820 flat angles C4'-P-C4' energy: -63.851 flat angles P-C4'-P energy: -50.425 tors. eta vs tors. theta energy: -24.592 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: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -527.394138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.394138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.394138 (E_RNA) where: Base-Base interactions energy: -224.088 where: short stacking energy: -161.741 Base-Backbone interact. energy: 9.025 local terms energy: -312.330838 where: bonds (distance) C4'-P energy: -87.878 bonds (distance) P-C4' energy: -95.334 flat angles C4'-P-C4' energy: -81.577 flat angles P-C4'-P energy: -63.578 tors. eta vs tors. theta energy: 16.036 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: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -470.692103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.692103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.692103 (E_RNA) where: Base-Base interactions energy: -191.062 where: short stacking energy: -159.147 Base-Backbone interact. energy: 0.313 local terms energy: -279.943241 where: bonds (distance) C4'-P energy: -72.285 bonds (distance) P-C4' energy: -77.897 flat angles C4'-P-C4' energy: -88.323 flat angles P-C4'-P energy: -37.347 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -437.150886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.150886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.150886 (E_RNA) where: Base-Base interactions energy: -177.468 where: short stacking energy: -139.439 Base-Backbone interact. energy: 0.944 local terms energy: -260.626761 where: bonds (distance) C4'-P energy: -83.143 bonds (distance) P-C4' energy: -97.076 flat angles C4'-P-C4' energy: -69.494 flat angles P-C4'-P energy: -28.707 tors. eta vs tors. theta energy: 17.792 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: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1471.206944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.206944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.206944 (E_RNA) where: Base-Base interactions energy: -939.945 where: short stacking energy: -465.627 Base-Backbone interact. energy: -0.022 local terms energy: -531.239881 where: bonds (distance) C4'-P energy: -120.216 bonds (distance) P-C4' energy: -95.300 flat angles C4'-P-C4' energy: -119.738 flat angles P-C4'-P energy: -82.247 tors. eta vs tors. theta energy: -113.739 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: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1263.909887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.909887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.909887 (E_RNA) where: Base-Base interactions energy: -780.964 where: short stacking energy: -394.018 Base-Backbone interact. energy: 0.195 local terms energy: -483.141033 where: bonds (distance) C4'-P energy: -109.347 bonds (distance) P-C4' energy: -110.318 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -70.327 tors. eta vs tors. theta energy: -90.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1267.328675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.328675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.328675 (E_RNA) where: Base-Base interactions energy: -765.801 where: short stacking energy: -406.405 Base-Backbone interact. energy: -3.057 local terms energy: -498.470554 where: bonds (distance) C4'-P energy: -100.300 bonds (distance) P-C4' energy: -108.756 flat angles C4'-P-C4' energy: -116.759 flat angles P-C4'-P energy: -70.080 tors. eta vs tors. theta energy: -102.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1066.567959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.567959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.567959 (E_RNA) where: Base-Base interactions energy: -600.533 where: short stacking energy: -329.035 Base-Backbone interact. energy: 0.631 local terms energy: -466.665449 where: bonds (distance) C4'-P energy: -105.738 bonds (distance) P-C4' energy: -112.011 flat angles C4'-P-C4' energy: -107.935 flat angles P-C4'-P energy: -73.516 tors. eta vs tors. theta energy: -67.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -955.102470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.102470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.102470 (E_RNA) where: Base-Base interactions energy: -550.738 where: short stacking energy: -293.560 Base-Backbone interact. energy: -0.423 local terms energy: -403.940644 where: bonds (distance) C4'-P energy: -98.568 bonds (distance) P-C4' energy: -93.543 flat angles C4'-P-C4' energy: -101.342 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -59.485 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: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -856.762065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.762065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.762065 (E_RNA) where: Base-Base interactions energy: -492.334 where: short stacking energy: -278.537 Base-Backbone interact. energy: 3.342 local terms energy: -367.770265 where: bonds (distance) C4'-P energy: -73.851 bonds (distance) P-C4' energy: -97.681 flat angles C4'-P-C4' energy: -112.646 flat angles P-C4'-P energy: -51.745 tors. eta vs tors. theta energy: -31.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -577.926089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.926089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.926089 (E_RNA) where: Base-Base interactions energy: -233.531 where: short stacking energy: -183.689 Base-Backbone interact. energy: -1.420 local terms energy: -342.975215 where: bonds (distance) C4'-P energy: -107.740 bonds (distance) P-C4' energy: -97.815 flat angles C4'-P-C4' energy: -85.281 flat angles P-C4'-P energy: -42.329 tors. eta vs tors. theta energy: -9.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -523.688263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.688263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.688263 (E_RNA) where: Base-Base interactions energy: -217.517 where: short stacking energy: -132.319 Base-Backbone interact. energy: -2.194 local terms energy: -303.977929 where: bonds (distance) C4'-P energy: -93.039 bonds (distance) P-C4' energy: -101.309 flat angles C4'-P-C4' energy: -86.889 flat angles P-C4'-P energy: -50.095 tors. eta vs tors. theta energy: 27.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -464.967580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.967580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.967580 (E_RNA) where: Base-Base interactions energy: -184.320 where: short stacking energy: -145.832 Base-Backbone interact. energy: 6.102 local terms energy: -286.749365 where: bonds (distance) C4'-P energy: -94.561 bonds (distance) P-C4' energy: -85.021 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -50.409 tors. eta vs tors. theta energy: 11.649 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: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -453.811852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.811852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.811852 (E_RNA) where: Base-Base interactions energy: -166.790 where: short stacking energy: -123.594 Base-Backbone interact. energy: -0.401 local terms energy: -286.620698 where: bonds (distance) C4'-P energy: -100.326 bonds (distance) P-C4' energy: -67.964 flat angles C4'-P-C4' energy: -64.436 flat angles P-C4'-P energy: -66.827 tors. eta vs tors. theta energy: 12.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1486.803196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.803196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.803196 (E_RNA) where: Base-Base interactions energy: -940.414 where: short stacking energy: -464.447 Base-Backbone interact. energy: -2.861 local terms energy: -543.528172 where: bonds (distance) C4'-P energy: -111.115 bonds (distance) P-C4' energy: -115.190 flat angles C4'-P-C4' energy: -107.181 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: -131.768 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: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1311.955446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.955446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.955446 (E_RNA) where: Base-Base interactions energy: -765.344 where: short stacking energy: -426.249 Base-Backbone interact. energy: -2.108 local terms energy: -544.502698 where: bonds (distance) C4'-P energy: -114.813 bonds (distance) P-C4' energy: -112.629 flat angles C4'-P-C4' energy: -126.765 flat angles P-C4'-P energy: -83.601 tors. eta vs tors. theta energy: -106.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1227.930619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.930619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.930619 (E_RNA) where: Base-Base interactions energy: -731.723 where: short stacking energy: -383.951 Base-Backbone interact. energy: 1.717 local terms energy: -497.924474 where: bonds (distance) C4'-P energy: -103.901 bonds (distance) P-C4' energy: -116.158 flat angles C4'-P-C4' energy: -114.894 flat angles P-C4'-P energy: -70.308 tors. eta vs tors. theta energy: -92.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1067.022164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.022164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.022164 (E_RNA) where: Base-Base interactions energy: -635.484 where: short stacking energy: -357.900 Base-Backbone interact. energy: -0.941 local terms energy: -430.597720 where: bonds (distance) C4'-P energy: -91.266 bonds (distance) P-C4' energy: -105.704 flat angles C4'-P-C4' energy: -102.673 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -60.278 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: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1001.783679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.783679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.783679 (E_RNA) where: Base-Base interactions energy: -581.296 where: short stacking energy: -323.534 Base-Backbone interact. energy: -3.670 local terms energy: -416.817776 where: bonds (distance) C4'-P energy: -93.252 bonds (distance) P-C4' energy: -99.115 flat angles C4'-P-C4' energy: -98.077 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -52.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -849.664947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.664947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.664947 (E_RNA) where: Base-Base interactions energy: -457.835 where: short stacking energy: -263.153 Base-Backbone interact. energy: -0.786 local terms energy: -391.044194 where: bonds (distance) C4'-P energy: -100.127 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -93.829 flat angles P-C4'-P energy: -52.157 tors. eta vs tors. theta energy: -53.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -576.827028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.827028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.827028 (E_RNA) where: Base-Base interactions energy: -265.021 where: short stacking energy: -164.120 Base-Backbone interact. energy: -1.845 local terms energy: -309.961709 where: bonds (distance) C4'-P energy: -106.661 bonds (distance) P-C4' energy: -101.172 flat angles C4'-P-C4' energy: -73.544 flat angles P-C4'-P energy: -36.965 tors. eta vs tors. theta energy: 8.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -572.782629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.782629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.782629 (E_RNA) where: Base-Base interactions energy: -245.101 where: short stacking energy: -179.502 Base-Backbone interact. energy: 2.173 local terms energy: -329.855177 where: bonds (distance) C4'-P energy: -98.139 bonds (distance) P-C4' energy: -90.131 flat angles C4'-P-C4' energy: -89.968 flat angles P-C4'-P energy: -33.773 tors. eta vs tors. theta energy: -17.845 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: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -510.155001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.155001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.155001 (E_RNA) where: Base-Base interactions energy: -206.969 where: short stacking energy: -162.139 Base-Backbone interact. energy: 3.536 local terms energy: -306.721998 where: bonds (distance) C4'-P energy: -91.777 bonds (distance) P-C4' energy: -84.223 flat angles C4'-P-C4' energy: -84.107 flat angles P-C4'-P energy: -47.220 tors. eta vs tors. theta energy: 0.604 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -449.570790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.570790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.570790 (E_RNA) where: Base-Base interactions energy: -190.628 where: short stacking energy: -132.516 Base-Backbone interact. energy: 1.454 local terms energy: -260.396599 where: bonds (distance) C4'-P energy: -76.258 bonds (distance) P-C4' energy: -112.601 flat angles C4'-P-C4' energy: -55.346 flat angles P-C4'-P energy: -23.524 tors. eta vs tors. theta energy: 7.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1556.661084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.661084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.661084 (E_RNA) where: Base-Base interactions energy: -1007.712 where: short stacking energy: -467.088 Base-Backbone interact. energy: -1.425 local terms energy: -547.524663 where: bonds (distance) C4'-P energy: -109.910 bonds (distance) P-C4' energy: -126.296 flat angles C4'-P-C4' energy: -114.883 flat angles P-C4'-P energy: -70.947 tors. eta vs tors. theta energy: -125.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1368.815372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.815372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.815372 (E_RNA) where: Base-Base interactions energy: -845.173 where: short stacking energy: -432.545 Base-Backbone interact. energy: 0.541 local terms energy: -524.183541 where: bonds (distance) C4'-P energy: -105.830 bonds (distance) P-C4' energy: -109.107 flat angles C4'-P-C4' energy: -114.075 flat angles P-C4'-P energy: -90.099 tors. eta vs tors. theta energy: -105.072 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: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1208.352154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.352154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.352154 (E_RNA) where: Base-Base interactions energy: -738.478 where: short stacking energy: -387.366 Base-Backbone interact. energy: -2.829 local terms energy: -467.045192 where: bonds (distance) C4'-P energy: -100.719 bonds (distance) P-C4' energy: -104.664 flat angles C4'-P-C4' energy: -94.110 flat angles P-C4'-P energy: -66.651 tors. eta vs tors. theta energy: -100.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1046.650375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.650375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.650375 (E_RNA) where: Base-Base interactions energy: -596.113 where: short stacking energy: -319.196 Base-Backbone interact. energy: -0.214 local terms energy: -450.322878 where: bonds (distance) C4'-P energy: -99.375 bonds (distance) P-C4' energy: -104.512 flat angles C4'-P-C4' energy: -103.150 flat angles P-C4'-P energy: -77.309 tors. eta vs tors. theta energy: -65.977 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: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1030.870316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.870316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.870316 (E_RNA) where: Base-Base interactions energy: -588.787 where: short stacking energy: -300.085 Base-Backbone interact. energy: -3.267 local terms energy: -438.815990 where: bonds (distance) C4'-P energy: -107.583 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -108.796 flat angles P-C4'-P energy: -69.045 tors. eta vs tors. theta energy: -54.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -885.650390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.650390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.650390 (E_RNA) where: Base-Base interactions energy: -486.605 where: short stacking energy: -279.212 Base-Backbone interact. energy: 1.594 local terms energy: -400.639112 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -97.694 flat angles C4'-P-C4' energy: -89.413 flat angles P-C4'-P energy: -64.810 tors. eta vs tors. theta energy: -41.869 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: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -601.716850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.716850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.716850 (E_RNA) where: Base-Base interactions energy: -246.921 where: short stacking energy: -192.519 Base-Backbone interact. energy: -0.772 local terms energy: -354.023203 where: bonds (distance) C4'-P energy: -86.594 bonds (distance) P-C4' energy: -107.571 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -6.910 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: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -606.861155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.861155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.861155 (E_RNA) where: Base-Base interactions energy: -259.612 where: short stacking energy: -200.933 Base-Backbone interact. energy: -2.934 local terms energy: -344.315276 where: bonds (distance) C4'-P energy: -90.271 bonds (distance) P-C4' energy: -86.965 flat angles C4'-P-C4' energy: -108.182 flat angles P-C4'-P energy: -46.319 tors. eta vs tors. theta energy: -12.578 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: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -497.108550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.108550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.108550 (E_RNA) where: Base-Base interactions energy: -186.613 where: short stacking energy: -130.382 Base-Backbone interact. energy: 0.634 local terms energy: -311.129132 where: bonds (distance) C4'-P energy: -94.374 bonds (distance) P-C4' energy: -97.965 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -48.363 tors. eta vs tors. theta energy: 0.754 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: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -426.487008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.487008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.487008 (E_RNA) where: Base-Base interactions energy: -147.589 where: short stacking energy: -112.543 Base-Backbone interact. energy: 3.013 local terms energy: -281.910787 where: bonds (distance) C4'-P energy: -89.843 bonds (distance) P-C4' energy: -102.512 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -38.957 tors. eta vs tors. theta energy: 13.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1585.845109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.845109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.845109 (E_RNA) where: Base-Base interactions energy: -1048.755 where: short stacking energy: -450.501 Base-Backbone interact. energy: -4.749 local terms energy: -532.341591 where: bonds (distance) C4'-P energy: -115.402 bonds (distance) P-C4' energy: -108.322 flat angles C4'-P-C4' energy: -121.120 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -121.918 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: 8 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1409.831482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.831482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.831482 (E_RNA) where: Base-Base interactions energy: -881.050 where: short stacking energy: -440.517 Base-Backbone interact. energy: -2.759 local terms energy: -526.021992 where: bonds (distance) C4'-P energy: -122.268 bonds (distance) P-C4' energy: -113.643 flat angles C4'-P-C4' energy: -117.353 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -99.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1233.434107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.434107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.434107 (E_RNA) where: Base-Base interactions energy: -782.161 where: short stacking energy: -396.764 Base-Backbone interact. energy: 0.412 local terms energy: -451.685535 where: bonds (distance) C4'-P energy: -101.349 bonds (distance) P-C4' energy: -99.754 flat angles C4'-P-C4' energy: -88.455 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -93.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1107.549818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.549818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.549818 (E_RNA) where: Base-Base interactions energy: -680.756 where: short stacking energy: -321.526 Base-Backbone interact. energy: -1.793 local terms energy: -425.001340 where: bonds (distance) C4'-P energy: -85.880 bonds (distance) P-C4' energy: -100.908 flat angles C4'-P-C4' energy: -101.765 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -58.160 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: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -945.749663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.749663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.749663 (E_RNA) where: Base-Base interactions energy: -515.395 where: short stacking energy: -268.385 Base-Backbone interact. energy: -0.668 local terms energy: -429.686382 where: bonds (distance) C4'-P energy: -92.066 bonds (distance) P-C4' energy: -104.790 flat angles C4'-P-C4' energy: -117.444 flat angles P-C4'-P energy: -59.373 tors. eta vs tors. theta energy: -56.014 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: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -916.805828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.805828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.805828 (E_RNA) where: Base-Base interactions energy: -523.047 where: short stacking energy: -281.137 Base-Backbone interact. energy: 0.154 local terms energy: -393.912874 where: bonds (distance) C4'-P energy: -84.967 bonds (distance) P-C4' energy: -99.737 flat angles C4'-P-C4' energy: -96.973 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -43.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -575.014579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.014579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.014579 (E_RNA) where: Base-Base interactions energy: -227.642 where: short stacking energy: -163.729 Base-Backbone interact. energy: -1.219 local terms energy: -346.154351 where: bonds (distance) C4'-P energy: -89.279 bonds (distance) P-C4' energy: -110.147 flat angles C4'-P-C4' energy: -97.828 flat angles P-C4'-P energy: -44.271 tors. eta vs tors. theta energy: -4.629 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: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -600.133513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.133513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.133513 (E_RNA) where: Base-Base interactions energy: -279.203 where: short stacking energy: -189.625 Base-Backbone interact. energy: -0.196 local terms energy: -320.734552 where: bonds (distance) C4'-P energy: -75.525 bonds (distance) P-C4' energy: -100.655 flat angles C4'-P-C4' energy: -85.432 flat angles P-C4'-P energy: -55.011 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -468.456571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.456571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.456571 (E_RNA) where: Base-Base interactions energy: -168.671 where: short stacking energy: -112.543 Base-Backbone interact. energy: 6.458 local terms energy: -306.243434 where: bonds (distance) C4'-P energy: -84.087 bonds (distance) P-C4' energy: -103.757 flat angles C4'-P-C4' energy: -95.373 flat angles P-C4'-P energy: -42.315 tors. eta vs tors. theta energy: 19.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -448.619838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.619838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.619838 (E_RNA) where: Base-Base interactions energy: -157.348 where: short stacking energy: -132.452 Base-Backbone interact. energy: -3.137 local terms energy: -288.134734 where: bonds (distance) C4'-P energy: -91.216 bonds (distance) P-C4' energy: -92.945 flat angles C4'-P-C4' energy: -81.051 flat angles P-C4'-P energy: -40.282 tors. eta vs tors. theta energy: 17.359 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: 18 Temperature: 0.900000 Total energy: -1545.530737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.530737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.530737 (E_RNA) where: Base-Base interactions energy: -988.307 where: short stacking energy: -441.746 Base-Backbone interact. energy: -1.800 local terms energy: -555.423985 where: bonds (distance) C4'-P energy: -110.071 bonds (distance) P-C4' energy: -112.363 flat angles C4'-P-C4' energy: -125.904 flat angles P-C4'-P energy: -83.830 tors. eta vs tors. theta energy: -123.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1362.720227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.720227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.720227 (E_RNA) where: Base-Base interactions energy: -849.345 where: short stacking energy: -451.525 Base-Backbone interact. energy: -2.304 local terms energy: -511.070909 where: bonds (distance) C4'-P energy: -108.909 bonds (distance) P-C4' energy: -102.846 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -79.051 tors. eta vs tors. theta energy: -108.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1264.100056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.100056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.100056 (E_RNA) where: Base-Base interactions energy: -753.204 where: short stacking energy: -416.834 Base-Backbone interact. energy: -0.828 local terms energy: -510.068472 where: bonds (distance) C4'-P energy: -110.821 bonds (distance) P-C4' energy: -112.224 flat angles C4'-P-C4' energy: -114.674 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -106.505 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: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1166.680949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.680949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.680949 (E_RNA) where: Base-Base interactions energy: -717.802 where: short stacking energy: -351.475 Base-Backbone interact. energy: -1.997 local terms energy: -446.881933 where: bonds (distance) C4'-P energy: -93.316 bonds (distance) P-C4' energy: -108.812 flat angles C4'-P-C4' energy: -106.001 flat angles P-C4'-P energy: -57.155 tors. eta vs tors. theta energy: -81.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -985.071775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.071775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.071775 (E_RNA) where: Base-Base interactions energy: -530.777 where: short stacking energy: -301.564 Base-Backbone interact. energy: -3.285 local terms energy: -451.009470 where: bonds (distance) C4'-P energy: -94.558 bonds (distance) P-C4' energy: -115.677 flat angles C4'-P-C4' energy: -101.105 flat angles P-C4'-P energy: -58.975 tors. eta vs tors. theta energy: -80.695 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: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -812.049500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.049500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.049500 (E_RNA) where: Base-Base interactions energy: -443.795 where: short stacking energy: -231.572 Base-Backbone interact. energy: 1.019 local terms energy: -369.274312 where: bonds (distance) C4'-P energy: -90.328 bonds (distance) P-C4' energy: -102.991 flat angles C4'-P-C4' energy: -89.833 flat angles P-C4'-P energy: -52.135 tors. eta vs tors. theta energy: -33.986 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: 1 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -608.619551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.619551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.619551 (E_RNA) where: Base-Base interactions energy: -256.527 where: short stacking energy: -176.601 Base-Backbone interact. energy: -2.412 local terms energy: -349.680262 where: bonds (distance) C4'-P energy: -110.313 bonds (distance) P-C4' energy: -103.827 flat angles C4'-P-C4' energy: -75.123 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: -7.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -643.713491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.713491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.713491 (E_RNA) where: Base-Base interactions energy: -313.231 where: short stacking energy: -210.358 Base-Backbone interact. energy: 0.778 local terms energy: -331.261180 where: bonds (distance) C4'-P energy: -88.243 bonds (distance) P-C4' energy: -104.652 flat angles C4'-P-C4' energy: -81.184 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -11.261 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: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -450.019563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.019563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.019563 (E_RNA) where: Base-Base interactions energy: -144.782 where: short stacking energy: -131.228 Base-Backbone interact. energy: -0.212 local terms energy: -305.025545 where: bonds (distance) C4'-P energy: -93.871 bonds (distance) P-C4' energy: -89.899 flat angles C4'-P-C4' energy: -80.480 flat angles P-C4'-P energy: -52.392 tors. eta vs tors. theta energy: 11.616 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: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -435.579373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.579373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.579373 (E_RNA) where: Base-Base interactions energy: -147.143 where: short stacking energy: -128.526 Base-Backbone interact. energy: -0.435 local terms energy: -288.002243 where: bonds (distance) C4'-P energy: -85.199 bonds (distance) P-C4' energy: -93.158 flat angles C4'-P-C4' energy: -79.842 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: 15.800 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1555.570506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.570506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.570506 (E_RNA) where: Base-Base interactions energy: -993.434 where: short stacking energy: -452.587 Base-Backbone interact. energy: -3.938 local terms energy: -558.198825 where: bonds (distance) C4'-P energy: -100.572 bonds (distance) P-C4' energy: -120.199 flat angles C4'-P-C4' energy: -120.085 flat angles P-C4'-P energy: -76.221 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: 2, replica: 8 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1340.035587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.035587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.035587 (E_RNA) where: Base-Base interactions energy: -814.012 where: short stacking energy: -451.074 Base-Backbone interact. energy: -2.162 local terms energy: -523.861300 where: bonds (distance) C4'-P energy: -110.810 bonds (distance) P-C4' energy: -102.127 flat angles C4'-P-C4' energy: -114.298 flat angles P-C4'-P energy: -77.672 tors. eta vs tors. theta energy: -118.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1227.296194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.296194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.296194 (E_RNA) where: Base-Base interactions energy: -741.238 where: short stacking energy: -399.313 Base-Backbone interact. energy: -1.206 local terms energy: -484.852392 where: bonds (distance) C4'-P energy: -103.063 bonds (distance) P-C4' energy: -98.684 flat angles C4'-P-C4' energy: -111.255 flat angles P-C4'-P energy: -73.075 tors. eta vs tors. theta energy: -98.776 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: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1158.484666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.484666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.484666 (E_RNA) where: Base-Base interactions energy: -701.013 where: short stacking energy: -368.832 Base-Backbone interact. energy: 2.170 local terms energy: -459.641680 where: bonds (distance) C4'-P energy: -99.097 bonds (distance) P-C4' energy: -112.418 flat angles C4'-P-C4' energy: -107.089 flat angles P-C4'-P energy: -61.917 tors. eta vs tors. theta energy: -79.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1022.159660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.159660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.159660 (E_RNA) where: Base-Base interactions energy: -617.089 where: short stacking energy: -313.938 Base-Backbone interact. energy: -1.177 local terms energy: -403.893810 where: bonds (distance) C4'-P energy: -82.175 bonds (distance) P-C4' energy: -105.347 flat angles C4'-P-C4' energy: -105.466 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -60.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -878.699253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.699253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.699253 (E_RNA) where: Base-Base interactions energy: -503.395 where: short stacking energy: -280.138 Base-Backbone interact. energy: 4.618 local terms energy: -379.921751 where: bonds (distance) C4'-P energy: -93.469 bonds (distance) P-C4' energy: -106.767 flat angles C4'-P-C4' energy: -77.899 flat angles P-C4'-P energy: -59.549 tors. eta vs tors. theta energy: -42.237 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: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -662.615566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.615566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.615566 (E_RNA) where: Base-Base interactions energy: -324.168 where: short stacking energy: -189.866 Base-Backbone interact. energy: 7.380 local terms energy: -345.827475 where: bonds (distance) C4'-P energy: -91.424 bonds (distance) P-C4' energy: -105.550 flat angles C4'-P-C4' energy: -90.064 flat angles P-C4'-P energy: -54.499 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -617.053416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.053416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.053416 (E_RNA) where: Base-Base interactions energy: -286.983 where: short stacking energy: -183.790 Base-Backbone interact. energy: 0.167 local terms energy: -330.237348 where: bonds (distance) C4'-P energy: -98.124 bonds (distance) P-C4' energy: -97.879 flat angles C4'-P-C4' energy: -92.558 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -511.362518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.362518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.362518 (E_RNA) where: Base-Base interactions energy: -182.064 where: short stacking energy: -172.963 Base-Backbone interact. energy: 1.566 local terms energy: -330.864621 where: bonds (distance) C4'-P energy: -89.178 bonds (distance) P-C4' energy: -103.688 flat angles C4'-P-C4' energy: -91.459 flat angles P-C4'-P energy: -40.253 tors. eta vs tors. theta energy: -6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -424.640232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.640232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.640232 (E_RNA) where: Base-Base interactions energy: -153.354 where: short stacking energy: -123.514 Base-Backbone interact. energy: 2.023 local terms energy: -273.309548 where: bonds (distance) C4'-P energy: -75.780 bonds (distance) P-C4' energy: -83.397 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -49.838 tors. eta vs tors. theta energy: 19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1566.606836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.606836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.606836 (E_RNA) where: Base-Base interactions energy: -1043.801 where: short stacking energy: -461.697 Base-Backbone interact. energy: -3.969 local terms energy: -518.836116 where: bonds (distance) C4'-P energy: -101.036 bonds (distance) P-C4' energy: -106.529 flat angles C4'-P-C4' energy: -118.523 flat angles P-C4'-P energy: -75.568 tors. eta vs tors. theta energy: -117.179 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: 8 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1335.089069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.089069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.089069 (E_RNA) where: Base-Base interactions energy: -812.725 where: short stacking energy: -446.583 Base-Backbone interact. energy: -1.234 local terms energy: -521.130381 where: bonds (distance) C4'-P energy: -103.817 bonds (distance) P-C4' energy: -112.441 flat angles C4'-P-C4' energy: -122.865 flat angles P-C4'-P energy: -75.011 tors. eta vs tors. theta energy: -106.997 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: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1215.464402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.464402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.464402 (E_RNA) where: Base-Base interactions energy: -748.559 where: short stacking energy: -363.233 Base-Backbone interact. energy: -2.156 local terms energy: -464.749177 where: bonds (distance) C4'-P energy: -102.302 bonds (distance) P-C4' energy: -106.450 flat angles C4'-P-C4' energy: -112.306 flat angles P-C4'-P energy: -69.343 tors. eta vs tors. theta energy: -74.349 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: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1123.167786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.167786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.167786 (E_RNA) where: Base-Base interactions energy: -652.108 where: short stacking energy: -333.991 Base-Backbone interact. energy: -0.141 local terms energy: -470.918920 where: bonds (distance) C4'-P energy: -111.419 bonds (distance) P-C4' energy: -101.920 flat angles C4'-P-C4' energy: -118.501 flat angles P-C4'-P energy: -55.093 tors. eta vs tors. theta energy: -83.987 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: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1077.622400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.622400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.622400 (E_RNA) where: Base-Base interactions energy: -639.233 where: short stacking energy: -335.443 Base-Backbone interact. energy: -2.419 local terms energy: -435.970464 where: bonds (distance) C4'-P energy: -99.257 bonds (distance) P-C4' energy: -104.587 flat angles C4'-P-C4' energy: -108.017 flat angles P-C4'-P energy: -56.577 tors. eta vs tors. theta energy: -67.532 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: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -841.349557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.349557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.349557 (E_RNA) where: Base-Base interactions energy: -460.948 where: short stacking energy: -262.613 Base-Backbone interact. energy: 0.335 local terms energy: -380.736824 where: bonds (distance) C4'-P energy: -103.374 bonds (distance) P-C4' energy: -108.190 flat angles C4'-P-C4' energy: -74.139 flat angles P-C4'-P energy: -54.128 tors. eta vs tors. theta energy: -40.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -644.011520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.011520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.011520 (E_RNA) where: Base-Base interactions energy: -309.038 where: short stacking energy: -203.047 Base-Backbone interact. energy: 2.018 local terms energy: -336.991329 where: bonds (distance) C4'-P energy: -83.725 bonds (distance) P-C4' energy: -94.668 flat angles C4'-P-C4' energy: -77.854 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -31.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -641.103307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.103307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.103307 (E_RNA) where: Base-Base interactions energy: -316.516 where: short stacking energy: -204.984 Base-Backbone interact. energy: -2.030 local terms energy: -322.557188 where: bonds (distance) C4'-P energy: -82.693 bonds (distance) P-C4' energy: -114.560 flat angles C4'-P-C4' energy: -78.171 flat angles P-C4'-P energy: -42.297 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -503.085315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.085315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.085315 (E_RNA) where: Base-Base interactions energy: -206.192 where: short stacking energy: -136.677 Base-Backbone interact. energy: 2.841 local terms energy: -299.734326 where: bonds (distance) C4'-P energy: -101.743 bonds (distance) P-C4' energy: -83.351 flat angles C4'-P-C4' energy: -80.525 flat angles P-C4'-P energy: -40.514 tors. eta vs tors. theta energy: 6.399 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: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -450.650477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.650477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.650477 (E_RNA) where: Base-Base interactions energy: -159.753 where: short stacking energy: -112.907 Base-Backbone interact. energy: -3.458 local terms energy: -287.439811 where: bonds (distance) C4'-P energy: -100.665 bonds (distance) P-C4' energy: -93.414 flat angles C4'-P-C4' energy: -75.234 flat angles P-C4'-P energy: -39.531 tors. eta vs tors. theta energy: 21.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1588.781985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.781985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.781985 (E_RNA) where: Base-Base interactions energy: -1034.783 where: short stacking energy: -468.864 Base-Backbone interact. energy: -2.495 local terms energy: -551.504274 where: bonds (distance) C4'-P energy: -118.716 bonds (distance) P-C4' energy: -116.022 flat angles C4'-P-C4' energy: -108.007 flat angles P-C4'-P energy: -78.498 tors. eta vs tors. theta energy: -130.261 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: 2, replica: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1368.977044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.977044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.977044 (E_RNA) where: Base-Base interactions energy: -863.679 where: short stacking energy: -446.187 Base-Backbone interact. energy: -4.001 local terms energy: -501.297397 where: bonds (distance) C4'-P energy: -102.417 bonds (distance) P-C4' energy: -108.410 flat angles C4'-P-C4' energy: -98.676 flat angles P-C4'-P energy: -79.701 tors. eta vs tors. theta energy: -112.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1244.574866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.574866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.574866 (E_RNA) where: Base-Base interactions energy: -768.916 where: short stacking energy: -371.688 Base-Backbone interact. energy: -2.776 local terms energy: -472.883036 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -116.277 flat angles C4'-P-C4' energy: -108.180 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: -76.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1157.492664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.492664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.492664 (E_RNA) where: Base-Base interactions energy: -698.496 where: short stacking energy: -369.830 Base-Backbone interact. energy: 0.121 local terms energy: -459.117842 where: bonds (distance) C4'-P energy: -102.637 bonds (distance) P-C4' energy: -91.377 flat angles C4'-P-C4' energy: -104.963 flat angles P-C4'-P energy: -71.841 tors. eta vs tors. theta energy: -88.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1183.553443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.553443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.553443 (E_RNA) where: Base-Base interactions energy: -718.401 where: short stacking energy: -380.676 Base-Backbone interact. energy: 1.248 local terms energy: -466.400312 where: bonds (distance) C4'-P energy: -104.214 bonds (distance) P-C4' energy: -111.739 flat angles C4'-P-C4' energy: -106.770 flat angles P-C4'-P energy: -64.831 tors. eta vs tors. theta energy: -78.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -837.352292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.352292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.352292 (E_RNA) where: Base-Base interactions energy: -473.390 where: short stacking energy: -245.908 Base-Backbone interact. energy: -3.379 local terms energy: -360.583442 where: bonds (distance) C4'-P energy: -95.905 bonds (distance) P-C4' energy: -96.366 flat angles C4'-P-C4' energy: -84.120 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -29.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -608.157526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.157526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.157526 (E_RNA) where: Base-Base interactions energy: -249.188 where: short stacking energy: -175.742 Base-Backbone interact. energy: -2.648 local terms energy: -356.321321 where: bonds (distance) C4'-P energy: -88.797 bonds (distance) P-C4' energy: -92.365 flat angles C4'-P-C4' energy: -92.660 flat angles P-C4'-P energy: -63.534 tors. eta vs tors. theta energy: -18.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -664.650123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.650123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.650123 (E_RNA) where: Base-Base interactions energy: -350.236 where: short stacking energy: -210.525 Base-Backbone interact. energy: 2.529 local terms energy: -316.943250 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -85.425 flat angles C4'-P-C4' energy: -81.309 flat angles P-C4'-P energy: -51.944 tors. eta vs tors. theta energy: -11.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -543.133468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.133468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.133468 (E_RNA) where: Base-Base interactions energy: -264.609 where: short stacking energy: -180.266 Base-Backbone interact. energy: -2.271 local terms energy: -276.253523 where: bonds (distance) C4'-P energy: -76.875 bonds (distance) P-C4' energy: -90.101 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -38.994 tors. eta vs tors. theta energy: 1.363 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: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -433.989492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.989492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.989492 (E_RNA) where: Base-Base interactions energy: -157.339 where: short stacking energy: -116.239 Base-Backbone interact. energy: -1.567 local terms energy: -275.083230 where: bonds (distance) C4'-P energy: -79.189 bonds (distance) P-C4' energy: -87.933 flat angles C4'-P-C4' energy: -86.354 flat angles P-C4'-P energy: -38.637 tors. eta vs tors. theta energy: 17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1603.305543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.305543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.305543 (E_RNA) where: Base-Base interactions energy: -1066.310 where: short stacking energy: -485.570 Base-Backbone interact. energy: 1.517 local terms energy: -538.512409 where: bonds (distance) C4'-P energy: -108.215 bonds (distance) P-C4' energy: -110.167 flat angles C4'-P-C4' energy: -105.788 flat angles P-C4'-P energy: -74.373 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: 2, replica: 8 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1369.128575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.128575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.128575 (E_RNA) where: Base-Base interactions energy: -861.178 where: short stacking energy: -448.676 Base-Backbone interact. energy: -2.654 local terms energy: -505.296761 where: bonds (distance) C4'-P energy: -89.332 bonds (distance) P-C4' energy: -112.037 flat angles C4'-P-C4' energy: -115.831 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -113.054 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: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1248.938614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.938614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.938614 (E_RNA) where: Base-Base interactions energy: -778.059 where: short stacking energy: -388.431 Base-Backbone interact. energy: -1.207 local terms energy: -469.673578 where: bonds (distance) C4'-P energy: -106.209 bonds (distance) P-C4' energy: -110.059 flat angles C4'-P-C4' energy: -95.906 flat angles P-C4'-P energy: -77.365 tors. eta vs tors. theta energy: -80.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1186.621836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.621836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.621836 (E_RNA) where: Base-Base interactions energy: -741.039 where: short stacking energy: -378.375 Base-Backbone interact. energy: -3.124 local terms energy: -442.457955 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -92.823 flat angles C4'-P-C4' energy: -105.675 flat angles P-C4'-P energy: -65.178 tors. eta vs tors. theta energy: -91.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1171.520957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.520957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.520957 (E_RNA) where: Base-Base interactions energy: -732.458 where: short stacking energy: -355.654 Base-Backbone interact. energy: -0.786 local terms energy: -438.277198 where: bonds (distance) C4'-P energy: -96.083 bonds (distance) P-C4' energy: -96.385 flat angles C4'-P-C4' energy: -114.715 flat angles P-C4'-P energy: -56.004 tors. eta vs tors. theta energy: -75.091 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: 22 Temperature: 1.150000 Total energy: -835.011373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.011373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.011373 (E_RNA) where: Base-Base interactions energy: -452.610 where: short stacking energy: -241.416 Base-Backbone interact. energy: -1.402 local terms energy: -380.999641 where: bonds (distance) C4'-P energy: -100.730 bonds (distance) P-C4' energy: -100.428 flat angles C4'-P-C4' energy: -92.052 flat angles P-C4'-P energy: -49.225 tors. eta vs tors. theta energy: -38.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -749.034127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.034127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.034127 (E_RNA) where: Base-Base interactions energy: -428.138 where: short stacking energy: -219.563 Base-Backbone interact. energy: 1.606 local terms energy: -322.501861 where: bonds (distance) C4'-P energy: -73.315 bonds (distance) P-C4' energy: -77.599 flat angles C4'-P-C4' energy: -107.501 flat angles P-C4'-P energy: -39.407 tors. eta vs tors. theta energy: -24.679 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: 22 Temperature: 1.250000 Total energy: -593.507319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.507319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.507319 (E_RNA) where: Base-Base interactions energy: -259.480 where: short stacking energy: -176.338 Base-Backbone interact. energy: 1.818 local terms energy: -335.845671 where: bonds (distance) C4'-P energy: -71.992 bonds (distance) P-C4' energy: -101.860 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -54.659 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -479.926471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.926471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.926471 (E_RNA) where: Base-Base interactions energy: -173.133 where: short stacking energy: -159.802 Base-Backbone interact. energy: 2.897 local terms energy: -309.690891 where: bonds (distance) C4'-P energy: -85.063 bonds (distance) P-C4' energy: -97.117 flat angles C4'-P-C4' energy: -93.677 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: 11.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -514.422539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.422539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.422539 (E_RNA) where: Base-Base interactions energy: -208.751 where: short stacking energy: -116.643 Base-Backbone interact. energy: 7.218 local terms energy: -312.889530 where: bonds (distance) C4'-P energy: -110.989 bonds (distance) P-C4' energy: -92.544 flat angles C4'-P-C4' energy: -95.679 flat angles P-C4'-P energy: -38.013 tors. eta vs tors. theta energy: 24.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1569.147605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.147605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.147605 (E_RNA) where: Base-Base interactions energy: -1009.105 where: short stacking energy: -475.103 Base-Backbone interact. energy: -3.812 local terms energy: -556.230404 where: bonds (distance) C4'-P energy: -108.468 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -126.384 flat angles P-C4'-P energy: -73.495 tors. eta vs tors. theta energy: -132.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1415.847632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.847632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.847632 (E_RNA) where: Base-Base interactions energy: -901.671 where: short stacking energy: -423.510 Base-Backbone interact. energy: -4.586 local terms energy: -509.590355 where: bonds (distance) C4'-P energy: -110.357 bonds (distance) P-C4' energy: -116.471 flat angles C4'-P-C4' energy: -107.303 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: -103.268 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: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1273.681398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.681398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.681398 (E_RNA) where: Base-Base interactions energy: -803.941 where: short stacking energy: -374.908 Base-Backbone interact. energy: -0.727 local terms energy: -469.013850 where: bonds (distance) C4'-P energy: -94.327 bonds (distance) P-C4' energy: -98.469 flat angles C4'-P-C4' energy: -104.484 flat angles P-C4'-P energy: -82.087 tors. eta vs tors. theta energy: -89.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1246.903442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.903442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.903442 (E_RNA) where: Base-Base interactions energy: -766.380 where: short stacking energy: -374.137 Base-Backbone interact. energy: -0.633 local terms energy: -479.890883 where: bonds (distance) C4'-P energy: -96.879 bonds (distance) P-C4' energy: -97.200 flat angles C4'-P-C4' energy: -118.242 flat angles P-C4'-P energy: -61.051 tors. eta vs tors. theta energy: -106.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1205.845274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.845274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.845274 (E_RNA) where: Base-Base interactions energy: -757.661 where: short stacking energy: -361.404 Base-Backbone interact. energy: 0.664 local terms energy: -448.848300 where: bonds (distance) C4'-P energy: -107.833 bonds (distance) P-C4' energy: -85.940 flat angles C4'-P-C4' energy: -106.902 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: -74.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -858.073444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.073444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.073444 (E_RNA) where: Base-Base interactions energy: -477.562 where: short stacking energy: -276.847 Base-Backbone interact. energy: 3.957 local terms energy: -384.468813 where: bonds (distance) C4'-P energy: -94.917 bonds (distance) P-C4' energy: -111.001 flat angles C4'-P-C4' energy: -76.984 flat angles P-C4'-P energy: -65.953 tors. eta vs tors. theta energy: -35.614 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: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -799.820115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.820115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.820115 (E_RNA) where: Base-Base interactions energy: -434.507 where: short stacking energy: -248.913 Base-Backbone interact. energy: -0.758 local terms energy: -364.554659 where: bonds (distance) C4'-P energy: -85.283 bonds (distance) P-C4' energy: -108.103 flat angles C4'-P-C4' energy: -92.094 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -27.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -548.099715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.099715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.099715 (E_RNA) where: Base-Base interactions energy: -233.746 where: short stacking energy: -175.655 Base-Backbone interact. energy: -3.281 local terms energy: -311.072922 where: bonds (distance) C4'-P energy: -65.833 bonds (distance) P-C4' energy: -98.210 flat angles C4'-P-C4' energy: -81.816 flat angles P-C4'-P energy: -60.254 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -466.405589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.405589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.405589 (E_RNA) where: Base-Base interactions energy: -178.744 where: short stacking energy: -155.888 Base-Backbone interact. energy: -1.233 local terms energy: -286.428929 where: bonds (distance) C4'-P energy: -74.316 bonds (distance) P-C4' energy: -84.285 flat angles C4'-P-C4' energy: -82.118 flat angles P-C4'-P energy: -44.998 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -527.702982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.702982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.702982 (E_RNA) where: Base-Base interactions energy: -249.982 where: short stacking energy: -158.495 Base-Backbone interact. energy: -0.673 local terms energy: -277.048185 where: bonds (distance) C4'-P energy: -80.812 bonds (distance) P-C4' energy: -89.187 flat angles C4'-P-C4' energy: -73.699 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: 7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1586.136784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.136784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.136784 (E_RNA) where: Base-Base interactions energy: -1039.158 where: short stacking energy: -485.457 Base-Backbone interact. energy: -4.094 local terms energy: -542.885159 where: bonds (distance) C4'-P energy: -110.753 bonds (distance) P-C4' energy: -98.527 flat angles C4'-P-C4' energy: -125.091 flat angles P-C4'-P energy: -77.551 tors. eta vs tors. theta energy: -130.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1415.138726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.138726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.138726 (E_RNA) where: Base-Base interactions energy: -911.193 where: short stacking energy: -440.015 Base-Backbone interact. energy: -4.320 local terms energy: -499.626195 where: bonds (distance) C4'-P energy: -96.174 bonds (distance) P-C4' energy: -111.877 flat angles C4'-P-C4' energy: -111.745 flat angles P-C4'-P energy: -80.614 tors. eta vs tors. theta energy: -99.216 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1293.773055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.773055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.773055 (E_RNA) where: Base-Base interactions energy: -820.802 where: short stacking energy: -425.159 Base-Backbone interact. energy: 3.115 local terms energy: -476.086836 where: bonds (distance) C4'-P energy: -100.553 bonds (distance) P-C4' energy: -109.859 flat angles C4'-P-C4' energy: -106.590 flat angles P-C4'-P energy: -64.817 tors. eta vs tors. theta energy: -94.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1255.627836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.627836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.627836 (E_RNA) where: Base-Base interactions energy: -779.683 where: short stacking energy: -367.023 Base-Backbone interact. energy: -1.702 local terms energy: -474.242948 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -93.705 flat angles C4'-P-C4' energy: -113.347 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -97.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1203.403415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.403415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.403415 (E_RNA) where: Base-Base interactions energy: -773.682 where: short stacking energy: -369.806 Base-Backbone interact. energy: -1.542 local terms energy: -428.179985 where: bonds (distance) C4'-P energy: -90.465 bonds (distance) P-C4' energy: -103.677 flat angles C4'-P-C4' energy: -88.440 flat angles P-C4'-P energy: -60.223 tors. eta vs tors. theta energy: -85.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -900.998994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.998994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.998994 (E_RNA) where: Base-Base interactions energy: -514.963 where: short stacking energy: -270.473 Base-Backbone interact. energy: -1.769 local terms energy: -384.267505 where: bonds (distance) C4'-P energy: -78.786 bonds (distance) P-C4' energy: -98.654 flat angles C4'-P-C4' energy: -95.334 flat angles P-C4'-P energy: -66.186 tors. eta vs tors. theta energy: -45.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -856.137471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.137471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.137471 (E_RNA) where: Base-Base interactions energy: -479.243 where: short stacking energy: -287.184 Base-Backbone interact. energy: -0.338 local terms energy: -376.556313 where: bonds (distance) C4'-P energy: -96.841 bonds (distance) P-C4' energy: -107.653 flat angles C4'-P-C4' energy: -72.009 flat angles P-C4'-P energy: -50.357 tors. eta vs tors. theta energy: -49.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -596.826435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.826435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.826435 (E_RNA) where: Base-Base interactions energy: -291.215 where: short stacking energy: -169.172 Base-Backbone interact. energy: -3.597 local terms energy: -302.014645 where: bonds (distance) C4'-P energy: -72.723 bonds (distance) P-C4' energy: -99.346 flat angles C4'-P-C4' energy: -87.627 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: 10.855 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: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -614.376269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.376269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.376269 (E_RNA) where: Base-Base interactions energy: -298.812 where: short stacking energy: -147.661 Base-Backbone interact. energy: -1.090 local terms energy: -314.474672 where: bonds (distance) C4'-P energy: -89.614 bonds (distance) P-C4' energy: -97.638 flat angles C4'-P-C4' energy: -77.244 flat angles P-C4'-P energy: -43.969 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -420.647558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.647558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.647558 (E_RNA) where: Base-Base interactions energy: -164.548 where: short stacking energy: -125.338 Base-Backbone interact. energy: 0.090 local terms energy: -256.189552 where: bonds (distance) C4'-P energy: -84.184 bonds (distance) P-C4' energy: -89.764 flat angles C4'-P-C4' energy: -63.486 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: 21.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1614.550198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.550198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.550198 (E_RNA) where: Base-Base interactions energy: -1054.900 where: short stacking energy: -493.622 Base-Backbone interact. energy: -0.791 local terms energy: -558.858895 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -112.808 flat angles C4'-P-C4' energy: -125.437 flat angles P-C4'-P energy: -78.329 tors. eta vs tors. theta energy: -131.222 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: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1430.817862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.817862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.817862 (E_RNA) where: Base-Base interactions energy: -901.638 where: short stacking energy: -444.330 Base-Backbone interact. energy: -3.483 local terms energy: -525.697173 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -118.199 flat angles C4'-P-C4' energy: -122.813 flat angles P-C4'-P energy: -74.277 tors. eta vs tors. theta energy: -116.480 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: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1334.202723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.202723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.202723 (E_RNA) where: Base-Base interactions energy: -825.055 where: short stacking energy: -435.423 Base-Backbone interact. energy: 4.938 local terms energy: -514.086007 where: bonds (distance) C4'-P energy: -103.213 bonds (distance) P-C4' energy: -100.979 flat angles C4'-P-C4' energy: -116.095 flat angles P-C4'-P energy: -78.365 tors. eta vs tors. theta energy: -115.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1285.769705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.769705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.769705 (E_RNA) where: Base-Base interactions energy: -846.138 where: short stacking energy: -399.853 Base-Backbone interact. energy: 5.651 local terms energy: -445.283168 where: bonds (distance) C4'-P energy: -99.254 bonds (distance) P-C4' energy: -105.111 flat angles C4'-P-C4' energy: -90.778 flat angles P-C4'-P energy: -67.625 tors. eta vs tors. theta energy: -82.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1162.000706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.000706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.000706 (E_RNA) where: Base-Base interactions energy: -716.270 where: short stacking energy: -380.421 Base-Backbone interact. energy: -1.085 local terms energy: -444.645735 where: bonds (distance) C4'-P energy: -91.865 bonds (distance) P-C4' energy: -112.184 flat angles C4'-P-C4' energy: -88.239 flat angles P-C4'-P energy: -53.750 tors. eta vs tors. theta energy: -98.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -873.611444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.611444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.611444 (E_RNA) where: Base-Base interactions energy: -473.070 where: short stacking energy: -243.020 Base-Backbone interact. energy: -2.961 local terms energy: -397.581251 where: bonds (distance) C4'-P energy: -94.169 bonds (distance) P-C4' energy: -97.641 flat angles C4'-P-C4' energy: -104.402 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: -48.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -867.469626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.469626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.469626 (E_RNA) where: Base-Base interactions energy: -486.382 where: short stacking energy: -267.457 Base-Backbone interact. energy: 5.336 local terms energy: -386.423915 where: bonds (distance) C4'-P energy: -77.928 bonds (distance) P-C4' energy: -113.708 flat angles C4'-P-C4' energy: -84.493 flat angles P-C4'-P energy: -61.526 tors. eta vs tors. theta energy: -48.768 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: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -676.634311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.634311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.634311 (E_RNA) where: Base-Base interactions energy: -319.325 where: short stacking energy: -197.701 Base-Backbone interact. energy: 0.027 local terms energy: -357.336515 where: bonds (distance) C4'-P energy: -94.964 bonds (distance) P-C4' energy: -114.852 flat angles C4'-P-C4' energy: -89.254 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -14.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -553.978912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.978912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.978912 (E_RNA) where: Base-Base interactions energy: -253.310 where: short stacking energy: -153.895 Base-Backbone interact. energy: 2.858 local terms energy: -303.527336 where: bonds (distance) C4'-P energy: -89.973 bonds (distance) P-C4' energy: -102.833 flat angles C4'-P-C4' energy: -79.826 flat angles P-C4'-P energy: -35.217 tors. eta vs tors. theta energy: 4.323 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: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -434.612237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.612237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.612237 (E_RNA) where: Base-Base interactions energy: -157.012 where: short stacking energy: -126.596 Base-Backbone interact. energy: -0.573 local terms energy: -277.027416 where: bonds (distance) C4'-P energy: -91.835 bonds (distance) P-C4' energy: -92.229 flat angles C4'-P-C4' energy: -62.104 flat angles P-C4'-P energy: -42.183 tors. eta vs tors. theta energy: 11.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1598.508152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.508152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.508152 (E_RNA) where: Base-Base interactions energy: -1066.133 where: short stacking energy: -473.821 Base-Backbone interact. energy: -3.103 local terms energy: -529.272013 where: bonds (distance) C4'-P energy: -99.998 bonds (distance) P-C4' energy: -114.796 flat angles C4'-P-C4' energy: -123.686 flat angles P-C4'-P energy: -64.102 tors. eta vs tors. theta energy: -126.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1454.946528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.946528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.946528 (E_RNA) where: Base-Base interactions energy: -936.640 where: short stacking energy: -443.250 Base-Backbone interact. energy: -3.283 local terms energy: -515.023513 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -100.356 flat angles C4'-P-C4' energy: -115.129 flat angles P-C4'-P energy: -78.157 tors. eta vs tors. theta energy: -116.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1341.380925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.380925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.380925 (E_RNA) where: Base-Base interactions energy: -851.144 where: short stacking energy: -427.679 Base-Backbone interact. energy: -1.417 local terms energy: -488.819635 where: bonds (distance) C4'-P energy: -94.076 bonds (distance) P-C4' energy: -106.724 flat angles C4'-P-C4' energy: -110.853 flat angles P-C4'-P energy: -73.851 tors. eta vs tors. theta energy: -103.316 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: 26 Temperature: 1.050000 Total energy: -1263.864796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.864796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.864796 (E_RNA) where: Base-Base interactions energy: -783.335 where: short stacking energy: -390.396 Base-Backbone interact. energy: -0.920 local terms energy: -479.609491 where: bonds (distance) C4'-P energy: -102.939 bonds (distance) P-C4' energy: -107.631 flat angles C4'-P-C4' energy: -107.692 flat angles P-C4'-P energy: -71.525 tors. eta vs tors. theta energy: -89.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1034.928079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.928079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.928079 (E_RNA) where: Base-Base interactions energy: -607.940 where: short stacking energy: -325.945 Base-Backbone interact. energy: -0.570 local terms energy: -426.417683 where: bonds (distance) C4'-P energy: -87.072 bonds (distance) P-C4' energy: -111.416 flat angles C4'-P-C4' energy: -103.644 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -81.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -865.079228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.079228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.079228 (E_RNA) where: Base-Base interactions energy: -454.358 where: short stacking energy: -261.940 Base-Backbone interact. energy: -0.416 local terms energy: -410.305211 where: bonds (distance) C4'-P energy: -96.499 bonds (distance) P-C4' energy: -103.216 flat angles C4'-P-C4' energy: -89.081 flat angles P-C4'-P energy: -77.524 tors. eta vs tors. theta energy: -43.986 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: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -887.556746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.556746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.556746 (E_RNA) where: Base-Base interactions energy: -535.657 where: short stacking energy: -258.225 Base-Backbone interact. energy: -2.773 local terms energy: -349.127348 where: bonds (distance) C4'-P energy: -94.168 bonds (distance) P-C4' energy: -80.155 flat angles C4'-P-C4' energy: -89.296 flat angles P-C4'-P energy: -47.861 tors. eta vs tors. theta energy: -37.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -679.914135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.914135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.914135 (E_RNA) where: Base-Base interactions energy: -334.248 where: short stacking energy: -188.216 Base-Backbone interact. energy: -0.823 local terms energy: -344.842902 where: bonds (distance) C4'-P energy: -80.020 bonds (distance) P-C4' energy: -98.714 flat angles C4'-P-C4' energy: -90.441 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -524.896051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.896051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.896051 (E_RNA) where: Base-Base interactions energy: -212.245 where: short stacking energy: -140.626 Base-Backbone interact. energy: 0.514 local terms energy: -313.165100 where: bonds (distance) C4'-P energy: -85.690 bonds (distance) P-C4' energy: -98.131 flat angles C4'-P-C4' energy: -77.420 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -417.347063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.347063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.347063 (E_RNA) where: Base-Base interactions energy: -168.461 where: short stacking energy: -143.759 Base-Backbone interact. energy: 8.085 local terms energy: -256.970943 where: bonds (distance) C4'-P energy: -74.818 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -69.453 flat angles P-C4'-P energy: -34.312 tors. eta vs tors. theta energy: 6.028 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: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1604.446609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.446609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.446609 (E_RNA) where: Base-Base interactions energy: -1050.698 where: short stacking energy: -489.931 Base-Backbone interact. energy: -3.406 local terms energy: -550.342829 where: bonds (distance) C4'-P energy: -105.835 bonds (distance) P-C4' energy: -113.248 flat angles C4'-P-C4' energy: -124.768 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -128.882 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: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1489.860993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.860993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.860993 (E_RNA) where: Base-Base interactions energy: -957.803 where: short stacking energy: -484.501 Base-Backbone interact. energy: 0.645 local terms energy: -532.703757 where: bonds (distance) C4'-P energy: -109.464 bonds (distance) P-C4' energy: -111.824 flat angles C4'-P-C4' energy: -110.487 flat angles P-C4'-P energy: -76.054 tors. eta vs tors. theta energy: -124.875 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1354.260496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.260496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.260496 (E_RNA) where: Base-Base interactions energy: -845.914 where: short stacking energy: -423.435 Base-Backbone interact. energy: -1.593 local terms energy: -506.753306 where: bonds (distance) C4'-P energy: -108.253 bonds (distance) P-C4' energy: -102.483 flat angles C4'-P-C4' energy: -117.143 flat angles P-C4'-P energy: -67.210 tors. eta vs tors. theta energy: -111.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1301.286135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.286135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.286135 (E_RNA) where: Base-Base interactions energy: -802.442 where: short stacking energy: -387.313 Base-Backbone interact. energy: -3.078 local terms energy: -495.766395 where: bonds (distance) C4'-P energy: -100.003 bonds (distance) P-C4' energy: -113.497 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -103.168 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: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1009.595086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.595086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.595086 (E_RNA) where: Base-Base interactions energy: -583.110 where: short stacking energy: -282.461 Base-Backbone interact. energy: 2.258 local terms energy: -428.742339 where: bonds (distance) C4'-P energy: -102.832 bonds (distance) P-C4' energy: -102.241 flat angles C4'-P-C4' energy: -94.995 flat angles P-C4'-P energy: -75.954 tors. eta vs tors. theta energy: -52.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -882.187666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.187666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.187666 (E_RNA) where: Base-Base interactions energy: -470.168 where: short stacking energy: -258.865 Base-Backbone interact. energy: -1.717 local terms energy: -410.302327 where: bonds (distance) C4'-P energy: -107.686 bonds (distance) P-C4' energy: -92.935 flat angles C4'-P-C4' energy: -98.277 flat angles P-C4'-P energy: -59.911 tors. eta vs tors. theta energy: -51.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -872.165859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.165859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.165859 (E_RNA) where: Base-Base interactions energy: -488.554 where: short stacking energy: -219.783 Base-Backbone interact. energy: -1.732 local terms energy: -381.879307 where: bonds (distance) C4'-P energy: -94.349 bonds (distance) P-C4' energy: -97.903 flat angles C4'-P-C4' energy: -95.957 flat angles P-C4'-P energy: -61.145 tors. eta vs tors. theta energy: -32.525 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: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -698.455101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.455101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.455101 (E_RNA) where: Base-Base interactions energy: -360.010 where: short stacking energy: -224.620 Base-Backbone interact. energy: -0.269 local terms energy: -338.176680 where: bonds (distance) C4'-P energy: -83.836 bonds (distance) P-C4' energy: -91.806 flat angles C4'-P-C4' energy: -94.403 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -521.728020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.728020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.728020 (E_RNA) where: Base-Base interactions energy: -212.296 where: short stacking energy: -154.104 Base-Backbone interact. energy: -1.535 local terms energy: -307.897514 where: bonds (distance) C4'-P energy: -82.521 bonds (distance) P-C4' energy: -102.013 flat angles C4'-P-C4' energy: -75.841 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -458.854799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.854799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.854799 (E_RNA) where: Base-Base interactions energy: -184.487 where: short stacking energy: -149.834 Base-Backbone interact. energy: -2.528 local terms energy: -271.839645 where: bonds (distance) C4'-P energy: -89.281 bonds (distance) P-C4' energy: -90.165 flat angles C4'-P-C4' energy: -68.146 flat angles P-C4'-P energy: -39.343 tors. eta vs tors. theta energy: 15.096 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: 28 Temperature: 0.900000 Total energy: -1609.637636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.637636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.637636 (E_RNA) where: Base-Base interactions energy: -1079.019 where: short stacking energy: -490.744 Base-Backbone interact. energy: -2.363 local terms energy: -528.256150 where: bonds (distance) C4'-P energy: -104.271 bonds (distance) P-C4' energy: -101.711 flat angles C4'-P-C4' energy: -124.224 flat angles P-C4'-P energy: -69.831 tors. eta vs tors. theta energy: -128.219 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: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1462.460361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.460361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.460361 (E_RNA) where: Base-Base interactions energy: -944.504 where: short stacking energy: -446.110 Base-Backbone interact. energy: -1.933 local terms energy: -516.024098 where: bonds (distance) C4'-P energy: -110.753 bonds (distance) P-C4' energy: -108.384 flat angles C4'-P-C4' energy: -102.973 flat angles P-C4'-P energy: -81.279 tors. eta vs tors. theta energy: -112.636 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: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1361.723978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.723978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.723978 (E_RNA) where: Base-Base interactions energy: -866.933 where: short stacking energy: -428.735 Base-Backbone interact. energy: -1.462 local terms energy: -493.329623 where: bonds (distance) C4'-P energy: -108.757 bonds (distance) P-C4' energy: -105.214 flat angles C4'-P-C4' energy: -99.423 flat angles P-C4'-P energy: -69.486 tors. eta vs tors. theta energy: -110.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1355.116873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.116873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.116873 (E_RNA) where: Base-Base interactions energy: -843.988 where: short stacking energy: -409.706 Base-Backbone interact. energy: 2.059 local terms energy: -513.187684 where: bonds (distance) C4'-P energy: -101.950 bonds (distance) P-C4' energy: -102.385 flat angles C4'-P-C4' energy: -115.723 flat angles P-C4'-P energy: -79.692 tors. eta vs tors. theta energy: -113.438 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: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1092.385839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.385839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.385839 (E_RNA) where: Base-Base interactions energy: -663.273 where: short stacking energy: -344.737 Base-Backbone interact. energy: -2.017 local terms energy: -427.096756 where: bonds (distance) C4'-P energy: -90.089 bonds (distance) P-C4' energy: -89.842 flat angles C4'-P-C4' energy: -102.444 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -76.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -967.706167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.706167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.706167 (E_RNA) where: Base-Base interactions energy: -551.738 where: short stacking energy: -269.651 Base-Backbone interact. energy: -1.470 local terms energy: -414.498199 where: bonds (distance) C4'-P energy: -95.018 bonds (distance) P-C4' energy: -100.405 flat angles C4'-P-C4' energy: -99.572 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -57.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -840.470027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.470027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.470027 (E_RNA) where: Base-Base interactions energy: -466.523 where: short stacking energy: -224.854 Base-Backbone interact. energy: -0.181 local terms energy: -373.765460 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -99.561 flat angles C4'-P-C4' energy: -93.292 flat angles P-C4'-P energy: -69.563 tors. eta vs tors. theta energy: -19.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -680.467456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.467456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.467456 (E_RNA) where: Base-Base interactions energy: -335.386 where: short stacking energy: -209.729 Base-Backbone interact. energy: -2.414 local terms energy: -342.667501 where: bonds (distance) C4'-P energy: -97.353 bonds (distance) P-C4' energy: -97.790 flat angles C4'-P-C4' energy: -95.419 flat angles P-C4'-P energy: -34.364 tors. eta vs tors. theta energy: -17.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -529.974441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.974441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.974441 (E_RNA) where: Base-Base interactions energy: -217.766 where: short stacking energy: -144.187 Base-Backbone interact. energy: 1.220 local terms energy: -313.428599 where: bonds (distance) C4'-P energy: -82.716 bonds (distance) P-C4' energy: -93.806 flat angles C4'-P-C4' energy: -83.844 flat angles P-C4'-P energy: -53.265 tors. eta vs tors. theta energy: 0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -467.938122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.938122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.938122 (E_RNA) where: Base-Base interactions energy: -179.137 where: short stacking energy: -141.606 Base-Backbone interact. energy: 2.154 local terms energy: -290.954488 where: bonds (distance) C4'-P energy: -94.491 bonds (distance) P-C4' energy: -85.886 flat angles C4'-P-C4' energy: -78.577 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: 5.690 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: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1612.764915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.764915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.764915 (E_RNA) where: Base-Base interactions energy: -1064.781 where: short stacking energy: -465.938 Base-Backbone interact. energy: -3.009 local terms energy: -544.974907 where: bonds (distance) C4'-P energy: -109.835 bonds (distance) P-C4' energy: -107.512 flat angles C4'-P-C4' energy: -121.652 flat angles P-C4'-P energy: -80.101 tors. eta vs tors. theta energy: -125.875 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: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1497.428085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.428085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.428085 (E_RNA) where: Base-Base interactions energy: -982.062 where: short stacking energy: -463.549 Base-Backbone interact. energy: -2.265 local terms energy: -513.100826 where: bonds (distance) C4'-P energy: -104.900 bonds (distance) P-C4' energy: -108.571 flat angles C4'-P-C4' energy: -114.084 flat angles P-C4'-P energy: -70.979 tors. eta vs tors. theta energy: -114.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1391.609378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.609378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.609378 (E_RNA) where: Base-Base interactions energy: -895.336 where: short stacking energy: -442.054 Base-Backbone interact. energy: -1.888 local terms energy: -494.385095 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -96.836 flat angles C4'-P-C4' energy: -116.376 flat angles P-C4'-P energy: -67.642 tors. eta vs tors. theta energy: -106.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1258.842978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.842978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.842978 (E_RNA) where: Base-Base interactions energy: -803.636 where: short stacking energy: -372.403 Base-Backbone interact. energy: 3.950 local terms energy: -459.156745 where: bonds (distance) C4'-P energy: -100.679 bonds (distance) P-C4' energy: -101.321 flat angles C4'-P-C4' energy: -93.751 flat angles P-C4'-P energy: -68.775 tors. eta vs tors. theta energy: -94.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1063.374071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.374071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.374071 (E_RNA) where: Base-Base interactions energy: -630.414 where: short stacking energy: -322.533 Base-Backbone interact. energy: -5.396 local terms energy: -427.563377 where: bonds (distance) C4'-P energy: -94.048 bonds (distance) P-C4' energy: -99.279 flat angles C4'-P-C4' energy: -103.027 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -64.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -986.909603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.909603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.909603 (E_RNA) where: Base-Base interactions energy: -584.236 where: short stacking energy: -295.748 Base-Backbone interact. energy: -1.563 local terms energy: -401.109976 where: bonds (distance) C4'-P energy: -98.868 bonds (distance) P-C4' energy: -96.112 flat angles C4'-P-C4' energy: -103.384 flat angles P-C4'-P energy: -48.626 tors. eta vs tors. theta energy: -54.120 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: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -847.574196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.574196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.574196 (E_RNA) where: Base-Base interactions energy: -442.175 where: short stacking energy: -237.146 Base-Backbone interact. energy: -1.201 local terms energy: -404.198621 where: bonds (distance) C4'-P energy: -98.120 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -95.344 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -37.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -682.844309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.844309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.844309 (E_RNA) where: Base-Base interactions energy: -330.062 where: short stacking energy: -184.595 Base-Backbone interact. energy: -1.956 local terms energy: -350.827087 where: bonds (distance) C4'-P energy: -80.957 bonds (distance) P-C4' energy: -109.040 flat angles C4'-P-C4' energy: -82.335 flat angles P-C4'-P energy: -59.555 tors. eta vs tors. theta energy: -18.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -502.195135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.195135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.195135 (E_RNA) where: Base-Base interactions energy: -197.252 where: short stacking energy: -142.593 Base-Backbone interact. energy: 0.239 local terms energy: -305.181521 where: bonds (distance) C4'-P energy: -91.670 bonds (distance) P-C4' energy: -98.541 flat angles C4'-P-C4' energy: -81.711 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: 13.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -453.123634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.123634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.123634 (E_RNA) where: Base-Base interactions energy: -178.158 where: short stacking energy: -146.928 Base-Backbone interact. energy: -1.181 local terms energy: -273.784257 where: bonds (distance) C4'-P energy: -66.016 bonds (distance) P-C4' energy: -93.297 flat angles C4'-P-C4' energy: -78.653 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: 3.002 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: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1584.375160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.375160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.375160 (E_RNA) where: Base-Base interactions energy: -1032.341 where: short stacking energy: -478.935 Base-Backbone interact. energy: -1.602 local terms energy: -550.431743 where: bonds (distance) C4'-P energy: -105.487 bonds (distance) P-C4' energy: -121.768 flat angles C4'-P-C4' energy: -120.581 flat angles P-C4'-P energy: -75.008 tors. eta vs tors. theta energy: -127.588 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: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1505.306328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.306328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.306328 (E_RNA) where: Base-Base interactions energy: -990.213 where: short stacking energy: -504.959 Base-Backbone interact. energy: -3.393 local terms energy: -511.700257 where: bonds (distance) C4'-P energy: -99.274 bonds (distance) P-C4' energy: -103.941 flat angles C4'-P-C4' energy: -113.609 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -130.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1451.296283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.296283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.296283 (E_RNA) where: Base-Base interactions energy: -956.099 where: short stacking energy: -442.506 Base-Backbone interact. energy: 0.351 local terms energy: -495.547783 where: bonds (distance) C4'-P energy: -95.671 bonds (distance) P-C4' energy: -91.210 flat angles C4'-P-C4' energy: -122.746 flat angles P-C4'-P energy: -78.727 tors. eta vs tors. theta energy: -107.194 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: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1267.570881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.570881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.570881 (E_RNA) where: Base-Base interactions energy: -793.968 where: short stacking energy: -389.020 Base-Backbone interact. energy: 2.980 local terms energy: -476.583166 where: bonds (distance) C4'-P energy: -105.711 bonds (distance) P-C4' energy: -102.960 flat angles C4'-P-C4' energy: -111.742 flat angles P-C4'-P energy: -58.427 tors. eta vs tors. theta energy: -97.742 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: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1081.079566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.079566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.079566 (E_RNA) where: Base-Base interactions energy: -654.110 where: short stacking energy: -331.980 Base-Backbone interact. energy: -2.148 local terms energy: -424.821724 where: bonds (distance) C4'-P energy: -88.374 bonds (distance) P-C4' energy: -108.316 flat angles C4'-P-C4' energy: -91.860 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -66.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -955.598130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.598130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.598130 (E_RNA) where: Base-Base interactions energy: -545.520 where: short stacking energy: -275.947 Base-Backbone interact. energy: -2.141 local terms energy: -407.937307 where: bonds (distance) C4'-P energy: -94.221 bonds (distance) P-C4' energy: -92.506 flat angles C4'-P-C4' energy: -95.650 flat angles P-C4'-P energy: -65.571 tors. eta vs tors. theta energy: -59.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -738.829157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.829157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.829157 (E_RNA) where: Base-Base interactions energy: -385.478 where: short stacking energy: -223.424 Base-Backbone interact. energy: -0.694 local terms energy: -352.657249 where: bonds (distance) C4'-P energy: -95.224 bonds (distance) P-C4' energy: -92.665 flat angles C4'-P-C4' energy: -87.733 flat angles P-C4'-P energy: -56.351 tors. eta vs tors. theta energy: -20.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -621.555550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.555550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.555550 (E_RNA) where: Base-Base interactions energy: -308.462 where: short stacking energy: -202.227 Base-Backbone interact. energy: -3.253 local terms energy: -309.840540 where: bonds (distance) C4'-P energy: -81.521 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -95.033 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: -6.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -484.412984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.412984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.412984 (E_RNA) where: Base-Base interactions energy: -191.251 where: short stacking energy: -132.809 Base-Backbone interact. energy: 2.659 local terms energy: -295.820542 where: bonds (distance) C4'-P energy: -99.914 bonds (distance) P-C4' energy: -86.439 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -50.703 tors. eta vs tors. theta energy: 1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -445.119443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.119443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.119443 (E_RNA) where: Base-Base interactions energy: -168.130 where: short stacking energy: -122.809 Base-Backbone interact. energy: 1.457 local terms energy: -278.447058 where: bonds (distance) C4'-P energy: -98.732 bonds (distance) P-C4' energy: -77.022 flat angles C4'-P-C4' energy: -61.708 flat angles P-C4'-P energy: -57.747 tors. eta vs tors. theta energy: 16.761 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: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1569.643108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.643108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.643108 (E_RNA) where: Base-Base interactions energy: -1038.059 where: short stacking energy: -457.251 Base-Backbone interact. energy: 0.071 local terms energy: -531.655665 where: bonds (distance) C4'-P energy: -106.561 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -117.917 flat angles P-C4'-P energy: -75.234 tors. eta vs tors. theta energy: -113.329 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: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1523.121353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.121353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.121353 (E_RNA) where: Base-Base interactions energy: -1011.797 where: short stacking energy: -495.389 Base-Backbone interact. energy: -1.598 local terms energy: -509.727244 where: bonds (distance) C4'-P energy: -96.706 bonds (distance) P-C4' energy: -108.742 flat angles C4'-P-C4' energy: -107.144 flat angles P-C4'-P energy: -67.441 tors. eta vs tors. theta energy: -129.695 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: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1464.114335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.114335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.114335 (E_RNA) where: Base-Base interactions energy: -943.837 where: short stacking energy: -430.323 Base-Backbone interact. energy: -1.580 local terms energy: -518.697587 where: bonds (distance) C4'-P energy: -113.018 bonds (distance) P-C4' energy: -101.376 flat angles C4'-P-C4' energy: -114.776 flat angles P-C4'-P energy: -69.544 tors. eta vs tors. theta energy: -119.984 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: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1222.924016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.924016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.924016 (E_RNA) where: Base-Base interactions energy: -741.637 where: short stacking energy: -361.164 Base-Backbone interact. energy: -1.433 local terms energy: -479.854039 where: bonds (distance) C4'-P energy: -107.598 bonds (distance) P-C4' energy: -106.447 flat angles C4'-P-C4' energy: -105.556 flat angles P-C4'-P energy: -65.510 tors. eta vs tors. theta energy: -94.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1101.223877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.223877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.223877 (E_RNA) where: Base-Base interactions energy: -637.500 where: short stacking energy: -335.553 Base-Backbone interact. energy: -1.763 local terms energy: -461.960589 where: bonds (distance) C4'-P energy: -94.876 bonds (distance) P-C4' energy: -105.422 flat angles C4'-P-C4' energy: -111.001 flat angles P-C4'-P energy: -72.506 tors. eta vs tors. theta energy: -78.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -891.748695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.748695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.748695 (E_RNA) where: Base-Base interactions energy: -498.012 where: short stacking energy: -265.701 Base-Backbone interact. energy: 1.184 local terms energy: -394.921301 where: bonds (distance) C4'-P energy: -90.927 bonds (distance) P-C4' energy: -107.619 flat angles C4'-P-C4' energy: -90.450 flat angles P-C4'-P energy: -62.440 tors. eta vs tors. theta energy: -43.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -754.568346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.568346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.568346 (E_RNA) where: Base-Base interactions energy: -396.775 where: short stacking energy: -205.808 Base-Backbone interact. energy: -2.871 local terms energy: -354.922519 where: bonds (distance) C4'-P energy: -78.643 bonds (distance) P-C4' energy: -97.625 flat angles C4'-P-C4' energy: -107.319 flat angles P-C4'-P energy: -50.322 tors. eta vs tors. theta energy: -21.014 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: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -587.166552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.166552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.166552 (E_RNA) where: Base-Base interactions energy: -269.215 where: short stacking energy: -176.532 Base-Backbone interact. energy: 1.390 local terms energy: -319.341276 where: bonds (distance) C4'-P energy: -85.262 bonds (distance) P-C4' energy: -86.960 flat angles C4'-P-C4' energy: -87.348 flat angles P-C4'-P energy: -55.751 tors. eta vs tors. theta energy: -4.020 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: 31 Temperature: 1.300000 Total energy: -451.398699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.398699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.398699 (E_RNA) where: Base-Base interactions energy: -157.036 where: short stacking energy: -131.272 Base-Backbone interact. energy: -0.372 local terms energy: -293.990730 where: bonds (distance) C4'-P energy: -83.509 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -106.638 flat angles P-C4'-P energy: -39.423 tors. eta vs tors. theta energy: 9.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -436.617223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.617223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.617223 (E_RNA) where: Base-Base interactions energy: -169.834 where: short stacking energy: -125.003 Base-Backbone interact. energy: -0.249 local terms energy: -266.533339 where: bonds (distance) C4'-P energy: -68.333 bonds (distance) P-C4' energy: -96.167 flat angles C4'-P-C4' energy: -70.842 flat angles P-C4'-P energy: -50.021 tors. eta vs tors. theta energy: 18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1551.591174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.591174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.591174 (E_RNA) where: Base-Base interactions energy: -1023.074 where: short stacking energy: -441.218 Base-Backbone interact. energy: -2.201 local terms energy: -526.316498 where: bonds (distance) C4'-P energy: -116.685 bonds (distance) P-C4' energy: -103.054 flat angles C4'-P-C4' energy: -119.982 flat angles P-C4'-P energy: -65.563 tors. eta vs tors. theta energy: -121.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1474.168323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.168323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.168323 (E_RNA) where: Base-Base interactions energy: -955.316 where: short stacking energy: -453.634 Base-Backbone interact. energy: -4.001 local terms energy: -514.851740 where: bonds (distance) C4'-P energy: -89.849 bonds (distance) P-C4' energy: -118.414 flat angles C4'-P-C4' energy: -112.841 flat angles P-C4'-P energy: -78.729 tors. eta vs tors. theta energy: -115.018 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: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1432.106055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.106055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.106055 (E_RNA) where: Base-Base interactions energy: -920.332 where: short stacking energy: -432.288 Base-Backbone interact. energy: 0.461 local terms energy: -512.234923 where: bonds (distance) C4'-P energy: -103.346 bonds (distance) P-C4' energy: -114.114 flat angles C4'-P-C4' energy: -116.181 flat angles P-C4'-P energy: -79.957 tors. eta vs tors. theta energy: -98.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1258.279652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.279652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.279652 (E_RNA) where: Base-Base interactions energy: -805.165 where: short stacking energy: -400.692 Base-Backbone interact. energy: -1.765 local terms energy: -451.349626 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -105.529 flat angles C4'-P-C4' energy: -107.109 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: -85.638 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: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1147.653598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.653598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.653598 (E_RNA) where: Base-Base interactions energy: -701.635 where: short stacking energy: -362.889 Base-Backbone interact. energy: -1.571 local terms energy: -444.446981 where: bonds (distance) C4'-P energy: -96.200 bonds (distance) P-C4' energy: -98.911 flat angles C4'-P-C4' energy: -90.010 flat angles P-C4'-P energy: -71.150 tors. eta vs tors. theta energy: -88.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -939.579918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.579918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.579918 (E_RNA) where: Base-Base interactions energy: -514.915 where: short stacking energy: -266.920 Base-Backbone interact. energy: 2.991 local terms energy: -427.655494 where: bonds (distance) C4'-P energy: -108.962 bonds (distance) P-C4' energy: -109.537 flat angles C4'-P-C4' energy: -100.431 flat angles P-C4'-P energy: -63.447 tors. eta vs tors. theta energy: -45.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -751.170992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.170992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.170992 (E_RNA) where: Base-Base interactions energy: -378.863 where: short stacking energy: -198.729 Base-Backbone interact. energy: -2.532 local terms energy: -369.775406 where: bonds (distance) C4'-P energy: -96.616 bonds (distance) P-C4' energy: -104.449 flat angles C4'-P-C4' energy: -86.013 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: -17.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -600.091428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.091428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.091428 (E_RNA) where: Base-Base interactions energy: -268.479 where: short stacking energy: -174.761 Base-Backbone interact. energy: 0.508 local terms energy: -332.120820 where: bonds (distance) C4'-P energy: -85.547 bonds (distance) P-C4' energy: -108.876 flat angles C4'-P-C4' energy: -80.393 flat angles P-C4'-P energy: -63.362 tors. eta vs tors. theta energy: 6.056 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: 1 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -508.770968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.770968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.770968 (E_RNA) where: Base-Base interactions energy: -205.886 where: short stacking energy: -154.633 Base-Backbone interact. energy: 3.871 local terms energy: -306.755983 where: bonds (distance) C4'-P energy: -92.728 bonds (distance) P-C4' energy: -87.734 flat angles C4'-P-C4' energy: -80.910 flat angles P-C4'-P energy: -42.773 tors. eta vs tors. theta energy: -2.611 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: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -435.226190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.226190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.226190 (E_RNA) where: Base-Base interactions energy: -140.830 where: short stacking energy: -127.273 Base-Backbone interact. energy: -1.932 local terms energy: -292.464320 where: bonds (distance) C4'-P energy: -76.394 bonds (distance) P-C4' energy: -92.150 flat angles C4'-P-C4' energy: -80.043 flat angles P-C4'-P energy: -57.913 tors. eta vs tors. theta energy: 14.035 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: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1592.708331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.708331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.708331 (E_RNA) where: Base-Base interactions energy: -1048.949 where: short stacking energy: -482.219 Base-Backbone interact. energy: -1.202 local terms energy: -542.557637 where: bonds (distance) C4'-P energy: -106.220 bonds (distance) P-C4' energy: -110.960 flat angles C4'-P-C4' energy: -116.913 flat angles P-C4'-P energy: -80.547 tors. eta vs tors. theta energy: -127.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1483.854227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.854227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.854227 (E_RNA) where: Base-Base interactions energy: -963.019 where: short stacking energy: -502.380 Base-Backbone interact. energy: -2.811 local terms energy: -518.024063 where: bonds (distance) C4'-P energy: -112.743 bonds (distance) P-C4' energy: -94.223 flat angles C4'-P-C4' energy: -114.879 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: -125.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1433.610511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.610511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.610511 (E_RNA) where: Base-Base interactions energy: -888.205 where: short stacking energy: -424.255 Base-Backbone interact. energy: -3.266 local terms energy: -542.138992 where: bonds (distance) C4'-P energy: -117.177 bonds (distance) P-C4' energy: -100.983 flat angles C4'-P-C4' energy: -118.580 flat angles P-C4'-P energy: -88.409 tors. eta vs tors. theta energy: -116.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1229.150282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.150282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.150282 (E_RNA) where: Base-Base interactions energy: -756.726 where: short stacking energy: -377.279 Base-Backbone interact. energy: -1.878 local terms energy: -470.545884 where: bonds (distance) C4'-P energy: -104.106 bonds (distance) P-C4' energy: -104.123 flat angles C4'-P-C4' energy: -96.711 flat angles P-C4'-P energy: -74.591 tors. eta vs tors. theta energy: -91.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1143.069888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.069888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.069888 (E_RNA) where: Base-Base interactions energy: -739.888 where: short stacking energy: -328.830 Base-Backbone interact. energy: -1.388 local terms energy: -401.793476 where: bonds (distance) C4'-P energy: -94.515 bonds (distance) P-C4' energy: -80.480 flat angles C4'-P-C4' energy: -96.671 flat angles P-C4'-P energy: -65.069 tors. eta vs tors. theta energy: -65.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -961.946229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.946229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.946229 (E_RNA) where: Base-Base interactions energy: -542.955 where: short stacking energy: -263.168 Base-Backbone interact. energy: -1.920 local terms energy: -417.071353 where: bonds (distance) C4'-P energy: -97.393 bonds (distance) P-C4' energy: -108.012 flat angles C4'-P-C4' energy: -95.933 flat angles P-C4'-P energy: -63.374 tors. eta vs tors. theta energy: -52.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -795.009713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.009713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.009713 (E_RNA) where: Base-Base interactions energy: -413.133 where: short stacking energy: -238.499 Base-Backbone interact. energy: -0.796 local terms energy: -381.080161 where: bonds (distance) C4'-P energy: -100.363 bonds (distance) P-C4' energy: -97.344 flat angles C4'-P-C4' energy: -102.492 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -38.356 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: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -631.593556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.593556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.593556 (E_RNA) where: Base-Base interactions energy: -304.460 where: short stacking energy: -188.034 Base-Backbone interact. energy: 3.254 local terms energy: -330.387303 where: bonds (distance) C4'-P energy: -85.567 bonds (distance) P-C4' energy: -103.900 flat angles C4'-P-C4' energy: -83.756 flat angles P-C4'-P energy: -44.718 tors. eta vs tors. theta energy: -12.447 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: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -524.767068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.767068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.767068 (E_RNA) where: Base-Base interactions energy: -226.408 where: short stacking energy: -177.439 Base-Backbone interact. energy: -2.121 local terms energy: -296.237862 where: bonds (distance) C4'-P energy: -104.954 bonds (distance) P-C4' energy: -84.239 flat angles C4'-P-C4' energy: -61.380 flat angles P-C4'-P energy: -52.461 tors. eta vs tors. theta energy: 6.795 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: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -420.869354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.869354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.869354 (E_RNA) where: Base-Base interactions energy: -134.261 where: short stacking energy: -115.063 Base-Backbone interact. energy: 4.001 local terms energy: -290.609472 where: bonds (distance) C4'-P energy: -88.373 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -78.454 flat angles P-C4'-P energy: -45.520 tors. eta vs tors. theta energy: 16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1571.392324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.392324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.392324 (E_RNA) where: Base-Base interactions energy: -1034.029 where: short stacking energy: -459.550 Base-Backbone interact. energy: -2.238 local terms energy: -535.125690 where: bonds (distance) C4'-P energy: -111.918 bonds (distance) P-C4' energy: -97.943 flat angles C4'-P-C4' energy: -123.049 flat angles P-C4'-P energy: -76.681 tors. eta vs tors. theta energy: -125.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1484.776135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.776135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.776135 (E_RNA) where: Base-Base interactions energy: -962.172 where: short stacking energy: -484.152 Base-Backbone interact. energy: -3.993 local terms energy: -518.611441 where: bonds (distance) C4'-P energy: -108.670 bonds (distance) P-C4' energy: -104.078 flat angles C4'-P-C4' energy: -115.685 flat angles P-C4'-P energy: -69.945 tors. eta vs tors. theta energy: -120.234 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: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1413.074014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.074014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.074014 (E_RNA) where: Base-Base interactions energy: -890.198 where: short stacking energy: -423.724 Base-Backbone interact. energy: -4.450 local terms energy: -518.425639 where: bonds (distance) C4'-P energy: -104.001 bonds (distance) P-C4' energy: -103.708 flat angles C4'-P-C4' energy: -120.050 flat angles P-C4'-P energy: -82.880 tors. eta vs tors. theta energy: -107.786 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: 34 Temperature: 1.050000 Total energy: -1230.660991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.660991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.660991 (E_RNA) where: Base-Base interactions energy: -757.356 where: short stacking energy: -360.486 Base-Backbone interact. energy: -2.708 local terms energy: -470.597348 where: bonds (distance) C4'-P energy: -103.765 bonds (distance) P-C4' energy: -100.342 flat angles C4'-P-C4' energy: -112.385 flat angles P-C4'-P energy: -79.433 tors. eta vs tors. theta energy: -74.672 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: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1197.824737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.824737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.824737 (E_RNA) where: Base-Base interactions energy: -721.055 where: short stacking energy: -353.654 Base-Backbone interact. energy: -1.094 local terms energy: -475.675647 where: bonds (distance) C4'-P energy: -100.255 bonds (distance) P-C4' energy: -103.475 flat angles C4'-P-C4' energy: -119.432 flat angles P-C4'-P energy: -74.461 tors. eta vs tors. theta energy: -78.053 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: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -972.624640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.624640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.624640 (E_RNA) where: Base-Base interactions energy: -560.831 where: short stacking energy: -309.050 Base-Backbone interact. energy: -0.852 local terms energy: -410.941974 where: bonds (distance) C4'-P energy: -100.436 bonds (distance) P-C4' energy: -94.967 flat angles C4'-P-C4' energy: -89.547 flat angles P-C4'-P energy: -64.864 tors. eta vs tors. theta energy: -61.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -779.549261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.549261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.549261 (E_RNA) where: Base-Base interactions energy: -434.507 where: short stacking energy: -212.970 Base-Backbone interact. energy: 4.690 local terms energy: -349.732735 where: bonds (distance) C4'-P energy: -91.265 bonds (distance) P-C4' energy: -99.856 flat angles C4'-P-C4' energy: -99.578 flat angles P-C4'-P energy: -52.732 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -642.864471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.864471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.864471 (E_RNA) where: Base-Base interactions energy: -321.150 where: short stacking energy: -198.802 Base-Backbone interact. energy: 1.816 local terms energy: -323.530698 where: bonds (distance) C4'-P energy: -95.891 bonds (distance) P-C4' energy: -98.841 flat angles C4'-P-C4' energy: -60.216 flat angles P-C4'-P energy: -63.471 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -530.923532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.923532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.923532 (E_RNA) where: Base-Base interactions energy: -211.935 where: short stacking energy: -136.270 Base-Backbone interact. energy: -2.933 local terms energy: -316.055797 where: bonds (distance) C4'-P energy: -83.473 bonds (distance) P-C4' energy: -85.350 flat angles C4'-P-C4' energy: -96.918 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -417.759953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.759953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.759953 (E_RNA) where: Base-Base interactions energy: -164.531 where: short stacking energy: -130.455 Base-Backbone interact. energy: 1.337 local terms energy: -254.566152 where: bonds (distance) C4'-P energy: -78.993 bonds (distance) P-C4' energy: -103.607 flat angles C4'-P-C4' energy: -58.056 flat angles P-C4'-P energy: -50.767 tors. eta vs tors. theta energy: 36.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1589.515564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.515564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.515564 (E_RNA) where: Base-Base interactions energy: -1023.940 where: short stacking energy: -475.320 Base-Backbone interact. energy: -0.161 local terms energy: -565.415027 where: bonds (distance) C4'-P energy: -109.424 bonds (distance) P-C4' energy: -122.024 flat angles C4'-P-C4' energy: -122.566 flat angles P-C4'-P energy: -77.635 tors. eta vs tors. theta energy: -133.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1520.357581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.357581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.357581 (E_RNA) where: Base-Base interactions energy: -999.931 where: short stacking energy: -501.113 Base-Backbone interact. energy: -0.127 local terms energy: -520.299405 where: bonds (distance) C4'-P energy: -94.837 bonds (distance) P-C4' energy: -111.212 flat angles C4'-P-C4' energy: -108.624 flat angles P-C4'-P energy: -74.727 tors. eta vs tors. theta energy: -130.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1382.797525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.797525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.797525 (E_RNA) where: Base-Base interactions energy: -891.362 where: short stacking energy: -428.752 Base-Backbone interact. energy: -3.867 local terms energy: -487.568742 where: bonds (distance) C4'-P energy: -87.391 bonds (distance) P-C4' energy: -108.946 flat angles C4'-P-C4' energy: -97.447 flat angles P-C4'-P energy: -81.404 tors. eta vs tors. theta energy: -112.381 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: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1217.473091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.473091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.473091 (E_RNA) where: Base-Base interactions energy: -788.267 where: short stacking energy: -367.281 Base-Backbone interact. energy: 4.284 local terms energy: -433.489442 where: bonds (distance) C4'-P energy: -90.938 bonds (distance) P-C4' energy: -110.326 flat angles C4'-P-C4' energy: -101.343 flat angles P-C4'-P energy: -47.842 tors. eta vs tors. theta energy: -83.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1241.842082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.842082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.842082 (E_RNA) where: Base-Base interactions energy: -780.682 where: short stacking energy: -368.884 Base-Backbone interact. energy: -2.962 local terms energy: -458.198664 where: bonds (distance) C4'-P energy: -101.257 bonds (distance) P-C4' energy: -109.179 flat angles C4'-P-C4' energy: -89.490 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -93.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -985.876130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.876130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.876130 (E_RNA) where: Base-Base interactions energy: -543.261 where: short stacking energy: -290.721 Base-Backbone interact. energy: -1.655 local terms energy: -440.959992 where: bonds (distance) C4'-P energy: -107.364 bonds (distance) P-C4' energy: -119.484 flat angles C4'-P-C4' energy: -104.121 flat angles P-C4'-P energy: -54.183 tors. eta vs tors. theta energy: -55.808 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: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -801.863679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.863679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.863679 (E_RNA) where: Base-Base interactions energy: -437.449 where: short stacking energy: -248.932 Base-Backbone interact. energy: -3.279 local terms energy: -361.135752 where: bonds (distance) C4'-P energy: -92.359 bonds (distance) P-C4' energy: -99.226 flat angles C4'-P-C4' energy: -98.755 flat angles P-C4'-P energy: -42.258 tors. eta vs tors. theta energy: -28.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -662.413614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.413614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.413614 (E_RNA) where: Base-Base interactions energy: -318.509 where: short stacking energy: -183.781 Base-Backbone interact. energy: 1.484 local terms energy: -345.388185 where: bonds (distance) C4'-P energy: -88.109 bonds (distance) P-C4' energy: -102.611 flat angles C4'-P-C4' energy: -106.295 flat angles P-C4'-P energy: -43.633 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -524.385810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.385810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.385810 (E_RNA) where: Base-Base interactions energy: -228.295 where: short stacking energy: -156.538 Base-Backbone interact. energy: -2.481 local terms energy: -293.610094 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -92.663 flat angles C4'-P-C4' energy: -73.574 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: 10.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -430.386587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.386587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.386587 (E_RNA) where: Base-Base interactions energy: -174.481 where: short stacking energy: -136.237 Base-Backbone interact. energy: 0.327 local terms energy: -256.232044 where: bonds (distance) C4'-P energy: -95.148 bonds (distance) P-C4' energy: -84.288 flat angles C4'-P-C4' energy: -64.758 flat angles P-C4'-P energy: -30.625 tors. eta vs tors. theta energy: 18.587 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: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1574.055564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.055564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.055564 (E_RNA) where: Base-Base interactions energy: -1034.661 where: short stacking energy: -456.299 Base-Backbone interact. energy: -0.595 local terms energy: -538.799794 where: bonds (distance) C4'-P energy: -105.844 bonds (distance) P-C4' energy: -109.674 flat angles C4'-P-C4' energy: -118.854 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -123.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1532.956981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.956981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.956981 (E_RNA) where: Base-Base interactions energy: -987.704 where: short stacking energy: -474.239 Base-Backbone interact. energy: -1.721 local terms energy: -543.532027 where: bonds (distance) C4'-P energy: -102.053 bonds (distance) P-C4' energy: -112.752 flat angles C4'-P-C4' energy: -120.685 flat angles P-C4'-P energy: -79.725 tors. eta vs tors. theta energy: -128.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1354.989785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.989785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.989785 (E_RNA) where: Base-Base interactions energy: -861.230 where: short stacking energy: -415.983 Base-Backbone interact. energy: -3.282 local terms energy: -490.477808 where: bonds (distance) C4'-P energy: -92.039 bonds (distance) P-C4' energy: -109.337 flat angles C4'-P-C4' energy: -122.356 flat angles P-C4'-P energy: -56.685 tors. eta vs tors. theta energy: -110.060 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: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1181.589072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.589072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.589072 (E_RNA) where: Base-Base interactions energy: -729.679 where: short stacking energy: -342.180 Base-Backbone interact. energy: -2.883 local terms energy: -449.027656 where: bonds (distance) C4'-P energy: -102.654 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -104.260 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -68.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1013.127346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.127346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.127346 (E_RNA) where: Base-Base interactions energy: -604.868 where: short stacking energy: -308.487 Base-Backbone interact. energy: -0.992 local terms energy: -407.267709 where: bonds (distance) C4'-P energy: -87.378 bonds (distance) P-C4' energy: -119.615 flat angles C4'-P-C4' energy: -95.263 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: -61.350 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: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1147.965303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.965303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.965303 (E_RNA) where: Base-Base interactions energy: -740.444 where: short stacking energy: -368.048 Base-Backbone interact. energy: -0.088 local terms energy: -407.433432 where: bonds (distance) C4'-P energy: -86.141 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -106.898 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -78.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -786.850805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.850805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.850805 (E_RNA) where: Base-Base interactions energy: -388.633 where: short stacking energy: -215.816 Base-Backbone interact. energy: -1.531 local terms energy: -396.686951 where: bonds (distance) C4'-P energy: -108.445 bonds (distance) P-C4' energy: -111.601 flat angles C4'-P-C4' energy: -84.819 flat angles P-C4'-P energy: -61.493 tors. eta vs tors. theta energy: -30.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -620.412801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.412801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.412801 (E_RNA) where: Base-Base interactions energy: -321.548 where: short stacking energy: -171.998 Base-Backbone interact. energy: -1.906 local terms energy: -296.959369 where: bonds (distance) C4'-P energy: -94.322 bonds (distance) P-C4' energy: -100.321 flat angles C4'-P-C4' energy: -70.177 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: 13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -518.579601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.579601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.579601 (E_RNA) where: Base-Base interactions energy: -232.725 where: short stacking energy: -187.261 Base-Backbone interact. energy: 7.210 local terms energy: -293.064909 where: bonds (distance) C4'-P energy: -77.019 bonds (distance) P-C4' energy: -98.160 flat angles C4'-P-C4' energy: -71.560 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -431.688659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.688659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.688659 (E_RNA) where: Base-Base interactions energy: -178.974 where: short stacking energy: -127.816 Base-Backbone interact. energy: 4.723 local terms energy: -257.437756 where: bonds (distance) C4'-P energy: -78.530 bonds (distance) P-C4' energy: -96.920 flat angles C4'-P-C4' energy: -58.624 flat angles P-C4'-P energy: -38.287 tors. eta vs tors. theta energy: 14.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1615.464547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.464547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.464547 (E_RNA) where: Base-Base interactions energy: -1087.624 where: short stacking energy: -486.118 Base-Backbone interact. energy: -2.345 local terms energy: -525.496332 where: bonds (distance) C4'-P energy: -105.918 bonds (distance) P-C4' energy: -103.376 flat angles C4'-P-C4' energy: -114.197 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -130.031 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: 37 Temperature: 0.950000 Total energy: -1505.445467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.445467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.445467 (E_RNA) where: Base-Base interactions energy: -977.482 where: short stacking energy: -477.834 Base-Backbone interact. energy: 5.058 local terms energy: -533.021624 where: bonds (distance) C4'-P energy: -97.286 bonds (distance) P-C4' energy: -95.951 flat angles C4'-P-C4' energy: -121.116 flat angles P-C4'-P energy: -80.746 tors. eta vs tors. theta energy: -137.922 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: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1378.194153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.194153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.194153 (E_RNA) where: Base-Base interactions energy: -908.143 where: short stacking energy: -402.993 Base-Backbone interact. energy: -0.421 local terms energy: -469.630369 where: bonds (distance) C4'-P energy: -96.317 bonds (distance) P-C4' energy: -97.369 flat angles C4'-P-C4' energy: -103.419 flat angles P-C4'-P energy: -73.267 tors. eta vs tors. theta energy: -99.258 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: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1263.033281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.033281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.033281 (E_RNA) where: Base-Base interactions energy: -783.195 where: short stacking energy: -405.858 Base-Backbone interact. energy: -3.677 local terms energy: -476.161257 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -103.870 flat angles C4'-P-C4' energy: -117.046 flat angles P-C4'-P energy: -73.804 tors. eta vs tors. theta energy: -89.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -967.356999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.356999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.356999 (E_RNA) where: Base-Base interactions energy: -562.468 where: short stacking energy: -306.671 Base-Backbone interact. energy: -2.559 local terms energy: -402.329719 where: bonds (distance) C4'-P energy: -88.978 bonds (distance) P-C4' energy: -101.227 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -63.471 tors. eta vs tors. theta energy: -53.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1115.040558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.040558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.040558 (E_RNA) where: Base-Base interactions energy: -699.257 where: short stacking energy: -322.193 Base-Backbone interact. energy: 1.271 local terms energy: -417.055292 where: bonds (distance) C4'-P energy: -102.900 bonds (distance) P-C4' energy: -87.219 flat angles C4'-P-C4' energy: -96.977 flat angles P-C4'-P energy: -53.277 tors. eta vs tors. theta energy: -76.682 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: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -807.791760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.791760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.791760 (E_RNA) where: Base-Base interactions energy: -457.949 where: short stacking energy: -235.019 Base-Backbone interact. energy: -0.017 local terms energy: -349.825612 where: bonds (distance) C4'-P energy: -84.333 bonds (distance) P-C4' energy: -84.925 flat angles C4'-P-C4' energy: -94.876 flat angles P-C4'-P energy: -57.536 tors. eta vs tors. theta energy: -28.156 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: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -653.955432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.955432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.955432 (E_RNA) where: Base-Base interactions energy: -348.039 where: short stacking energy: -208.577 Base-Backbone interact. energy: -1.813 local terms energy: -304.103597 where: bonds (distance) C4'-P energy: -68.710 bonds (distance) P-C4' energy: -113.984 flat angles C4'-P-C4' energy: -60.250 flat angles P-C4'-P energy: -54.292 tors. eta vs tors. theta energy: -6.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -549.515515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.515515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.515515 (E_RNA) where: Base-Base interactions energy: -242.923 where: short stacking energy: -162.210 Base-Backbone interact. energy: 3.211 local terms energy: -309.802750 where: bonds (distance) C4'-P energy: -91.089 bonds (distance) P-C4' energy: -86.500 flat angles C4'-P-C4' energy: -86.892 flat angles P-C4'-P energy: -55.406 tors. eta vs tors. theta energy: 10.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -414.010889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.010889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.010889 (E_RNA) where: Base-Base interactions energy: -138.589 where: short stacking energy: -97.907 Base-Backbone interact. energy: -2.314 local terms energy: -273.108043 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -87.325 flat angles C4'-P-C4' energy: -69.311 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: 12.717 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: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1586.775591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.775591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.775591 (E_RNA) where: Base-Base interactions energy: -1039.865 where: short stacking energy: -471.266 Base-Backbone interact. energy: -2.098 local terms energy: -544.812840 where: bonds (distance) C4'-P energy: -119.788 bonds (distance) P-C4' energy: -115.475 flat angles C4'-P-C4' energy: -108.477 flat angles P-C4'-P energy: -72.475 tors. eta vs tors. theta energy: -128.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1476.810986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.810986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.810986 (E_RNA) where: Base-Base interactions energy: -949.242 where: short stacking energy: -471.245 Base-Backbone interact. energy: 1.746 local terms energy: -529.314870 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -116.132 flat angles C4'-P-C4' energy: -114.178 flat angles P-C4'-P energy: -80.194 tors. eta vs tors. theta energy: -113.186 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: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1371.503247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.503247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.503247 (E_RNA) where: Base-Base interactions energy: -902.577 where: short stacking energy: -400.972 Base-Backbone interact. energy: -3.620 local terms energy: -465.305539 where: bonds (distance) C4'-P energy: -88.266 bonds (distance) P-C4' energy: -111.182 flat angles C4'-P-C4' energy: -106.539 flat angles P-C4'-P energy: -59.318 tors. eta vs tors. theta energy: -100.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1301.587669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.587669 (E_RNA) where: Base-Base interactions energy: -855.567 where: short stacking energy: -397.723 Base-Backbone interact. energy: 1.992 local terms energy: -448.012598 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -89.345 flat angles C4'-P-C4' energy: -110.241 flat angles P-C4'-P energy: -58.127 tors. eta vs tors. theta energy: -83.468 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: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1212.096223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.096223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.096223 (E_RNA) where: Base-Base interactions energy: -766.306 where: short stacking energy: -372.418 Base-Backbone interact. energy: 0.213 local terms energy: -446.003069 where: bonds (distance) C4'-P energy: -103.742 bonds (distance) P-C4' energy: -87.865 flat angles C4'-P-C4' energy: -105.006 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -83.120 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: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -951.988405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.988405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.988405 (E_RNA) where: Base-Base interactions energy: -547.750 where: short stacking energy: -279.981 Base-Backbone interact. energy: 4.204 local terms energy: -408.442635 where: bonds (distance) C4'-P energy: -90.869 bonds (distance) P-C4' energy: -102.368 flat angles C4'-P-C4' energy: -108.602 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: -43.680 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: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -860.509388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.509388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.509388 (E_RNA) where: Base-Base interactions energy: -475.403 where: short stacking energy: -260.737 Base-Backbone interact. energy: 0.326 local terms energy: -385.432737 where: bonds (distance) C4'-P energy: -86.809 bonds (distance) P-C4' energy: -100.171 flat angles C4'-P-C4' energy: -99.441 flat angles P-C4'-P energy: -49.965 tors. eta vs tors. theta energy: -49.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -729.046429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.046429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.046429 (E_RNA) where: Base-Base interactions energy: -370.064 where: short stacking energy: -213.185 Base-Backbone interact. energy: 3.342 local terms energy: -362.324389 where: bonds (distance) C4'-P energy: -90.144 bonds (distance) P-C4' energy: -110.132 flat angles C4'-P-C4' energy: -74.766 flat angles P-C4'-P energy: -74.043 tors. eta vs tors. theta energy: -13.239 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: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -533.529596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.529596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.529596 (E_RNA) where: Base-Base interactions energy: -244.385 where: short stacking energy: -169.305 Base-Backbone interact. energy: -2.292 local terms energy: -286.852790 where: bonds (distance) C4'-P energy: -88.592 bonds (distance) P-C4' energy: -84.544 flat angles C4'-P-C4' energy: -81.785 flat angles P-C4'-P energy: -35.133 tors. eta vs tors. theta energy: 3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -409.756187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.756187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.756187 (E_RNA) where: Base-Base interactions energy: -147.724 where: short stacking energy: -119.599 Base-Backbone interact. energy: -2.653 local terms energy: -259.378675 where: bonds (distance) C4'-P energy: -61.197 bonds (distance) P-C4' energy: -96.210 flat angles C4'-P-C4' energy: -71.685 flat angles P-C4'-P energy: -39.863 tors. eta vs tors. theta energy: 9.577 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: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1571.588545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.588545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.588545 (E_RNA) where: Base-Base interactions energy: -1035.391 where: short stacking energy: -471.550 Base-Backbone interact. energy: -2.635 local terms energy: -533.562501 where: bonds (distance) C4'-P energy: -95.370 bonds (distance) P-C4' energy: -116.886 flat angles C4'-P-C4' energy: -117.072 flat angles P-C4'-P energy: -73.992 tors. eta vs tors. theta energy: -130.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1504.899923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.899923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.899923 (E_RNA) where: Base-Base interactions energy: -951.408 where: short stacking energy: -483.108 Base-Backbone interact. energy: -4.394 local terms energy: -549.097802 where: bonds (distance) C4'-P energy: -102.682 bonds (distance) P-C4' energy: -110.117 flat angles C4'-P-C4' energy: -124.282 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -130.326 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: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1385.816620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.816620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.816620 (E_RNA) where: Base-Base interactions energy: -883.784 where: short stacking energy: -434.723 Base-Backbone interact. energy: -4.803 local terms energy: -497.229784 where: bonds (distance) C4'-P energy: -109.757 bonds (distance) P-C4' energy: -103.015 flat angles C4'-P-C4' energy: -110.570 flat angles P-C4'-P energy: -69.773 tors. eta vs tors. theta energy: -104.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1246.723388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.723388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.723388 (E_RNA) where: Base-Base interactions energy: -798.791 where: short stacking energy: -369.571 Base-Backbone interact. energy: 1.413 local terms energy: -449.345209 where: bonds (distance) C4'-P energy: -94.117 bonds (distance) P-C4' energy: -109.880 flat angles C4'-P-C4' energy: -95.718 flat angles P-C4'-P energy: -67.600 tors. eta vs tors. theta energy: -82.030 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: 39 Temperature: 1.100000 Total energy: -1179.105121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.105121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.105121 (E_RNA) where: Base-Base interactions energy: -720.049 where: short stacking energy: -363.267 Base-Backbone interact. energy: -0.278 local terms energy: -458.777306 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -103.627 flat angles C4'-P-C4' energy: -105.011 flat angles P-C4'-P energy: -66.283 tors. eta vs tors. theta energy: -88.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -949.838636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.838636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.838636 (E_RNA) where: Base-Base interactions energy: -544.212 where: short stacking energy: -281.305 Base-Backbone interact. energy: 2.632 local terms energy: -408.259031 where: bonds (distance) C4'-P energy: -99.633 bonds (distance) P-C4' energy: -112.311 flat angles C4'-P-C4' energy: -98.498 flat angles P-C4'-P energy: -56.579 tors. eta vs tors. theta energy: -41.237 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: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -875.537978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.537978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.537978 (E_RNA) where: Base-Base interactions energy: -509.764 where: short stacking energy: -253.674 Base-Backbone interact. energy: -0.865 local terms energy: -364.908785 where: bonds (distance) C4'-P energy: -88.597 bonds (distance) P-C4' energy: -94.980 flat angles C4'-P-C4' energy: -95.154 flat angles P-C4'-P energy: -60.799 tors. eta vs tors. theta energy: -25.380 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: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -564.569163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.569163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.569163 (E_RNA) where: Base-Base interactions energy: -221.748 where: short stacking energy: -162.516 Base-Backbone interact. energy: 2.672 local terms energy: -345.493007 where: bonds (distance) C4'-P energy: -83.393 bonds (distance) P-C4' energy: -107.005 flat angles C4'-P-C4' energy: -82.256 flat angles P-C4'-P energy: -42.391 tors. eta vs tors. theta energy: -30.447 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: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -621.950960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.950960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.950960 (E_RNA) where: Base-Base interactions energy: -316.458 where: short stacking energy: -166.934 Base-Backbone interact. energy: 0.902 local terms energy: -306.394748 where: bonds (distance) C4'-P energy: -85.295 bonds (distance) P-C4' energy: -100.275 flat angles C4'-P-C4' energy: -77.881 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: 0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -436.125684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.125684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.125684 (E_RNA) where: Base-Base interactions energy: -157.654 where: short stacking energy: -124.990 Base-Backbone interact. energy: 1.035 local terms energy: -279.506313 where: bonds (distance) C4'-P energy: -79.979 bonds (distance) P-C4' energy: -95.962 flat angles C4'-P-C4' energy: -70.132 flat angles P-C4'-P energy: -49.714 tors. eta vs tors. theta energy: 16.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1558.291671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.291671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.291671 (E_RNA) where: Base-Base interactions energy: -1023.582 where: short stacking energy: -475.132 Base-Backbone interact. energy: -0.293 local terms energy: -534.416745 where: bonds (distance) C4'-P energy: -101.704 bonds (distance) P-C4' energy: -100.486 flat angles C4'-P-C4' energy: -131.081 flat angles P-C4'-P energy: -70.467 tors. eta vs tors. theta energy: -130.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1555.426648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.426648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.426648 (E_RNA) where: Base-Base interactions energy: -1002.004 where: short stacking energy: -495.447 Base-Backbone interact. energy: -0.892 local terms energy: -552.530468 where: bonds (distance) C4'-P energy: -94.715 bonds (distance) P-C4' energy: -118.290 flat angles C4'-P-C4' energy: -117.361 flat angles P-C4'-P energy: -76.590 tors. eta vs tors. theta energy: -145.576 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: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1290.659679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.659679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.659679 (E_RNA) where: Base-Base interactions energy: -837.701 where: short stacking energy: -377.493 Base-Backbone interact. energy: 2.811 local terms energy: -455.769257 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -114.140 flat angles C4'-P-C4' energy: -103.728 flat angles P-C4'-P energy: -62.137 tors. eta vs tors. theta energy: -86.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1308.463106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.463106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.463106 (E_RNA) where: Base-Base interactions energy: -818.713 where: short stacking energy: -412.594 Base-Backbone interact. energy: -3.605 local terms energy: -486.145026 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -114.487 flat angles C4'-P-C4' energy: -103.422 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -109.902 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: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1207.986061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.986061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.986061 (E_RNA) where: Base-Base interactions energy: -738.887 where: short stacking energy: -356.591 Base-Backbone interact. energy: -2.387 local terms energy: -466.711188 where: bonds (distance) C4'-P energy: -95.366 bonds (distance) P-C4' energy: -103.813 flat angles C4'-P-C4' energy: -104.989 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: -90.845 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: 40 Temperature: 1.150000 Total energy: -984.246421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.246421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.246421 (E_RNA) where: Base-Base interactions energy: -548.118 where: short stacking energy: -277.315 Base-Backbone interact. energy: 3.946 local terms energy: -440.073904 where: bonds (distance) C4'-P energy: -87.807 bonds (distance) P-C4' energy: -108.899 flat angles C4'-P-C4' energy: -112.283 flat angles P-C4'-P energy: -64.677 tors. eta vs tors. theta energy: -66.408 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: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -903.258101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.258101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.258101 (E_RNA) where: Base-Base interactions energy: -537.817 where: short stacking energy: -282.959 Base-Backbone interact. energy: 1.961 local terms energy: -367.401493 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -102.972 flat angles C4'-P-C4' energy: -93.955 flat angles P-C4'-P energy: -61.439 tors. eta vs tors. theta energy: -36.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -508.317001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.317001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.317001 (E_RNA) where: Base-Base interactions energy: -157.089 where: short stacking energy: -141.218 Base-Backbone interact. energy: -0.159 local terms energy: -351.068967 where: bonds (distance) C4'-P energy: -106.766 bonds (distance) P-C4' energy: -93.889 flat angles C4'-P-C4' energy: -91.694 flat angles P-C4'-P energy: -47.402 tors. eta vs tors. theta energy: -11.318 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: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -599.322019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.322019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.322019 (E_RNA) where: Base-Base interactions energy: -281.835 where: short stacking energy: -153.542 Base-Backbone interact. energy: -3.934 local terms energy: -313.552780 where: bonds (distance) C4'-P energy: -89.979 bonds (distance) P-C4' energy: -89.525 flat angles C4'-P-C4' energy: -92.457 flat angles P-C4'-P energy: -41.431 tors. eta vs tors. theta energy: -0.160 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: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -425.706385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.706385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.706385 (E_RNA) where: Base-Base interactions energy: -146.474 where: short stacking energy: -114.517 Base-Backbone interact. energy: 0.520 local terms energy: -279.752107 where: bonds (distance) C4'-P energy: -72.663 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -89.860 flat angles P-C4'-P energy: -32.950 tors. eta vs tors. theta energy: 12.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1592.060128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.060128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.060128 (E_RNA) where: Base-Base interactions energy: -1040.336 where: short stacking energy: -478.884 Base-Backbone interact. energy: -4.139 local terms energy: -547.585163 where: bonds (distance) C4'-P energy: -103.470 bonds (distance) P-C4' energy: -112.238 flat angles C4'-P-C4' energy: -118.507 flat angles P-C4'-P energy: -85.279 tors. eta vs tors. theta energy: -128.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1559.431729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.431729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.431729 (E_RNA) where: Base-Base interactions energy: -1010.481 where: short stacking energy: -499.864 Base-Backbone interact. energy: -4.186 local terms energy: -544.765511 where: bonds (distance) C4'-P energy: -102.845 bonds (distance) P-C4' energy: -107.735 flat angles C4'-P-C4' energy: -119.247 flat angles P-C4'-P energy: -63.693 tors. eta vs tors. theta energy: -151.246 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: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1309.515044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.515044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.515044 (E_RNA) where: Base-Base interactions energy: -815.103 where: short stacking energy: -420.176 Base-Backbone interact. energy: -0.508 local terms energy: -493.904470 where: bonds (distance) C4'-P energy: -104.275 bonds (distance) P-C4' energy: -106.832 flat angles C4'-P-C4' energy: -115.218 flat angles P-C4'-P energy: -69.676 tors. eta vs tors. theta energy: -97.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1270.768034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.768034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.768034 (E_RNA) where: Base-Base interactions energy: -801.796 where: short stacking energy: -371.716 Base-Backbone interact. energy: -2.867 local terms energy: -466.105637 where: bonds (distance) C4'-P energy: -96.309 bonds (distance) P-C4' energy: -107.076 flat angles C4'-P-C4' energy: -100.684 flat angles P-C4'-P energy: -66.519 tors. eta vs tors. theta energy: -95.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1267.296699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.296699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.296699 (E_RNA) where: Base-Base interactions energy: -795.655 where: short stacking energy: -362.601 Base-Backbone interact. energy: -1.364 local terms energy: -470.276911 where: bonds (distance) C4'-P energy: -93.148 bonds (distance) P-C4' energy: -99.336 flat angles C4'-P-C4' energy: -104.503 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -89.484 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: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -988.654399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.654399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.654399 (E_RNA) where: Base-Base interactions energy: -600.544 where: short stacking energy: -302.602 Base-Backbone interact. energy: 3.845 local terms energy: -391.955526 where: bonds (distance) C4'-P energy: -100.258 bonds (distance) P-C4' energy: -85.124 flat angles C4'-P-C4' energy: -102.269 flat angles P-C4'-P energy: -42.007 tors. eta vs tors. theta energy: -62.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -872.965948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.965948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.965948 (E_RNA) where: Base-Base interactions energy: -493.359 where: short stacking energy: -249.066 Base-Backbone interact. energy: -0.633 local terms energy: -378.974129 where: bonds (distance) C4'-P energy: -89.294 bonds (distance) P-C4' energy: -102.606 flat angles C4'-P-C4' energy: -85.526 flat angles P-C4'-P energy: -66.723 tors. eta vs tors. theta energy: -34.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -684.705303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.705303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.705303 (E_RNA) where: Base-Base interactions energy: -371.512 where: short stacking energy: -214.904 Base-Backbone interact. energy: -1.381 local terms energy: -311.812228 where: bonds (distance) C4'-P energy: -88.523 bonds (distance) P-C4' energy: -90.798 flat angles C4'-P-C4' energy: -73.392 flat angles P-C4'-P energy: -52.125 tors. eta vs tors. theta energy: -6.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -461.574281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.574281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.574281 (E_RNA) where: Base-Base interactions energy: -156.165 where: short stacking energy: -123.724 Base-Backbone interact. energy: -0.256 local terms energy: -305.152782 where: bonds (distance) C4'-P energy: -92.527 bonds (distance) P-C4' energy: -96.951 flat angles C4'-P-C4' energy: -63.825 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: -6.100 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -454.297144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.297144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.297144 (E_RNA) where: Base-Base interactions energy: -174.454 where: short stacking energy: -155.611 Base-Backbone interact. energy: 0.765 local terms energy: -280.608543 where: bonds (distance) C4'-P energy: -67.548 bonds (distance) P-C4' energy: -100.730 flat angles C4'-P-C4' energy: -72.857 flat angles P-C4'-P energy: -46.724 tors. eta vs tors. theta energy: 7.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1578.900819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.900819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.900819 (E_RNA) where: Base-Base interactions energy: -1038.334 where: short stacking energy: -471.186 Base-Backbone interact. energy: -0.541 local terms energy: -540.026197 where: bonds (distance) C4'-P energy: -109.491 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -119.226 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: -124.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1560.039789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.039789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.039789 (E_RNA) where: Base-Base interactions energy: -1022.310 where: short stacking energy: -497.160 Base-Backbone interact. energy: -3.309 local terms energy: -534.420982 where: bonds (distance) C4'-P energy: -112.307 bonds (distance) P-C4' energy: -100.188 flat angles C4'-P-C4' energy: -118.731 flat angles P-C4'-P energy: -72.356 tors. eta vs tors. theta energy: -130.840 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: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1426.034871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.034871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.034871 (E_RNA) where: Base-Base interactions energy: -912.526 where: short stacking energy: -443.289 Base-Backbone interact. energy: -2.908 local terms energy: -510.600917 where: bonds (distance) C4'-P energy: -108.357 bonds (distance) P-C4' energy: -108.088 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -74.253 tors. eta vs tors. theta energy: -111.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1269.275592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.275592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.275592 (E_RNA) where: Base-Base interactions energy: -811.867 where: short stacking energy: -389.149 Base-Backbone interact. energy: -0.838 local terms energy: -456.570728 where: bonds (distance) C4'-P energy: -101.414 bonds (distance) P-C4' energy: -110.802 flat angles C4'-P-C4' energy: -93.163 flat angles P-C4'-P energy: -68.435 tors. eta vs tors. theta energy: -82.756 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: 5, replica: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1275.329812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.329812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.329812 (E_RNA) where: Base-Base interactions energy: -837.813 where: short stacking energy: -384.714 Base-Backbone interact. energy: -2.245 local terms energy: -435.271915 where: bonds (distance) C4'-P energy: -92.342 bonds (distance) P-C4' energy: -100.780 flat angles C4'-P-C4' energy: -103.334 flat angles P-C4'-P energy: -53.168 tors. eta vs tors. theta energy: -85.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -981.884864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.884864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.884864 (E_RNA) where: Base-Base interactions energy: -557.512 where: short stacking energy: -282.828 Base-Backbone interact. energy: -3.168 local terms energy: -421.204026 where: bonds (distance) C4'-P energy: -94.487 bonds (distance) P-C4' energy: -101.210 flat angles C4'-P-C4' energy: -101.195 flat angles P-C4'-P energy: -69.942 tors. eta vs tors. theta energy: -54.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -941.149412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.149412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.149412 (E_RNA) where: Base-Base interactions energy: -543.317 where: short stacking energy: -266.146 Base-Backbone interact. energy: -1.798 local terms energy: -396.034181 where: bonds (distance) C4'-P energy: -95.710 bonds (distance) P-C4' energy: -82.930 flat angles C4'-P-C4' energy: -98.318 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -56.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -662.601744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.601744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.601744 (E_RNA) where: Base-Base interactions energy: -338.283 where: short stacking energy: -230.807 Base-Backbone interact. energy: 2.943 local terms energy: -327.261399 where: bonds (distance) C4'-P energy: -73.949 bonds (distance) P-C4' energy: -98.699 flat angles C4'-P-C4' energy: -68.227 flat angles P-C4'-P energy: -57.395 tors. eta vs tors. theta energy: -28.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -505.565846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.565846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.565846 (E_RNA) where: Base-Base interactions energy: -221.030 where: short stacking energy: -160.883 Base-Backbone interact. energy: -1.553 local terms energy: -282.983056 where: bonds (distance) C4'-P energy: -80.228 bonds (distance) P-C4' energy: -89.416 flat angles C4'-P-C4' energy: -71.375 flat angles P-C4'-P energy: -49.809 tors. eta vs tors. theta energy: 7.847 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: 42 Temperature: 1.350000 Total energy: -457.376937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.376937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.376937 (E_RNA) where: Base-Base interactions energy: -178.185 where: short stacking energy: -146.925 Base-Backbone interact. energy: 2.774 local terms energy: -281.966040 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -92.263 flat angles C4'-P-C4' energy: -81.713 flat angles P-C4'-P energy: -36.622 tors. eta vs tors. theta energy: 17.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1611.429234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.429234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.429234 (E_RNA) where: Base-Base interactions energy: -1062.451 where: short stacking energy: -480.879 Base-Backbone interact. energy: -1.666 local terms energy: -547.313017 where: bonds (distance) C4'-P energy: -97.372 bonds (distance) P-C4' energy: -113.059 flat angles C4'-P-C4' energy: -124.205 flat angles P-C4'-P energy: -78.692 tors. eta vs tors. theta energy: -133.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1579.225287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.225287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.225287 (E_RNA) where: Base-Base interactions energy: -1018.531 where: short stacking energy: -514.471 Base-Backbone interact. energy: -1.196 local terms energy: -559.497763 where: bonds (distance) C4'-P energy: -99.333 bonds (distance) P-C4' energy: -112.017 flat angles C4'-P-C4' energy: -124.078 flat angles P-C4'-P energy: -78.118 tors. eta vs tors. theta energy: -145.951 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: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1432.467655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.467655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.467655 (E_RNA) where: Base-Base interactions energy: -899.546 where: short stacking energy: -416.895 Base-Backbone interact. energy: 0.792 local terms energy: -533.713854 where: bonds (distance) C4'-P energy: -111.562 bonds (distance) P-C4' energy: -110.572 flat angles C4'-P-C4' energy: -110.660 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -114.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1310.151037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.151037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.151037 (E_RNA) where: Base-Base interactions energy: -835.621 where: short stacking energy: -398.295 Base-Backbone interact. energy: 2.043 local terms energy: -476.573289 where: bonds (distance) C4'-P energy: -91.725 bonds (distance) P-C4' energy: -117.360 flat angles C4'-P-C4' energy: -109.440 flat angles P-C4'-P energy: -66.114 tors. eta vs tors. theta energy: -91.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1285.040331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.040331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.040331 (E_RNA) where: Base-Base interactions energy: -831.127 where: short stacking energy: -398.343 Base-Backbone interact. energy: -1.514 local terms energy: -452.398873 where: bonds (distance) C4'-P energy: -106.880 bonds (distance) P-C4' energy: -84.478 flat angles C4'-P-C4' energy: -107.035 flat angles P-C4'-P energy: -66.765 tors. eta vs tors. theta energy: -87.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1027.973090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.973090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.973090 (E_RNA) where: Base-Base interactions energy: -587.862 where: short stacking energy: -296.797 Base-Backbone interact. energy: -0.898 local terms energy: -439.212343 where: bonds (distance) C4'-P energy: -94.647 bonds (distance) P-C4' energy: -102.949 flat angles C4'-P-C4' energy: -106.640 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: -60.857 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: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -874.493897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.493897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.493897 (E_RNA) where: Base-Base interactions energy: -504.446 where: short stacking energy: -258.832 Base-Backbone interact. energy: -1.312 local terms energy: -368.735435 where: bonds (distance) C4'-P energy: -92.712 bonds (distance) P-C4' energy: -95.880 flat angles C4'-P-C4' energy: -78.644 flat angles P-C4'-P energy: -65.486 tors. eta vs tors. theta energy: -36.013 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: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -649.650712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.650712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.650712 (E_RNA) where: Base-Base interactions energy: -315.811 where: short stacking energy: -183.220 Base-Backbone interact. energy: -1.673 local terms energy: -332.167497 where: bonds (distance) C4'-P energy: -84.871 bonds (distance) P-C4' energy: -83.756 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -69.316 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -546.176679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.176679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.176679 (E_RNA) where: Base-Base interactions energy: -246.764 where: short stacking energy: -162.998 Base-Backbone interact. energy: 0.076 local terms energy: -299.489130 where: bonds (distance) C4'-P energy: -86.990 bonds (distance) P-C4' energy: -91.445 flat angles C4'-P-C4' energy: -76.437 flat angles P-C4'-P energy: -50.216 tors. eta vs tors. theta energy: 5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -440.916043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.916043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.916043 (E_RNA) where: Base-Base interactions energy: -173.258 where: short stacking energy: -123.714 Base-Backbone interact. energy: 2.031 local terms energy: -269.689030 where: bonds (distance) C4'-P energy: -82.536 bonds (distance) P-C4' energy: -85.814 flat angles C4'-P-C4' energy: -81.694 flat angles P-C4'-P energy: -42.986 tors. eta vs tors. theta energy: 23.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1600.239090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.239090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.239090 (E_RNA) where: Base-Base interactions energy: -1034.172 where: short stacking energy: -485.250 Base-Backbone interact. energy: -2.781 local terms energy: -563.286655 where: bonds (distance) C4'-P energy: -103.736 bonds (distance) P-C4' energy: -122.790 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -141.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1509.697510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.697510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.697510 (E_RNA) where: Base-Base interactions energy: -1001.569 where: short stacking energy: -474.970 Base-Backbone interact. energy: -1.868 local terms energy: -506.261239 where: bonds (distance) C4'-P energy: -108.112 bonds (distance) P-C4' energy: -103.931 flat angles C4'-P-C4' energy: -97.995 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -129.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1435.797691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.797691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.797691 (E_RNA) where: Base-Base interactions energy: -919.462 where: short stacking energy: -444.597 Base-Backbone interact. energy: -0.612 local terms energy: -515.724116 where: bonds (distance) C4'-P energy: -108.492 bonds (distance) P-C4' energy: -102.786 flat angles C4'-P-C4' energy: -116.634 flat angles P-C4'-P energy: -79.593 tors. eta vs tors. theta energy: -108.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1306.094859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.094859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.094859 (E_RNA) where: Base-Base interactions energy: -830.515 where: short stacking energy: -397.054 Base-Backbone interact. energy: 0.846 local terms energy: -476.425325 where: bonds (distance) C4'-P energy: -103.736 bonds (distance) P-C4' energy: -105.517 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -63.217 tors. eta vs tors. theta energy: -95.671 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: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1275.761285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.761285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.761285 (E_RNA) where: Base-Base interactions energy: -805.480 where: short stacking energy: -373.930 Base-Backbone interact. energy: 1.378 local terms energy: -471.658921 where: bonds (distance) C4'-P energy: -107.419 bonds (distance) P-C4' energy: -100.206 flat angles C4'-P-C4' energy: -101.859 flat angles P-C4'-P energy: -70.298 tors. eta vs tors. theta energy: -91.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1009.581483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.581483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.581483 (E_RNA) where: Base-Base interactions energy: -602.942 where: short stacking energy: -296.180 Base-Backbone interact. energy: -1.258 local terms energy: -405.381572 where: bonds (distance) C4'-P energy: -92.478 bonds (distance) P-C4' energy: -105.252 flat angles C4'-P-C4' energy: -91.650 flat angles P-C4'-P energy: -59.533 tors. eta vs tors. theta energy: -56.469 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: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -874.428462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.428462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.428462 (E_RNA) where: Base-Base interactions energy: -498.105 where: short stacking energy: -246.164 Base-Backbone interact. energy: -2.614 local terms energy: -373.709558 where: bonds (distance) C4'-P energy: -78.429 bonds (distance) P-C4' energy: -109.419 flat angles C4'-P-C4' energy: -79.381 flat angles P-C4'-P energy: -61.197 tors. eta vs tors. theta energy: -45.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -618.673844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.673844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.673844 (E_RNA) where: Base-Base interactions energy: -304.727 where: short stacking energy: -182.970 Base-Backbone interact. energy: -1.345 local terms energy: -312.601753 where: bonds (distance) C4'-P energy: -86.056 bonds (distance) P-C4' energy: -88.978 flat angles C4'-P-C4' energy: -82.719 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: -10.080 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: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -536.690240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.690240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.690240 (E_RNA) where: Base-Base interactions energy: -219.928 where: short stacking energy: -164.640 Base-Backbone interact. energy: 3.176 local terms energy: -319.938848 where: bonds (distance) C4'-P energy: -90.421 bonds (distance) P-C4' energy: -99.608 flat angles C4'-P-C4' energy: -74.299 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -6.334 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: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -436.059885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.059885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.059885 (E_RNA) where: Base-Base interactions energy: -144.802 where: short stacking energy: -115.550 Base-Backbone interact. energy: -1.736 local terms energy: -289.522022 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -89.607 flat angles C4'-P-C4' energy: -97.312 flat angles P-C4'-P energy: -35.306 tors. eta vs tors. theta energy: 12.281 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: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1603.705263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.705263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.705263 (E_RNA) where: Base-Base interactions energy: -1047.202 where: short stacking energy: -519.396 Base-Backbone interact. energy: -3.839 local terms energy: -552.664643 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -103.636 flat angles C4'-P-C4' energy: -121.548 flat angles P-C4'-P energy: -68.718 tors. eta vs tors. theta energy: -142.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1515.335730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.335730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.335730 (E_RNA) where: Base-Base interactions energy: -962.859 where: short stacking energy: -474.514 Base-Backbone interact. energy: -4.441 local terms energy: -548.035707 where: bonds (distance) C4'-P energy: -101.531 bonds (distance) P-C4' energy: -114.485 flat angles C4'-P-C4' energy: -118.638 flat angles P-C4'-P energy: -78.069 tors. eta vs tors. theta energy: -135.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1417.058176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.058176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.058176 (E_RNA) where: Base-Base interactions energy: -907.409 where: short stacking energy: -430.170 Base-Backbone interact. energy: -2.982 local terms energy: -506.667035 where: bonds (distance) C4'-P energy: -106.599 bonds (distance) P-C4' energy: -115.256 flat angles C4'-P-C4' energy: -122.433 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: -108.812 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: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1350.206778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.206778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.206778 (E_RNA) where: Base-Base interactions energy: -867.783 where: short stacking energy: -409.710 Base-Backbone interact. energy: -2.914 local terms energy: -479.509396 where: bonds (distance) C4'-P energy: -108.020 bonds (distance) P-C4' energy: -98.911 flat angles C4'-P-C4' energy: -109.171 flat angles P-C4'-P energy: -62.970 tors. eta vs tors. theta energy: -100.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1221.971799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.971799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.971799 (E_RNA) where: Base-Base interactions energy: -781.446 where: short stacking energy: -354.750 Base-Backbone interact. energy: -1.521 local terms energy: -439.004206 where: bonds (distance) C4'-P energy: -94.841 bonds (distance) P-C4' energy: -106.997 flat angles C4'-P-C4' energy: -107.015 flat angles P-C4'-P energy: -55.679 tors. eta vs tors. theta energy: -74.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1028.130768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.130768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.130768 (E_RNA) where: Base-Base interactions energy: -616.961 where: short stacking energy: -313.052 Base-Backbone interact. energy: -1.711 local terms energy: -409.457972 where: bonds (distance) C4'-P energy: -98.162 bonds (distance) P-C4' energy: -110.796 flat angles C4'-P-C4' energy: -93.595 flat angles P-C4'-P energy: -46.458 tors. eta vs tors. theta energy: -60.447 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: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -890.562537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.562537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.562537 (E_RNA) where: Base-Base interactions energy: -508.183 where: short stacking energy: -266.678 Base-Backbone interact. energy: -0.790 local terms energy: -381.589977 where: bonds (distance) C4'-P energy: -95.164 bonds (distance) P-C4' energy: -98.635 flat angles C4'-P-C4' energy: -89.215 flat angles P-C4'-P energy: -53.562 tors. eta vs tors. theta energy: -45.014 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: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -682.544438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.544438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.544438 (E_RNA) where: Base-Base interactions energy: -337.292 where: short stacking energy: -205.802 Base-Backbone interact. energy: -2.775 local terms energy: -342.477466 where: bonds (distance) C4'-P energy: -92.130 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -95.038 flat angles P-C4'-P energy: -43.817 tors. eta vs tors. theta energy: -15.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -583.963732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.963732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.963732 (E_RNA) where: Base-Base interactions energy: -269.008 where: short stacking energy: -178.542 Base-Backbone interact. energy: 2.568 local terms energy: -317.522900 where: bonds (distance) C4'-P energy: -92.577 bonds (distance) P-C4' energy: -96.905 flat angles C4'-P-C4' energy: -82.376 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: 11.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -480.515046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.515046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.515046 (E_RNA) where: Base-Base interactions energy: -201.433 where: short stacking energy: -142.780 Base-Backbone interact. energy: -1.071 local terms energy: -278.011040 where: bonds (distance) C4'-P energy: -84.432 bonds (distance) P-C4' energy: -89.427 flat angles C4'-P-C4' energy: -86.932 flat angles P-C4'-P energy: -46.607 tors. eta vs tors. theta energy: 29.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1627.197127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.197127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.197127 (E_RNA) where: Base-Base interactions energy: -1058.750 where: short stacking energy: -501.526 Base-Backbone interact. energy: -1.067 local terms energy: -567.379847 where: bonds (distance) C4'-P energy: -118.628 bonds (distance) P-C4' energy: -113.406 flat angles C4'-P-C4' energy: -116.215 flat angles P-C4'-P energy: -81.557 tors. eta vs tors. theta energy: -137.574 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: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1526.610958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.610958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.610958 (E_RNA) where: Base-Base interactions energy: -1006.661 where: short stacking energy: -473.616 Base-Backbone interact. energy: -3.481 local terms energy: -516.468297 where: bonds (distance) C4'-P energy: -108.517 bonds (distance) P-C4' energy: -102.644 flat angles C4'-P-C4' energy: -112.954 flat angles P-C4'-P energy: -71.518 tors. eta vs tors. theta energy: -120.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1431.726394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.726394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.726394 (E_RNA) where: Base-Base interactions energy: -911.640 where: short stacking energy: -435.009 Base-Backbone interact. energy: -3.128 local terms energy: -516.958034 where: bonds (distance) C4'-P energy: -103.192 bonds (distance) P-C4' energy: -111.577 flat angles C4'-P-C4' energy: -110.798 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -118.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1440.460102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.460102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.460102 (E_RNA) where: Base-Base interactions energy: -936.107 where: short stacking energy: -435.899 Base-Backbone interact. energy: -1.318 local terms energy: -503.035465 where: bonds (distance) C4'-P energy: -94.986 bonds (distance) P-C4' energy: -88.240 flat angles C4'-P-C4' energy: -121.447 flat angles P-C4'-P energy: -72.372 tors. eta vs tors. theta energy: -125.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1222.662214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.662214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.662214 (E_RNA) where: Base-Base interactions energy: -779.340 where: short stacking energy: -352.850 Base-Backbone interact. energy: -4.333 local terms energy: -438.989614 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -100.428 flat angles C4'-P-C4' energy: -94.402 flat angles P-C4'-P energy: -71.714 tors. eta vs tors. theta energy: -77.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -999.816606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.816606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.816606 (E_RNA) where: Base-Base interactions energy: -558.946 where: short stacking energy: -318.637 Base-Backbone interact. energy: -2.443 local terms energy: -438.428010 where: bonds (distance) C4'-P energy: -97.972 bonds (distance) P-C4' energy: -109.844 flat angles C4'-P-C4' energy: -105.377 flat angles P-C4'-P energy: -60.799 tors. eta vs tors. theta energy: -64.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -924.287662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.287662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.287662 (E_RNA) where: Base-Base interactions energy: -552.417 where: short stacking energy: -290.997 Base-Backbone interact. energy: 0.590 local terms energy: -372.461006 where: bonds (distance) C4'-P energy: -89.873 bonds (distance) P-C4' energy: -76.221 flat angles C4'-P-C4' energy: -88.541 flat angles P-C4'-P energy: -69.610 tors. eta vs tors. theta energy: -48.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -661.231982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.231982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.231982 (E_RNA) where: Base-Base interactions energy: -336.408 where: short stacking energy: -188.185 Base-Backbone interact. energy: -0.908 local terms energy: -323.915561 where: bonds (distance) C4'-P energy: -79.087 bonds (distance) P-C4' energy: -82.691 flat angles C4'-P-C4' energy: -89.771 flat angles P-C4'-P energy: -61.029 tors. eta vs tors. theta energy: -11.338 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: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -608.632516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.632516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.632516 (E_RNA) where: Base-Base interactions energy: -298.704 where: short stacking energy: -177.627 Base-Backbone interact. energy: -4.524 local terms energy: -305.404636 where: bonds (distance) C4'-P energy: -104.921 bonds (distance) P-C4' energy: -99.826 flat angles C4'-P-C4' energy: -71.360 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: 21.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -421.037649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.037649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.037649 (E_RNA) where: Base-Base interactions energy: -162.389 where: short stacking energy: -121.307 Base-Backbone interact. energy: 8.238 local terms energy: -266.886503 where: bonds (distance) C4'-P energy: -81.484 bonds (distance) P-C4' energy: -101.132 flat angles C4'-P-C4' energy: -76.068 flat angles P-C4'-P energy: -32.094 tors. eta vs tors. theta energy: 23.891 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: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1613.211006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.211006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.211006 (E_RNA) where: Base-Base interactions energy: -1071.978 where: short stacking energy: -502.936 Base-Backbone interact. energy: -4.543 local terms energy: -536.690064 where: bonds (distance) C4'-P energy: -110.742 bonds (distance) P-C4' energy: -108.915 flat angles C4'-P-C4' energy: -115.400 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -134.344 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: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1550.474922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.474922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.474922 (E_RNA) where: Base-Base interactions energy: -1015.311 where: short stacking energy: -451.821 Base-Backbone interact. energy: -2.131 local terms energy: -533.032910 where: bonds (distance) C4'-P energy: -105.134 bonds (distance) P-C4' energy: -110.036 flat angles C4'-P-C4' energy: -114.984 flat angles P-C4'-P energy: -80.929 tors. eta vs tors. theta energy: -121.950 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: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1449.105002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.105002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.105002 (E_RNA) where: Base-Base interactions energy: -915.595 where: short stacking energy: -440.812 Base-Backbone interact. energy: -1.107 local terms energy: -532.403157 where: bonds (distance) C4'-P energy: -102.072 bonds (distance) P-C4' energy: -116.899 flat angles C4'-P-C4' energy: -117.042 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -123.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1378.785287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.785287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.785287 (E_RNA) where: Base-Base interactions energy: -889.680 where: short stacking energy: -400.485 Base-Backbone interact. energy: -1.802 local terms energy: -487.303398 where: bonds (distance) C4'-P energy: -101.889 bonds (distance) P-C4' energy: -98.058 flat angles C4'-P-C4' energy: -111.705 flat angles P-C4'-P energy: -70.082 tors. eta vs tors. theta energy: -105.570 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: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1202.043405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.043405 (E_RNA) where: Base-Base interactions energy: -761.408 where: short stacking energy: -358.928 Base-Backbone interact. energy: -3.248 local terms energy: -437.387153 where: bonds (distance) C4'-P energy: -86.078 bonds (distance) P-C4' energy: -95.043 flat angles C4'-P-C4' energy: -104.321 flat angles P-C4'-P energy: -75.775 tors. eta vs tors. theta energy: -76.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -988.848857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.848857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.848857 (E_RNA) where: Base-Base interactions energy: -595.299 where: short stacking energy: -321.350 Base-Backbone interact. energy: -1.063 local terms energy: -392.487031 where: bonds (distance) C4'-P energy: -110.351 bonds (distance) P-C4' energy: -91.787 flat angles C4'-P-C4' energy: -90.758 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -45.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -983.103123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.103123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.103123 (E_RNA) where: Base-Base interactions energy: -589.040 where: short stacking energy: -292.213 Base-Backbone interact. energy: 0.213 local terms energy: -394.276051 where: bonds (distance) C4'-P energy: -91.476 bonds (distance) P-C4' energy: -104.153 flat angles C4'-P-C4' energy: -87.579 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -59.359 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: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -665.024264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.024264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.024264 (E_RNA) where: Base-Base interactions energy: -327.862 where: short stacking energy: -203.467 Base-Backbone interact. energy: 1.595 local terms energy: -338.757497 where: bonds (distance) C4'-P energy: -105.943 bonds (distance) P-C4' energy: -90.679 flat angles C4'-P-C4' energy: -80.601 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -10.680 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: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -630.353765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.353765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.353765 (E_RNA) where: Base-Base interactions energy: -284.421 where: short stacking energy: -161.072 Base-Backbone interact. energy: 0.316 local terms energy: -346.248571 where: bonds (distance) C4'-P energy: -90.310 bonds (distance) P-C4' energy: -107.543 flat angles C4'-P-C4' energy: -84.365 flat angles P-C4'-P energy: -56.927 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -424.125980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.125980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.125980 (E_RNA) where: Base-Base interactions energy: -149.651 where: short stacking energy: -125.625 Base-Backbone interact. energy: 2.483 local terms energy: -276.957715 where: bonds (distance) C4'-P energy: -101.022 bonds (distance) P-C4' energy: -85.741 flat angles C4'-P-C4' energy: -68.575 flat angles P-C4'-P energy: -34.878 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: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1630.035614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.035614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.035614 (E_RNA) where: Base-Base interactions energy: -1076.276 where: short stacking energy: -499.304 Base-Backbone interact. energy: -3.886 local terms energy: -549.873802 where: bonds (distance) C4'-P energy: -103.569 bonds (distance) P-C4' energy: -111.891 flat angles C4'-P-C4' energy: -113.523 flat angles P-C4'-P energy: -81.948 tors. eta vs tors. theta energy: -138.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1545.698307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.698307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.698307 (E_RNA) where: Base-Base interactions energy: -1031.077 where: short stacking energy: -476.755 Base-Backbone interact. energy: 4.012 local terms energy: -518.633401 where: bonds (distance) C4'-P energy: -106.158 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -117.015 flat angles P-C4'-P energy: -81.817 tors. eta vs tors. theta energy: -130.951 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: 48 Temperature: 1.000000 Total energy: -1475.045459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.045459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.045459 (E_RNA) where: Base-Base interactions energy: -966.214 where: short stacking energy: -457.374 Base-Backbone interact. energy: -1.166 local terms energy: -507.666067 where: bonds (distance) C4'-P energy: -97.908 bonds (distance) P-C4' energy: -91.310 flat angles C4'-P-C4' energy: -119.473 flat angles P-C4'-P energy: -79.372 tors. eta vs tors. theta energy: -119.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1345.250682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.250682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.250682 (E_RNA) where: Base-Base interactions energy: -851.428 where: short stacking energy: -424.307 Base-Backbone interact. energy: -2.877 local terms energy: -490.945870 where: bonds (distance) C4'-P energy: -102.382 bonds (distance) P-C4' energy: -100.618 flat angles C4'-P-C4' energy: -101.538 flat angles P-C4'-P energy: -73.606 tors. eta vs tors. theta energy: -112.801 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: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1202.304193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.304193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.304193 (E_RNA) where: Base-Base interactions energy: -748.431 where: short stacking energy: -358.476 Base-Backbone interact. energy: 0.406 local terms energy: -454.279544 where: bonds (distance) C4'-P energy: -107.873 bonds (distance) P-C4' energy: -94.538 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -76.120 tors. eta vs tors. theta energy: -77.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1035.131509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.131509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.131509 (E_RNA) where: Base-Base interactions energy: -626.132 where: short stacking energy: -312.327 Base-Backbone interact. energy: -0.455 local terms energy: -408.544194 where: bonds (distance) C4'-P energy: -89.564 bonds (distance) P-C4' energy: -96.644 flat angles C4'-P-C4' energy: -107.178 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -64.781 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: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1041.201061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.201061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.201061 (E_RNA) where: Base-Base interactions energy: -617.193 where: short stacking energy: -320.314 Base-Backbone interact. energy: 1.595 local terms energy: -425.603015 where: bonds (distance) C4'-P energy: -96.253 bonds (distance) P-C4' energy: -96.074 flat angles C4'-P-C4' energy: -102.719 flat angles P-C4'-P energy: -68.545 tors. eta vs tors. theta energy: -62.012 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: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -634.756810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.756810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.756810 (E_RNA) where: Base-Base interactions energy: -290.385 where: short stacking energy: -189.264 Base-Backbone interact. energy: 0.635 local terms energy: -345.006454 where: bonds (distance) C4'-P energy: -100.442 bonds (distance) P-C4' energy: -99.777 flat angles C4'-P-C4' energy: -80.241 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -9.349 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: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -597.358450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.358450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.358450 (E_RNA) where: Base-Base interactions energy: -303.118 where: short stacking energy: -174.576 Base-Backbone interact. energy: -0.212 local terms energy: -294.029070 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -96.757 flat angles C4'-P-C4' energy: -88.918 flat angles P-C4'-P energy: -32.732 tors. eta vs tors. theta energy: 4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -496.635177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.635177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.635177 (E_RNA) where: Base-Base interactions energy: -202.563 where: short stacking energy: -161.340 Base-Backbone interact. energy: 0.013 local terms energy: -294.085416 where: bonds (distance) C4'-P energy: -74.477 bonds (distance) P-C4' energy: -103.344 flat angles C4'-P-C4' energy: -83.124 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: 13.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1613.999206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.999206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.999206 (E_RNA) where: Base-Base interactions energy: -1052.975 where: short stacking energy: -491.134 Base-Backbone interact. energy: -2.641 local terms energy: -558.383207 where: bonds (distance) C4'-P energy: -115.585 bonds (distance) P-C4' energy: -109.030 flat angles C4'-P-C4' energy: -117.806 flat angles P-C4'-P energy: -79.580 tors. eta vs tors. theta energy: -136.383 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: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1537.509278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.509278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.509278 (E_RNA) where: Base-Base interactions energy: -1000.810 where: short stacking energy: -455.650 Base-Backbone interact. energy: 0.009 local terms energy: -536.708076 where: bonds (distance) C4'-P energy: -105.244 bonds (distance) P-C4' energy: -114.817 flat angles C4'-P-C4' energy: -127.666 flat angles P-C4'-P energy: -67.367 tors. eta vs tors. theta energy: -121.614 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: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1451.486906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.486906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.486906 (E_RNA) where: Base-Base interactions energy: -966.585 where: short stacking energy: -438.055 Base-Backbone interact. energy: -5.009 local terms energy: -479.892375 where: bonds (distance) C4'-P energy: -100.484 bonds (distance) P-C4' energy: -98.740 flat angles C4'-P-C4' energy: -104.587 flat angles P-C4'-P energy: -67.610 tors. eta vs tors. theta energy: -108.471 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: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1329.936076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.936076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.936076 (E_RNA) where: Base-Base interactions energy: -856.679 where: short stacking energy: -409.279 Base-Backbone interact. energy: -0.083 local terms energy: -473.173632 where: bonds (distance) C4'-P energy: -93.237 bonds (distance) P-C4' energy: -100.325 flat angles C4'-P-C4' energy: -114.384 flat angles P-C4'-P energy: -76.842 tors. eta vs tors. theta energy: -88.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1224.615071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.615071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.615071 (E_RNA) where: Base-Base interactions energy: -768.209 where: short stacking energy: -343.349 Base-Backbone interact. energy: 0.548 local terms energy: -456.953784 where: bonds (distance) C4'-P energy: -95.500 bonds (distance) P-C4' energy: -108.259 flat angles C4'-P-C4' energy: -110.581 flat angles P-C4'-P energy: -71.937 tors. eta vs tors. theta energy: -70.677 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: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -992.646117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.646117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.646117 (E_RNA) where: Base-Base interactions energy: -609.654 where: short stacking energy: -286.883 Base-Backbone interact. energy: 3.692 local terms energy: -386.683905 where: bonds (distance) C4'-P energy: -87.191 bonds (distance) P-C4' energy: -105.340 flat angles C4'-P-C4' energy: -86.371 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -49.940 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -971.587972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.587972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.587972 (E_RNA) where: Base-Base interactions energy: -600.526 where: short stacking energy: -289.180 Base-Backbone interact. energy: -2.010 local terms energy: -369.051465 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -102.783 flat angles C4'-P-C4' energy: -93.412 flat angles P-C4'-P energy: -43.618 tors. eta vs tors. theta energy: -52.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -670.590333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.590333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.590333 (E_RNA) where: Base-Base interactions energy: -335.680 where: short stacking energy: -195.006 Base-Backbone interact. energy: -1.955 local terms energy: -332.955100 where: bonds (distance) C4'-P energy: -84.818 bonds (distance) P-C4' energy: -86.655 flat angles C4'-P-C4' energy: -87.623 flat angles P-C4'-P energy: -61.534 tors. eta vs tors. theta energy: -12.324 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: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -590.702593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.702593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.702593 (E_RNA) where: Base-Base interactions energy: -289.662 where: short stacking energy: -156.090 Base-Backbone interact. energy: -1.822 local terms energy: -299.218242 where: bonds (distance) C4'-P energy: -72.649 bonds (distance) P-C4' energy: -99.573 flat angles C4'-P-C4' energy: -87.232 flat angles P-C4'-P energy: -34.638 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -444.239127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.239127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.239127 (E_RNA) where: Base-Base interactions energy: -161.569 where: short stacking energy: -129.932 Base-Backbone interact. energy: -0.190 local terms energy: -282.479931 where: bonds (distance) C4'-P energy: -92.018 bonds (distance) P-C4' energy: -95.239 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: 29.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1615.891587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.891587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.891587 (E_RNA) where: Base-Base interactions energy: -1042.603 where: short stacking energy: -468.858 Base-Backbone interact. energy: -0.482 local terms energy: -572.806954 where: bonds (distance) C4'-P energy: -116.118 bonds (distance) P-C4' energy: -113.840 flat angles C4'-P-C4' energy: -127.504 flat angles P-C4'-P energy: -77.283 tors. eta vs tors. theta energy: -138.063 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: 50 Temperature: 0.950000 Total energy: -1542.958152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.958152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.958152 (E_RNA) where: Base-Base interactions energy: -992.625 where: short stacking energy: -464.711 Base-Backbone interact. energy: -4.979 local terms energy: -545.354531 where: bonds (distance) C4'-P energy: -115.685 bonds (distance) P-C4' energy: -108.633 flat angles C4'-P-C4' energy: -121.331 flat angles P-C4'-P energy: -77.647 tors. eta vs tors. theta energy: -122.059 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: 50 Temperature: 1.000000 Total energy: -1442.760138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.760138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.760138 (E_RNA) where: Base-Base interactions energy: -929.441 where: short stacking energy: -425.906 Base-Backbone interact. energy: -1.607 local terms energy: -511.711748 where: bonds (distance) C4'-P energy: -101.246 bonds (distance) P-C4' energy: -102.604 flat angles C4'-P-C4' energy: -113.394 flat angles P-C4'-P energy: -77.573 tors. eta vs tors. theta energy: -116.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1361.614198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.614198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.614198 (E_RNA) where: Base-Base interactions energy: -873.802 where: short stacking energy: -375.735 Base-Backbone interact. energy: -5.813 local terms energy: -481.998529 where: bonds (distance) C4'-P energy: -96.042 bonds (distance) P-C4' energy: -109.662 flat angles C4'-P-C4' energy: -112.278 flat angles P-C4'-P energy: -72.236 tors. eta vs tors. theta energy: -91.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1238.126714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.126714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.126714 (E_RNA) where: Base-Base interactions energy: -799.699 where: short stacking energy: -368.605 Base-Backbone interact. energy: -1.823 local terms energy: -436.604396 where: bonds (distance) C4'-P energy: -105.916 bonds (distance) P-C4' energy: -101.447 flat angles C4'-P-C4' energy: -87.595 flat angles P-C4'-P energy: -64.402 tors. eta vs tors. theta energy: -77.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1003.073619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.073619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.073619 (E_RNA) where: Base-Base interactions energy: -609.655 where: short stacking energy: -275.057 Base-Backbone interact. energy: -1.269 local terms energy: -392.149943 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -97.598 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -67.268 tors. eta vs tors. theta energy: -47.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -932.426334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.426334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.426334 (E_RNA) where: Base-Base interactions energy: -551.598 where: short stacking energy: -256.873 Base-Backbone interact. energy: 0.797 local terms energy: -381.625660 where: bonds (distance) C4'-P energy: -99.042 bonds (distance) P-C4' energy: -94.119 flat angles C4'-P-C4' energy: -97.546 flat angles P-C4'-P energy: -44.367 tors. eta vs tors. theta energy: -46.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -673.227902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.227902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.227902 (E_RNA) where: Base-Base interactions energy: -358.036 where: short stacking energy: -212.222 Base-Backbone interact. energy: -1.261 local terms energy: -313.931086 where: bonds (distance) C4'-P energy: -88.386 bonds (distance) P-C4' energy: -100.683 flat angles C4'-P-C4' energy: -84.876 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: 0.718 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: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -612.184236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.184236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.184236 (E_RNA) where: Base-Base interactions energy: -336.741 where: short stacking energy: -191.071 Base-Backbone interact. energy: 3.215 local terms energy: -278.658237 where: bonds (distance) C4'-P energy: -71.967 bonds (distance) P-C4' energy: -103.343 flat angles C4'-P-C4' energy: -69.147 flat angles P-C4'-P energy: -41.433 tors. eta vs tors. theta energy: 7.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -422.498982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.498982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.498982 (E_RNA) where: Base-Base interactions energy: -154.447 where: short stacking energy: -132.565 Base-Backbone interact. energy: 2.761 local terms energy: -270.812961 where: bonds (distance) C4'-P energy: -84.593 bonds (distance) P-C4' energy: -92.982 flat angles C4'-P-C4' energy: -75.091 flat angles P-C4'-P energy: -29.093 tors. eta vs tors. theta energy: 10.946 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: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1584.272469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.272469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.272469 (E_RNA) where: Base-Base interactions energy: -1048.277 where: short stacking energy: -495.638 Base-Backbone interact. energy: -4.090 local terms energy: -531.905869 where: bonds (distance) C4'-P energy: -105.781 bonds (distance) P-C4' energy: -99.020 flat angles C4'-P-C4' energy: -123.341 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: -130.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1559.088366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.088366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.088366 (E_RNA) where: Base-Base interactions energy: -1042.729 where: short stacking energy: -495.018 Base-Backbone interact. energy: 0.159 local terms energy: -516.518230 where: bonds (distance) C4'-P energy: -108.917 bonds (distance) P-C4' energy: -103.825 flat angles C4'-P-C4' energy: -99.347 flat angles P-C4'-P energy: -65.812 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: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1442.518040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.518040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.518040 (E_RNA) where: Base-Base interactions energy: -919.471 where: short stacking energy: -417.721 Base-Backbone interact. energy: 3.931 local terms energy: -526.977647 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -110.041 flat angles C4'-P-C4' energy: -123.292 flat angles P-C4'-P energy: -79.032 tors. eta vs tors. theta energy: -109.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1350.524301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.524301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.524301 (E_RNA) where: Base-Base interactions energy: -870.222 where: short stacking energy: -410.601 Base-Backbone interact. energy: 0.053 local terms energy: -480.355628 where: bonds (distance) C4'-P energy: -101.478 bonds (distance) P-C4' energy: -109.946 flat angles C4'-P-C4' energy: -96.138 flat angles P-C4'-P energy: -70.518 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: 51 Temperature: 1.100000 Total energy: -1206.297155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.297155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.297155 (E_RNA) where: Base-Base interactions energy: -765.312 where: short stacking energy: -353.799 Base-Backbone interact. energy: -2.725 local terms energy: -438.260259 where: bonds (distance) C4'-P energy: -96.900 bonds (distance) P-C4' energy: -104.164 flat angles C4'-P-C4' energy: -99.000 flat angles P-C4'-P energy: -65.476 tors. eta vs tors. theta energy: -72.719 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1039.908778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.908778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.908778 (E_RNA) where: Base-Base interactions energy: -629.142 where: short stacking energy: -304.502 Base-Backbone interact. energy: 2.980 local terms energy: -413.746195 where: bonds (distance) C4'-P energy: -102.589 bonds (distance) P-C4' energy: -88.043 flat angles C4'-P-C4' energy: -91.386 flat angles P-C4'-P energy: -72.448 tors. eta vs tors. theta energy: -59.280 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: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -975.312526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.312526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.312526 (E_RNA) where: Base-Base interactions energy: -597.964 where: short stacking energy: -303.830 Base-Backbone interact. energy: 8.168 local terms energy: -385.516350 where: bonds (distance) C4'-P energy: -82.137 bonds (distance) P-C4' energy: -97.483 flat angles C4'-P-C4' energy: -97.939 flat angles P-C4'-P energy: -51.015 tors. eta vs tors. theta energy: -56.944 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -683.414399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.414399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.414399 (E_RNA) where: Base-Base interactions energy: -370.805 where: short stacking energy: -236.588 Base-Backbone interact. energy: 3.293 local terms energy: -315.902721 where: bonds (distance) C4'-P energy: -93.304 bonds (distance) P-C4' energy: -86.469 flat angles C4'-P-C4' energy: -84.606 flat angles P-C4'-P energy: -35.371 tors. eta vs tors. theta energy: -16.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -630.773848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.773848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.773848 (E_RNA) where: Base-Base interactions energy: -322.536 where: short stacking energy: -182.121 Base-Backbone interact. energy: -1.729 local terms energy: -306.508504 where: bonds (distance) C4'-P energy: -94.066 bonds (distance) P-C4' energy: -90.166 flat angles C4'-P-C4' energy: -61.574 flat angles P-C4'-P energy: -65.753 tors. eta vs tors. theta energy: 5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -447.813456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.813456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.813456 (E_RNA) where: Base-Base interactions energy: -165.678 where: short stacking energy: -132.117 Base-Backbone interact. energy: 3.357 local terms energy: -285.492450 where: bonds (distance) C4'-P energy: -91.458 bonds (distance) P-C4' energy: -85.986 flat angles C4'-P-C4' energy: -69.783 flat angles P-C4'-P energy: -40.600 tors. eta vs tors. theta energy: 2.335 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: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1603.871750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.871750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.871750 (E_RNA) where: Base-Base interactions energy: -1038.335 where: short stacking energy: -498.952 Base-Backbone interact. energy: -1.556 local terms energy: -563.980501 where: bonds (distance) C4'-P energy: -116.555 bonds (distance) P-C4' energy: -107.473 flat angles C4'-P-C4' energy: -118.086 flat angles P-C4'-P energy: -82.304 tors. eta vs tors. theta energy: -139.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1547.130204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.130204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.130204 (E_RNA) where: Base-Base interactions energy: -1010.144 where: short stacking energy: -486.188 Base-Backbone interact. energy: -3.135 local terms energy: -533.851498 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -119.111 flat angles C4'-P-C4' energy: -115.700 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -125.572 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: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1505.708059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.708059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.708059 (E_RNA) where: Base-Base interactions energy: -967.279 where: short stacking energy: -458.699 Base-Backbone interact. energy: -2.639 local terms energy: -535.789677 where: bonds (distance) C4'-P energy: -114.225 bonds (distance) P-C4' energy: -107.682 flat angles C4'-P-C4' energy: -125.230 flat angles P-C4'-P energy: -63.403 tors. eta vs tors. theta energy: -125.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1336.937768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.937768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.937768 (E_RNA) where: Base-Base interactions energy: -868.780 where: short stacking energy: -421.864 Base-Backbone interact. energy: 0.199 local terms energy: -468.356173 where: bonds (distance) C4'-P energy: -85.375 bonds (distance) P-C4' energy: -90.465 flat angles C4'-P-C4' energy: -112.923 flat angles P-C4'-P energy: -72.871 tors. eta vs tors. theta energy: -106.722 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: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1204.669433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.669433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.669433 (E_RNA) where: Base-Base interactions energy: -756.659 where: short stacking energy: -377.197 Base-Backbone interact. energy: -1.552 local terms energy: -446.458228 where: bonds (distance) C4'-P energy: -86.356 bonds (distance) P-C4' energy: -102.235 flat angles C4'-P-C4' energy: -106.799 flat angles P-C4'-P energy: -56.162 tors. eta vs tors. theta energy: -94.906 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: 52 Temperature: 1.150000 Total energy: -1053.313837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.313837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.313837 (E_RNA) where: Base-Base interactions energy: -626.770 where: short stacking energy: -325.868 Base-Backbone interact. energy: -2.979 local terms energy: -423.564302 where: bonds (distance) C4'-P energy: -89.947 bonds (distance) P-C4' energy: -106.846 flat angles C4'-P-C4' energy: -82.834 flat angles P-C4'-P energy: -71.101 tors. eta vs tors. theta energy: -72.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -956.009876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.009876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.009876 (E_RNA) where: Base-Base interactions energy: -551.648 where: short stacking energy: -251.196 Base-Backbone interact. energy: 4.779 local terms energy: -409.140539 where: bonds (distance) C4'-P energy: -80.893 bonds (distance) P-C4' energy: -105.518 flat angles C4'-P-C4' energy: -103.898 flat angles P-C4'-P energy: -61.789 tors. eta vs tors. theta energy: -57.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -731.661351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.661351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.661351 (E_RNA) where: Base-Base interactions energy: -398.427 where: short stacking energy: -232.092 Base-Backbone interact. energy: -0.862 local terms energy: -332.372477 where: bonds (distance) C4'-P energy: -91.525 bonds (distance) P-C4' energy: -103.067 flat angles C4'-P-C4' energy: -73.440 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: -10.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -639.642776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.642776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.642776 (E_RNA) where: Base-Base interactions energy: -356.128 where: short stacking energy: -215.939 Base-Backbone interact. energy: -0.639 local terms energy: -282.875503 where: bonds (distance) C4'-P energy: -77.039 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -78.754 flat angles P-C4'-P energy: -43.951 tors. eta vs tors. theta energy: -2.968 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: 52 Temperature: 1.350000 Total energy: -412.491278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.491278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.491278 (E_RNA) where: Base-Base interactions energy: -143.340 where: short stacking energy: -118.453 Base-Backbone interact. energy: 0.886 local terms energy: -270.036826 where: bonds (distance) C4'-P energy: -84.366 bonds (distance) P-C4' energy: -96.584 flat angles C4'-P-C4' energy: -55.322 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: 19.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1610.389817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.389817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.389817 (E_RNA) where: Base-Base interactions energy: -1049.416 where: short stacking energy: -490.975 Base-Backbone interact. energy: -3.121 local terms energy: -557.852357 where: bonds (distance) C4'-P energy: -107.453 bonds (distance) P-C4' energy: -107.911 flat angles C4'-P-C4' energy: -117.826 flat angles P-C4'-P energy: -82.003 tors. eta vs tors. theta energy: -142.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1558.746001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.746001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.746001 (E_RNA) where: Base-Base interactions energy: -1003.884 where: short stacking energy: -458.411 Base-Backbone interact. energy: -2.648 local terms energy: -552.214815 where: bonds (distance) C4'-P energy: -115.404 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -125.613 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -129.122 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: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1494.156424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.156424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.156424 (E_RNA) where: Base-Base interactions energy: -993.897 where: short stacking energy: -437.220 Base-Backbone interact. energy: -0.706 local terms energy: -499.553681 where: bonds (distance) C4'-P energy: -98.967 bonds (distance) P-C4' energy: -100.170 flat angles C4'-P-C4' energy: -106.224 flat angles P-C4'-P energy: -77.273 tors. eta vs tors. theta energy: -116.921 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: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1390.739566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.739566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.739566 (E_RNA) where: Base-Base interactions energy: -908.093 where: short stacking energy: -403.415 Base-Backbone interact. energy: -3.527 local terms energy: -479.118643 where: bonds (distance) C4'-P energy: -91.414 bonds (distance) P-C4' energy: -101.633 flat angles C4'-P-C4' energy: -115.660 flat angles P-C4'-P energy: -62.889 tors. eta vs tors. theta energy: -107.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1201.582515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.582515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.582515 (E_RNA) where: Base-Base interactions energy: -745.625 where: short stacking energy: -384.892 Base-Backbone interact. energy: -1.715 local terms energy: -454.242700 where: bonds (distance) C4'-P energy: -93.322 bonds (distance) P-C4' energy: -108.436 flat angles C4'-P-C4' energy: -99.125 flat angles P-C4'-P energy: -56.840 tors. eta vs tors. theta energy: -96.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1009.881465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.881465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.881465 (E_RNA) where: Base-Base interactions energy: -619.690 where: short stacking energy: -308.396 Base-Backbone interact. energy: 3.244 local terms energy: -393.435198 where: bonds (distance) C4'-P energy: -81.821 bonds (distance) P-C4' energy: -103.489 flat angles C4'-P-C4' energy: -97.797 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -51.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -932.549580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.549580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.549580 (E_RNA) where: Base-Base interactions energy: -530.302 where: short stacking energy: -260.871 Base-Backbone interact. energy: 5.950 local terms energy: -408.197931 where: bonds (distance) C4'-P energy: -106.205 bonds (distance) P-C4' energy: -90.711 flat angles C4'-P-C4' energy: -111.609 flat angles P-C4'-P energy: -46.346 tors. eta vs tors. theta energy: -53.327 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: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -689.521053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.521053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.521053 (E_RNA) where: Base-Base interactions energy: -375.807 where: short stacking energy: -185.555 Base-Backbone interact. energy: 1.615 local terms energy: -315.328725 where: bonds (distance) C4'-P energy: -98.007 bonds (distance) P-C4' energy: -99.992 flat angles C4'-P-C4' energy: -93.412 flat angles P-C4'-P energy: -24.504 tors. eta vs tors. theta energy: 0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -616.123931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.123931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.123931 (E_RNA) where: Base-Base interactions energy: -318.766 where: short stacking energy: -179.992 Base-Backbone interact. energy: 2.893 local terms energy: -300.250629 where: bonds (distance) C4'-P energy: -83.733 bonds (distance) P-C4' energy: -81.538 flat angles C4'-P-C4' energy: -88.104 flat angles P-C4'-P energy: -44.040 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -432.426295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.426295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.426295 (E_RNA) where: Base-Base interactions energy: -151.718 where: short stacking energy: -141.211 Base-Backbone interact. energy: 1.809 local terms energy: -282.517487 where: bonds (distance) C4'-P energy: -72.712 bonds (distance) P-C4' energy: -100.563 flat angles C4'-P-C4' energy: -62.656 flat angles P-C4'-P energy: -53.744 tors. eta vs tors. theta energy: 7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1633.992573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.992573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.992573 (E_RNA) where: Base-Base interactions energy: -1071.826 where: short stacking energy: -514.593 Base-Backbone interact. energy: -4.326 local terms energy: -557.839914 where: bonds (distance) C4'-P energy: -110.207 bonds (distance) P-C4' energy: -97.387 flat angles C4'-P-C4' energy: -124.019 flat angles P-C4'-P energy: -82.624 tors. eta vs tors. theta energy: -143.603 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: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1568.456452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.456452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.456452 (E_RNA) where: Base-Base interactions energy: -1023.656 where: short stacking energy: -452.602 Base-Backbone interact. energy: -2.662 local terms energy: -542.137720 where: bonds (distance) C4'-P energy: -107.416 bonds (distance) P-C4' energy: -109.461 flat angles C4'-P-C4' energy: -120.543 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -125.587 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: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1487.098978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.098978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.098978 (E_RNA) where: Base-Base interactions energy: -986.436 where: short stacking energy: -441.700 Base-Backbone interact. energy: -1.971 local terms energy: -498.692494 where: bonds (distance) C4'-P energy: -105.961 bonds (distance) P-C4' energy: -103.798 flat angles C4'-P-C4' energy: -104.629 flat angles P-C4'-P energy: -68.796 tors. eta vs tors. theta energy: -115.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1370.768057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.768057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.768057 (E_RNA) where: Base-Base interactions energy: -856.570 where: short stacking energy: -392.234 Base-Backbone interact. energy: -1.612 local terms energy: -512.586762 where: bonds (distance) C4'-P energy: -105.437 bonds (distance) P-C4' energy: -106.809 flat angles C4'-P-C4' energy: -117.150 flat angles P-C4'-P energy: -75.939 tors. eta vs tors. theta energy: -107.252 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: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1247.831004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.831004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.831004 (E_RNA) where: Base-Base interactions energy: -795.023 where: short stacking energy: -377.324 Base-Backbone interact. energy: 0.077 local terms energy: -452.884667 where: bonds (distance) C4'-P energy: -93.507 bonds (distance) P-C4' energy: -94.374 flat angles C4'-P-C4' energy: -112.588 flat angles P-C4'-P energy: -63.114 tors. eta vs tors. theta energy: -89.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1023.660954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.660954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.660954 (E_RNA) where: Base-Base interactions energy: -607.979 where: short stacking energy: -308.842 Base-Backbone interact. energy: 0.981 local terms energy: -416.663201 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -99.276 flat angles C4'-P-C4' energy: -92.161 flat angles P-C4'-P energy: -76.035 tors. eta vs tors. theta energy: -59.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -879.082646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.082646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.082646 (E_RNA) where: Base-Base interactions energy: -542.103 where: short stacking energy: -250.233 Base-Backbone interact. energy: -1.146 local terms energy: -335.833573 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -79.859 flat angles P-C4'-P energy: -47.920 tors. eta vs tors. theta energy: -31.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -734.193956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.193956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.193956 (E_RNA) where: Base-Base interactions energy: -398.543 where: short stacking energy: -214.916 Base-Backbone interact. energy: 6.769 local terms energy: -342.419128 where: bonds (distance) C4'-P energy: -79.453 bonds (distance) P-C4' energy: -94.566 flat angles C4'-P-C4' energy: -74.988 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: -21.790 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: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -637.962818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.962818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.962818 (E_RNA) where: Base-Base interactions energy: -312.783 where: short stacking energy: -162.759 Base-Backbone interact. energy: 1.876 local terms energy: -327.055165 where: bonds (distance) C4'-P energy: -85.850 bonds (distance) P-C4' energy: -105.459 flat angles C4'-P-C4' energy: -77.285 flat angles P-C4'-P energy: -50.228 tors. eta vs tors. theta energy: -8.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -432.665005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.665005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.665005 (E_RNA) where: Base-Base interactions energy: -146.399 where: short stacking energy: -140.023 Base-Backbone interact. energy: 3.124 local terms energy: -289.390514 where: bonds (distance) C4'-P energy: -102.552 bonds (distance) P-C4' energy: -90.862 flat angles C4'-P-C4' energy: -79.295 flat angles P-C4'-P energy: -32.965 tors. eta vs tors. theta energy: 16.284 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: 55 Temperature: 0.900000 Total energy: -1604.204116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.204116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.204116 (E_RNA) where: Base-Base interactions energy: -1038.256 where: short stacking energy: -501.805 Base-Backbone interact. energy: -0.317 local terms energy: -565.631428 where: bonds (distance) C4'-P energy: -112.658 bonds (distance) P-C4' energy: -114.028 flat angles C4'-P-C4' energy: -121.544 flat angles P-C4'-P energy: -81.877 tors. eta vs tors. theta energy: -135.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1554.458214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.458214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.458214 (E_RNA) where: Base-Base interactions energy: -1007.276 where: short stacking energy: -466.746 Base-Backbone interact. energy: -2.510 local terms energy: -544.672097 where: bonds (distance) C4'-P energy: -103.930 bonds (distance) P-C4' energy: -109.852 flat angles C4'-P-C4' energy: -111.022 flat angles P-C4'-P energy: -85.313 tors. eta vs tors. theta energy: -134.555 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: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1516.713982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.713982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.713982 (E_RNA) where: Base-Base interactions energy: -1009.528 where: short stacking energy: -450.508 Base-Backbone interact. energy: -4.031 local terms energy: -503.155010 where: bonds (distance) C4'-P energy: -100.947 bonds (distance) P-C4' energy: -87.233 flat angles C4'-P-C4' energy: -113.646 flat angles P-C4'-P energy: -74.070 tors. eta vs tors. theta energy: -127.259 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: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1364.148060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.148060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.148060 (E_RNA) where: Base-Base interactions energy: -886.049 where: short stacking energy: -402.380 Base-Backbone interact. energy: 1.458 local terms energy: -479.556390 where: bonds (distance) C4'-P energy: -109.899 bonds (distance) P-C4' energy: -97.465 flat angles C4'-P-C4' energy: -92.280 flat angles P-C4'-P energy: -79.098 tors. eta vs tors. theta energy: -100.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1252.327321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.327321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.327321 (E_RNA) where: Base-Base interactions energy: -794.217 where: short stacking energy: -388.109 Base-Backbone interact. energy: 3.616 local terms energy: -461.726473 where: bonds (distance) C4'-P energy: -98.962 bonds (distance) P-C4' energy: -104.602 flat angles C4'-P-C4' energy: -103.055 flat angles P-C4'-P energy: -61.254 tors. eta vs tors. theta energy: -93.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1030.567195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.567195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.567195 (E_RNA) where: Base-Base interactions energy: -607.409 where: short stacking energy: -323.919 Base-Backbone interact. energy: 2.163 local terms energy: -425.320966 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -107.387 flat angles C4'-P-C4' energy: -95.234 flat angles P-C4'-P energy: -67.044 tors. eta vs tors. theta energy: -68.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -879.049268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.049268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.049268 (E_RNA) where: Base-Base interactions energy: -465.792 where: short stacking energy: -277.147 Base-Backbone interact. energy: 0.084 local terms energy: -413.341035 where: bonds (distance) C4'-P energy: -109.159 bonds (distance) P-C4' energy: -104.490 flat angles C4'-P-C4' energy: -92.163 flat angles P-C4'-P energy: -69.274 tors. eta vs tors. theta energy: -38.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -744.597534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.597534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.597534 (E_RNA) where: Base-Base interactions energy: -392.183 where: short stacking energy: -221.295 Base-Backbone interact. energy: -0.531 local terms energy: -351.883074 where: bonds (distance) C4'-P energy: -100.175 bonds (distance) P-C4' energy: -88.405 flat angles C4'-P-C4' energy: -71.356 flat angles P-C4'-P energy: -54.751 tors. eta vs tors. theta energy: -37.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -638.033446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.033446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.033446 (E_RNA) where: Base-Base interactions energy: -322.803 where: short stacking energy: -157.201 Base-Backbone interact. energy: 0.715 local terms energy: -315.945853 where: bonds (distance) C4'-P energy: -88.071 bonds (distance) P-C4' energy: -110.857 flat angles C4'-P-C4' energy: -82.070 flat angles P-C4'-P energy: -39.055 tors. eta vs tors. theta energy: 4.107 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: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -440.498644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.498644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.498644 (E_RNA) where: Base-Base interactions energy: -130.418 where: short stacking energy: -117.488 Base-Backbone interact. energy: -1.407 local terms energy: -308.673455 where: bonds (distance) C4'-P energy: -101.855 bonds (distance) P-C4' energy: -103.058 flat angles C4'-P-C4' energy: -69.028 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: 24.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1625.302786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.302786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.302786 (E_RNA) where: Base-Base interactions energy: -1066.052 where: short stacking energy: -502.286 Base-Backbone interact. energy: 0.897 local terms energy: -560.147047 where: bonds (distance) C4'-P energy: -109.986 bonds (distance) P-C4' energy: -113.666 flat angles C4'-P-C4' energy: -123.918 flat angles P-C4'-P energy: -77.275 tors. eta vs tors. theta energy: -135.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1623.026250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.026250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.026250 (E_RNA) where: Base-Base interactions energy: -1077.417 where: short stacking energy: -510.417 Base-Backbone interact. energy: -1.992 local terms energy: -543.617244 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -117.542 flat angles P-C4'-P energy: -72.489 tors. eta vs tors. theta energy: -144.754 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: 3, replica: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1496.662052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.662052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.662052 (E_RNA) where: Base-Base interactions energy: -977.506 where: short stacking energy: -444.055 Base-Backbone interact. energy: -3.251 local terms energy: -515.904702 where: bonds (distance) C4'-P energy: -107.714 bonds (distance) P-C4' energy: -98.871 flat angles C4'-P-C4' energy: -110.388 flat angles P-C4'-P energy: -79.545 tors. eta vs tors. theta energy: -119.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1367.894929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.894929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.894929 (E_RNA) where: Base-Base interactions energy: -893.788 where: short stacking energy: -422.839 Base-Backbone interact. energy: -1.307 local terms energy: -472.799600 where: bonds (distance) C4'-P energy: -83.714 bonds (distance) P-C4' energy: -102.170 flat angles C4'-P-C4' energy: -110.941 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -106.350 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: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1044.473421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.473421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.473421 (E_RNA) where: Base-Base interactions energy: -626.311 where: short stacking energy: -307.960 Base-Backbone interact. energy: -1.050 local terms energy: -417.112199 where: bonds (distance) C4'-P energy: -90.016 bonds (distance) P-C4' energy: -90.508 flat angles C4'-P-C4' energy: -112.747 flat angles P-C4'-P energy: -68.109 tors. eta vs tors. theta energy: -55.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1140.223544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.223544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.223544 (E_RNA) where: Base-Base interactions energy: -736.026 where: short stacking energy: -337.259 Base-Backbone interact. energy: 0.435 local terms energy: -404.632121 where: bonds (distance) C4'-P energy: -102.038 bonds (distance) P-C4' energy: -79.258 flat angles C4'-P-C4' energy: -91.320 flat angles P-C4'-P energy: -58.947 tors. eta vs tors. theta energy: -73.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -845.020127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.020127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.020127 (E_RNA) where: Base-Base interactions energy: -495.996 where: short stacking energy: -264.483 Base-Backbone interact. energy: -2.262 local terms energy: -346.762434 where: bonds (distance) C4'-P energy: -87.755 bonds (distance) P-C4' energy: -99.956 flat angles C4'-P-C4' energy: -63.019 flat angles P-C4'-P energy: -51.439 tors. eta vs tors. theta energy: -44.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -779.219403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.219403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.219403 (E_RNA) where: Base-Base interactions energy: -428.039 where: short stacking energy: -259.430 Base-Backbone interact. energy: 2.305 local terms energy: -353.484534 where: bonds (distance) C4'-P energy: -97.473 bonds (distance) P-C4' energy: -91.236 flat angles C4'-P-C4' energy: -81.785 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -32.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -662.422953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.422953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.422953 (E_RNA) where: Base-Base interactions energy: -346.279 where: short stacking energy: -167.076 Base-Backbone interact. energy: 4.702 local terms energy: -320.846594 where: bonds (distance) C4'-P energy: -88.565 bonds (distance) P-C4' energy: -85.676 flat angles C4'-P-C4' energy: -88.100 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -7.952 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: 10, replica: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -426.636079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.636079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.636079 (E_RNA) where: Base-Base interactions energy: -122.975 where: short stacking energy: -96.146 Base-Backbone interact. energy: 0.456 local terms energy: -304.117554 where: bonds (distance) C4'-P energy: -88.172 bonds (distance) P-C4' energy: -103.994 flat angles C4'-P-C4' energy: -85.462 flat angles P-C4'-P energy: -49.928 tors. eta vs tors. theta energy: 23.439 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: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1618.235051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.235051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.235051 (E_RNA) where: Base-Base interactions energy: -1044.245 where: short stacking energy: -515.964 Base-Backbone interact. energy: -1.881 local terms energy: -572.109368 where: bonds (distance) C4'-P energy: -105.957 bonds (distance) P-C4' energy: -112.867 flat angles C4'-P-C4' energy: -122.941 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -147.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1585.886372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.886372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.886372 (E_RNA) where: Base-Base interactions energy: -1043.590 where: short stacking energy: -493.782 Base-Backbone interact. energy: -0.187 local terms energy: -542.109156 where: bonds (distance) C4'-P energy: -96.769 bonds (distance) P-C4' energy: -116.312 flat angles C4'-P-C4' energy: -111.661 flat angles P-C4'-P energy: -78.509 tors. eta vs tors. theta energy: -138.858 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: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1513.637413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.637413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.637413 (E_RNA) where: Base-Base interactions energy: -974.673 where: short stacking energy: -464.614 Base-Backbone interact. energy: -1.847 local terms energy: -537.117368 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -117.559 flat angles C4'-P-C4' energy: -121.282 flat angles P-C4'-P energy: -76.530 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: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1379.651422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.651422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.651422 (E_RNA) where: Base-Base interactions energy: -874.170 where: short stacking energy: -411.458 Base-Backbone interact. energy: -2.160 local terms energy: -503.321856 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -109.350 flat angles C4'-P-C4' energy: -119.207 flat angles P-C4'-P energy: -75.400 tors. eta vs tors. theta energy: -105.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1051.417379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.417379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.417379 (E_RNA) where: Base-Base interactions energy: -624.884 where: short stacking energy: -338.090 Base-Backbone interact. energy: -0.563 local terms energy: -425.970176 where: bonds (distance) C4'-P energy: -100.917 bonds (distance) P-C4' energy: -92.260 flat angles C4'-P-C4' energy: -103.947 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: -62.278 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: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1177.316816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.316816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.316816 (E_RNA) where: Base-Base interactions energy: -770.820 where: short stacking energy: -355.820 Base-Backbone interact. energy: -3.750 local terms energy: -402.746916 where: bonds (distance) C4'-P energy: -81.218 bonds (distance) P-C4' energy: -85.674 flat angles C4'-P-C4' energy: -101.322 flat angles P-C4'-P energy: -62.489 tors. eta vs tors. theta energy: -72.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -884.578220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.578220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.578220 (E_RNA) where: Base-Base interactions energy: -512.218 where: short stacking energy: -259.181 Base-Backbone interact. energy: 4.589 local terms energy: -376.949243 where: bonds (distance) C4'-P energy: -88.552 bonds (distance) P-C4' energy: -113.307 flat angles C4'-P-C4' energy: -91.984 flat angles P-C4'-P energy: -55.644 tors. eta vs tors. theta energy: -27.461 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: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -722.776695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.776695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.776695 (E_RNA) where: Base-Base interactions energy: -395.807 where: short stacking energy: -210.593 Base-Backbone interact. energy: 0.612 local terms energy: -327.581663 where: bonds (distance) C4'-P energy: -73.910 bonds (distance) P-C4' energy: -80.143 flat angles C4'-P-C4' energy: -79.802 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -20.076 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: 57 Temperature: 1.300000 Total energy: -745.939921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.939921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.939921 (E_RNA) where: Base-Base interactions energy: -391.007 where: short stacking energy: -215.490 Base-Backbone interact. energy: -0.198 local terms energy: -354.734558 where: bonds (distance) C4'-P energy: -92.830 bonds (distance) P-C4' energy: -91.246 flat angles C4'-P-C4' energy: -81.380 flat angles P-C4'-P energy: -61.401 tors. eta vs tors. theta energy: -27.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -463.894114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.894114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.894114 (E_RNA) where: Base-Base interactions energy: -174.932 where: short stacking energy: -121.483 Base-Backbone interact. energy: 0.089 local terms energy: -289.051172 where: bonds (distance) C4'-P energy: -86.136 bonds (distance) P-C4' energy: -91.725 flat angles C4'-P-C4' energy: -72.675 flat angles P-C4'-P energy: -63.624 tors. eta vs tors. theta energy: 25.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1675.112872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.112872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.112872 (E_RNA) where: Base-Base interactions energy: -1108.439 where: short stacking energy: -509.706 Base-Backbone interact. energy: -1.153 local terms energy: -565.520239 where: bonds (distance) C4'-P energy: -113.234 bonds (distance) P-C4' energy: -94.768 flat angles C4'-P-C4' energy: -123.882 flat angles P-C4'-P energy: -91.717 tors. eta vs tors. theta energy: -141.920 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: 58 Temperature: 0.950000 Total energy: -1564.265137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.265137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.265137 (E_RNA) where: Base-Base interactions energy: -1017.345 where: short stacking energy: -474.793 Base-Backbone interact. energy: -6.404 local terms energy: -540.515717 where: bonds (distance) C4'-P energy: -98.505 bonds (distance) P-C4' energy: -112.972 flat angles C4'-P-C4' energy: -112.810 flat angles P-C4'-P energy: -85.069 tors. eta vs tors. theta energy: -131.161 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: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1411.466771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.466771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.466771 (E_RNA) where: Base-Base interactions energy: -907.839 where: short stacking energy: -430.599 Base-Backbone interact. energy: -3.132 local terms energy: -500.495560 where: bonds (distance) C4'-P energy: -102.051 bonds (distance) P-C4' energy: -107.588 flat angles C4'-P-C4' energy: -111.208 flat angles P-C4'-P energy: -59.536 tors. eta vs tors. theta energy: -120.113 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: 58 Temperature: 1.050000 Total energy: -1361.324032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.324032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.324032 (E_RNA) where: Base-Base interactions energy: -890.847 where: short stacking energy: -400.445 Base-Backbone interact. energy: -0.964 local terms energy: -469.513578 where: bonds (distance) C4'-P energy: -95.363 bonds (distance) P-C4' energy: -113.996 flat angles C4'-P-C4' energy: -104.501 flat angles P-C4'-P energy: -61.546 tors. eta vs tors. theta energy: -94.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1144.783829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.783829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.783829 (E_RNA) where: Base-Base interactions energy: -703.012 where: short stacking energy: -322.727 Base-Backbone interact. energy: 0.277 local terms energy: -442.048539 where: bonds (distance) C4'-P energy: -92.151 bonds (distance) P-C4' energy: -103.614 flat angles C4'-P-C4' energy: -101.423 flat angles P-C4'-P energy: -64.306 tors. eta vs tors. theta energy: -80.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1018.905334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.905334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.905334 (E_RNA) where: Base-Base interactions energy: -606.344 where: short stacking energy: -318.535 Base-Backbone interact. energy: 0.674 local terms energy: -413.236029 where: bonds (distance) C4'-P energy: -96.778 bonds (distance) P-C4' energy: -99.265 flat angles C4'-P-C4' energy: -96.245 flat angles P-C4'-P energy: -55.455 tors. eta vs tors. theta energy: -65.493 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: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -878.010496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.010496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.010496 (E_RNA) where: Base-Base interactions energy: -512.937 where: short stacking energy: -267.368 Base-Backbone interact. energy: -1.294 local terms energy: -363.779911 where: bonds (distance) C4'-P energy: -99.614 bonds (distance) P-C4' energy: -96.026 flat angles C4'-P-C4' energy: -65.384 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: -46.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -730.874587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.874587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.874587 (E_RNA) where: Base-Base interactions energy: -389.122 where: short stacking energy: -220.038 Base-Backbone interact. energy: 0.869 local terms energy: -342.621919 where: bonds (distance) C4'-P energy: -88.572 bonds (distance) P-C4' energy: -101.814 flat angles C4'-P-C4' energy: -80.198 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -20.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -681.551551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.551551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.551551 (E_RNA) where: Base-Base interactions energy: -390.228 where: short stacking energy: -212.250 Base-Backbone interact. energy: 0.453 local terms energy: -291.776738 where: bonds (distance) C4'-P energy: -89.757 bonds (distance) P-C4' energy: -93.976 flat angles C4'-P-C4' energy: -67.722 flat angles P-C4'-P energy: -36.350 tors. eta vs tors. theta energy: -3.972 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: 1 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -454.985681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.985681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.985681 (E_RNA) where: Base-Base interactions energy: -146.864 where: short stacking energy: -113.459 Base-Backbone interact. energy: -3.960 local terms energy: -304.161369 where: bonds (distance) C4'-P energy: -94.795 bonds (distance) P-C4' energy: -90.943 flat angles C4'-P-C4' energy: -83.595 flat angles P-C4'-P energy: -40.394 tors. eta vs tors. theta energy: 5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1650.734820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.734820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.734820 (E_RNA) where: Base-Base interactions energy: -1096.197 where: short stacking energy: -512.154 Base-Backbone interact. energy: -3.491 local terms energy: -551.047020 where: bonds (distance) C4'-P energy: -94.717 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -123.645 flat angles P-C4'-P energy: -92.708 tors. eta vs tors. theta energy: -137.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1549.625616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.625616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.625616 (E_RNA) where: Base-Base interactions energy: -995.821 where: short stacking energy: -468.050 Base-Backbone interact. energy: -3.620 local terms energy: -550.184898 where: bonds (distance) C4'-P energy: -113.770 bonds (distance) P-C4' energy: -113.770 flat angles C4'-P-C4' energy: -120.449 flat angles P-C4'-P energy: -82.839 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: 3, replica: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1418.828443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.828443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.828443 (E_RNA) where: Base-Base interactions energy: -949.071 where: short stacking energy: -410.723 Base-Backbone interact. energy: -3.026 local terms energy: -466.731736 where: bonds (distance) C4'-P energy: -109.082 bonds (distance) P-C4' energy: -104.176 flat angles C4'-P-C4' energy: -91.446 flat angles P-C4'-P energy: -65.831 tors. eta vs tors. theta energy: -96.197 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: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1361.484981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.484981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.484981 (E_RNA) where: Base-Base interactions energy: -877.591 where: short stacking energy: -395.098 Base-Backbone interact. energy: -4.932 local terms energy: -478.962811 where: bonds (distance) C4'-P energy: -98.870 bonds (distance) P-C4' energy: -104.923 flat angles C4'-P-C4' energy: -116.363 flat angles P-C4'-P energy: -67.654 tors. eta vs tors. theta energy: -91.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1186.873148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.873148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.873148 (E_RNA) where: Base-Base interactions energy: -744.619 where: short stacking energy: -332.045 Base-Backbone interact. energy: -1.644 local terms energy: -440.610512 where: bonds (distance) C4'-P energy: -106.364 bonds (distance) P-C4' energy: -83.536 flat angles C4'-P-C4' energy: -104.375 flat angles P-C4'-P energy: -85.022 tors. eta vs tors. theta energy: -61.314 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: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -976.755731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.755731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.755731 (E_RNA) where: Base-Base interactions energy: -572.627 where: short stacking energy: -292.209 Base-Backbone interact. energy: 3.765 local terms energy: -407.893589 where: bonds (distance) C4'-P energy: -86.575 bonds (distance) P-C4' energy: -109.158 flat angles C4'-P-C4' energy: -94.833 flat angles P-C4'-P energy: -63.414 tors. eta vs tors. theta energy: -53.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -833.815914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.815914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.815914 (E_RNA) where: Base-Base interactions energy: -463.671 where: short stacking energy: -241.469 Base-Backbone interact. energy: -1.649 local terms energy: -368.495030 where: bonds (distance) C4'-P energy: -109.722 bonds (distance) P-C4' energy: -93.204 flat angles C4'-P-C4' energy: -93.570 flat angles P-C4'-P energy: -39.590 tors. eta vs tors. theta energy: -32.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -718.283891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.283891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.283891 (E_RNA) where: Base-Base interactions energy: -386.322 where: short stacking energy: -214.487 Base-Backbone interact. energy: -0.385 local terms energy: -331.576291 where: bonds (distance) C4'-P energy: -90.863 bonds (distance) P-C4' energy: -93.719 flat angles C4'-P-C4' energy: -88.901 flat angles P-C4'-P energy: -42.254 tors. eta vs tors. theta energy: -15.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -675.299762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.299762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.299762 (E_RNA) where: Base-Base interactions energy: -349.401 where: short stacking energy: -190.464 Base-Backbone interact. energy: -2.412 local terms energy: -323.486977 where: bonds (distance) C4'-P energy: -76.950 bonds (distance) P-C4' energy: -88.246 flat angles C4'-P-C4' energy: -80.093 flat angles P-C4'-P energy: -58.510 tors. eta vs tors. theta energy: -19.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -415.038629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.038629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.038629 (E_RNA) where: Base-Base interactions energy: -156.080 where: short stacking energy: -120.436 Base-Backbone interact. energy: 1.089 local terms energy: -260.047723 where: bonds (distance) C4'-P energy: -90.185 bonds (distance) P-C4' energy: -87.282 flat angles C4'-P-C4' energy: -73.598 flat angles P-C4'-P energy: -29.674 tors. eta vs tors. theta energy: 20.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1575.137656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.137656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.137656 (E_RNA) where: Base-Base interactions energy: -1027.275 where: short stacking energy: -474.556 Base-Backbone interact. energy: -5.986 local terms energy: -541.876644 where: bonds (distance) C4'-P energy: -110.383 bonds (distance) P-C4' energy: -104.536 flat angles C4'-P-C4' energy: -125.864 flat angles P-C4'-P energy: -78.145 tors. eta vs tors. theta energy: -122.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1587.446487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.446487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.446487 (E_RNA) where: Base-Base interactions energy: -1036.232 where: short stacking energy: -473.806 Base-Backbone interact. energy: -1.492 local terms energy: -549.722130 where: bonds (distance) C4'-P energy: -108.317 bonds (distance) P-C4' energy: -121.369 flat angles C4'-P-C4' energy: -118.665 flat angles P-C4'-P energy: -74.574 tors. eta vs tors. theta energy: -126.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1432.757257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.757257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.757257 (E_RNA) where: Base-Base interactions energy: -929.409 where: short stacking energy: -388.171 Base-Backbone interact. energy: -2.681 local terms energy: -500.667894 where: bonds (distance) C4'-P energy: -100.288 bonds (distance) P-C4' energy: -110.072 flat angles C4'-P-C4' energy: -115.592 flat angles P-C4'-P energy: -81.814 tors. eta vs tors. theta energy: -92.902 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: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1365.280476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.280476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.280476 (E_RNA) where: Base-Base interactions energy: -878.689 where: short stacking energy: -388.799 Base-Backbone interact. energy: 1.641 local terms energy: -488.232894 where: bonds (distance) C4'-P energy: -110.078 bonds (distance) P-C4' energy: -95.475 flat angles C4'-P-C4' energy: -111.827 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -99.070 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: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1222.001771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.001771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.001771 (E_RNA) where: Base-Base interactions energy: -797.698 where: short stacking energy: -358.510 Base-Backbone interact. energy: -2.672 local terms energy: -421.631660 where: bonds (distance) C4'-P energy: -85.660 bonds (distance) P-C4' energy: -113.651 flat angles C4'-P-C4' energy: -97.691 flat angles P-C4'-P energy: -53.156 tors. eta vs tors. theta energy: -71.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1006.745154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.745154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.745154 (E_RNA) where: Base-Base interactions energy: -586.626 where: short stacking energy: -301.962 Base-Backbone interact. energy: 0.041 local terms energy: -420.159880 where: bonds (distance) C4'-P energy: -94.330 bonds (distance) P-C4' energy: -115.114 flat angles C4'-P-C4' energy: -90.770 flat angles P-C4'-P energy: -67.586 tors. eta vs tors. theta energy: -52.361 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: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -825.440230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.440230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.440230 (E_RNA) where: Base-Base interactions energy: -467.273 where: short stacking energy: -252.198 Base-Backbone interact. energy: 0.563 local terms energy: -358.729966 where: bonds (distance) C4'-P energy: -77.763 bonds (distance) P-C4' energy: -96.800 flat angles C4'-P-C4' energy: -101.836 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -36.414 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: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -712.280916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.280916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.280916 (E_RNA) where: Base-Base interactions energy: -369.708 where: short stacking energy: -221.435 Base-Backbone interact. energy: 3.710 local terms energy: -346.282508 where: bonds (distance) C4'-P energy: -80.909 bonds (distance) P-C4' energy: -107.416 flat angles C4'-P-C4' energy: -84.079 flat angles P-C4'-P energy: -61.937 tors. eta vs tors. theta energy: -11.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -675.168275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.168275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.168275 (E_RNA) where: Base-Base interactions energy: -359.453 where: short stacking energy: -209.746 Base-Backbone interact. energy: 2.997 local terms energy: -318.711651 where: bonds (distance) C4'-P energy: -81.017 bonds (distance) P-C4' energy: -99.358 flat angles C4'-P-C4' energy: -77.391 flat angles P-C4'-P energy: -43.949 tors. eta vs tors. theta energy: -16.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -435.682664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.682664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.682664 (E_RNA) where: Base-Base interactions energy: -162.705 where: short stacking energy: -132.012 Base-Backbone interact. energy: -1.523 local terms energy: -271.454615 where: bonds (distance) C4'-P energy: -87.375 bonds (distance) P-C4' energy: -82.890 flat angles C4'-P-C4' energy: -72.406 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: 15.860 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: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1580.750070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.750070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.750070 (E_RNA) where: Base-Base interactions energy: -1029.933 where: short stacking energy: -457.352 Base-Backbone interact. energy: -2.148 local terms energy: -548.668919 where: bonds (distance) C4'-P energy: -113.016 bonds (distance) P-C4' energy: -111.532 flat angles C4'-P-C4' energy: -123.027 flat angles P-C4'-P energy: -75.995 tors. eta vs tors. theta energy: -125.100 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: 61 Temperature: 0.950000 Total energy: -1592.358336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.358336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.358336 (E_RNA) where: Base-Base interactions energy: -1057.083 where: short stacking energy: -482.811 Base-Backbone interact. energy: -4.358 local terms energy: -530.916785 where: bonds (distance) C4'-P energy: -109.809 bonds (distance) P-C4' energy: -96.524 flat angles C4'-P-C4' energy: -114.855 flat angles P-C4'-P energy: -80.795 tors. eta vs tors. theta energy: -128.933 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: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1468.997082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.997082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.997082 (E_RNA) where: Base-Base interactions energy: -963.573 where: short stacking energy: -432.867 Base-Backbone interact. energy: -2.533 local terms energy: -502.891291 where: bonds (distance) C4'-P energy: -100.055 bonds (distance) P-C4' energy: -116.134 flat angles C4'-P-C4' energy: -106.637 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -106.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1341.756137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.756137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.756137 (E_RNA) where: Base-Base interactions energy: -883.702 where: short stacking energy: -411.574 Base-Backbone interact. energy: -1.317 local terms energy: -456.736662 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -105.935 flat angles C4'-P-C4' energy: -109.399 flat angles P-C4'-P energy: -58.957 tors. eta vs tors. theta energy: -95.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1252.689023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.689023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.689023 (E_RNA) where: Base-Base interactions energy: -797.066 where: short stacking energy: -357.502 Base-Backbone interact. energy: -3.598 local terms energy: -452.024427 where: bonds (distance) C4'-P energy: -107.187 bonds (distance) P-C4' energy: -101.086 flat angles C4'-P-C4' energy: -106.336 flat angles P-C4'-P energy: -70.773 tors. eta vs tors. theta energy: -66.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -995.797707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.797707 (E_RNA) where: Base-Base interactions energy: -588.566 where: short stacking energy: -301.969 Base-Backbone interact. energy: -1.037 local terms energy: -406.194385 where: bonds (distance) C4'-P energy: -91.493 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -91.806 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -65.660 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: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -822.124405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.124405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.124405 (E_RNA) where: Base-Base interactions energy: -451.655 where: short stacking energy: -226.096 Base-Backbone interact. energy: -2.716 local terms energy: -367.753762 where: bonds (distance) C4'-P energy: -88.733 bonds (distance) P-C4' energy: -108.017 flat angles C4'-P-C4' energy: -95.337 flat angles P-C4'-P energy: -53.430 tors. eta vs tors. theta energy: -22.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -708.403937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.403937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.403937 (E_RNA) where: Base-Base interactions energy: -355.737 where: short stacking energy: -227.053 Base-Backbone interact. energy: -0.244 local terms energy: -352.422856 where: bonds (distance) C4'-P energy: -88.912 bonds (distance) P-C4' energy: -89.981 flat angles C4'-P-C4' energy: -78.572 flat angles P-C4'-P energy: -59.763 tors. eta vs tors. theta energy: -35.195 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: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -673.999199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.999199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.999199 (E_RNA) where: Base-Base interactions energy: -378.641 where: short stacking energy: -204.003 Base-Backbone interact. energy: 3.988 local terms energy: -299.345749 where: bonds (distance) C4'-P energy: -72.070 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -92.041 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -19.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -429.604706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.604706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.604706 (E_RNA) where: Base-Base interactions energy: -134.513 where: short stacking energy: -127.082 Base-Backbone interact. energy: 2.674 local terms energy: -297.765039 where: bonds (distance) C4'-P energy: -88.822 bonds (distance) P-C4' energy: -95.482 flat angles C4'-P-C4' energy: -66.918 flat angles P-C4'-P energy: -50.966 tors. eta vs tors. theta energy: 4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1675.441346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.441346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.441346 (E_RNA) where: Base-Base interactions energy: -1104.551 where: short stacking energy: -514.023 Base-Backbone interact. energy: -2.269 local terms energy: -568.621529 where: bonds (distance) C4'-P energy: -112.567 bonds (distance) P-C4' energy: -96.266 flat angles C4'-P-C4' energy: -123.607 flat angles P-C4'-P energy: -80.300 tors. eta vs tors. theta energy: -155.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1552.111662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.111662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.111662 (E_RNA) where: Base-Base interactions energy: -1046.944 where: short stacking energy: -478.793 Base-Backbone interact. energy: -0.739 local terms energy: -504.428539 where: bonds (distance) C4'-P energy: -99.879 bonds (distance) P-C4' energy: -100.908 flat angles C4'-P-C4' energy: -115.780 flat angles P-C4'-P energy: -72.619 tors. eta vs tors. theta energy: -115.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1479.853438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.853438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.853438 (E_RNA) where: Base-Base interactions energy: -995.139 where: short stacking energy: -449.862 Base-Backbone interact. energy: -1.962 local terms energy: -482.752436 where: bonds (distance) C4'-P energy: -92.543 bonds (distance) P-C4' energy: -119.086 flat angles C4'-P-C4' energy: -89.976 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -112.740 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: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1290.660637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.660637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.660637 (E_RNA) where: Base-Base interactions energy: -800.006 where: short stacking energy: -396.115 Base-Backbone interact. energy: 0.382 local terms energy: -491.036039 where: bonds (distance) C4'-P energy: -96.319 bonds (distance) P-C4' energy: -93.433 flat angles C4'-P-C4' energy: -118.096 flat angles P-C4'-P energy: -76.767 tors. eta vs tors. theta energy: -106.420 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: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1257.436156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.436156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.436156 (E_RNA) where: Base-Base interactions energy: -811.679 where: short stacking energy: -365.975 Base-Backbone interact. energy: -3.261 local terms energy: -442.495663 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -102.213 flat angles C4'-P-C4' energy: -101.706 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -82.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1013.473226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.473226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.473226 (E_RNA) where: Base-Base interactions energy: -611.802 where: short stacking energy: -309.950 Base-Backbone interact. energy: -2.148 local terms energy: -399.523792 where: bonds (distance) C4'-P energy: -103.200 bonds (distance) P-C4' energy: -100.415 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -33.094 tors. eta vs tors. theta energy: -51.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -825.323973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.323973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.323973 (E_RNA) where: Base-Base interactions energy: -462.698 where: short stacking energy: -247.281 Base-Backbone interact. energy: -2.037 local terms energy: -360.589098 where: bonds (distance) C4'-P energy: -88.921 bonds (distance) P-C4' energy: -104.882 flat angles C4'-P-C4' energy: -80.888 flat angles P-C4'-P energy: -71.420 tors. eta vs tors. theta energy: -14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -675.774332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.774332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.774332 (E_RNA) where: Base-Base interactions energy: -329.392 where: short stacking energy: -189.685 Base-Backbone interact. energy: -0.912 local terms energy: -345.470551 where: bonds (distance) C4'-P energy: -100.828 bonds (distance) P-C4' energy: -91.559 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -64.807 tors. eta vs tors. theta energy: -7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -697.583225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.583225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.583225 (E_RNA) where: Base-Base interactions energy: -381.153 where: short stacking energy: -213.183 Base-Backbone interact. energy: -0.704 local terms energy: -315.726504 where: bonds (distance) C4'-P energy: -92.139 bonds (distance) P-C4' energy: -87.779 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -45.553 tors. eta vs tors. theta energy: -19.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -457.819481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.819481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.819481 (E_RNA) where: Base-Base interactions energy: -187.951 where: short stacking energy: -133.903 Base-Backbone interact. energy: 2.989 local terms energy: -272.857603 where: bonds (distance) C4'-P energy: -94.049 bonds (distance) P-C4' energy: -76.667 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: 6.986 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: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1646.669100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.669100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.669100 (E_RNA) where: Base-Base interactions energy: -1065.997 where: short stacking energy: -497.193 Base-Backbone interact. energy: 2.056 local terms energy: -582.727847 where: bonds (distance) C4'-P energy: -114.141 bonds (distance) P-C4' energy: -114.380 flat angles C4'-P-C4' energy: -125.846 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -148.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1541.689295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.689295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.689295 (E_RNA) where: Base-Base interactions energy: -1016.261 where: short stacking energy: -470.523 Base-Backbone interact. energy: -5.504 local terms energy: -519.924351 where: bonds (distance) C4'-P energy: -104.147 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -109.281 flat angles P-C4'-P energy: -76.060 tors. eta vs tors. theta energy: -123.613 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: 63 Temperature: 1.000000 Total energy: -1490.950411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.950411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.950411 (E_RNA) where: Base-Base interactions energy: -997.806 where: short stacking energy: -464.956 Base-Backbone interact. energy: -1.691 local terms energy: -491.453738 where: bonds (distance) C4'-P energy: -91.876 bonds (distance) P-C4' energy: -89.082 flat angles C4'-P-C4' energy: -116.338 flat angles P-C4'-P energy: -72.568 tors. eta vs tors. theta energy: -121.590 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: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1387.178517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.178517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.178517 (E_RNA) where: Base-Base interactions energy: -883.139 where: short stacking energy: -396.151 Base-Backbone interact. energy: 0.351 local terms energy: -504.390546 where: bonds (distance) C4'-P energy: -106.105 bonds (distance) P-C4' energy: -110.737 flat angles C4'-P-C4' energy: -109.298 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -107.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1261.821434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.821434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.821434 (E_RNA) where: Base-Base interactions energy: -796.552 where: short stacking energy: -363.271 Base-Backbone interact. energy: -1.281 local terms energy: -463.988781 where: bonds (distance) C4'-P energy: -108.830 bonds (distance) P-C4' energy: -105.701 flat angles C4'-P-C4' energy: -103.976 flat angles P-C4'-P energy: -58.791 tors. eta vs tors. theta energy: -86.690 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: 6, replica: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1001.101673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.101673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.101673 (E_RNA) where: Base-Base interactions energy: -578.899 where: short stacking energy: -308.898 Base-Backbone interact. energy: -1.786 local terms energy: -420.416265 where: bonds (distance) C4'-P energy: -93.641 bonds (distance) P-C4' energy: -103.873 flat angles C4'-P-C4' energy: -84.702 flat angles P-C4'-P energy: -69.194 tors. eta vs tors. theta energy: -69.005 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: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -791.648176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.648176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.648176 (E_RNA) where: Base-Base interactions energy: -413.503 where: short stacking energy: -229.891 Base-Backbone interact. energy: -0.174 local terms energy: -377.970732 where: bonds (distance) C4'-P energy: -106.399 bonds (distance) P-C4' energy: -104.027 flat angles C4'-P-C4' energy: -87.466 flat angles P-C4'-P energy: -60.408 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: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -739.679424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.679424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.679424 (E_RNA) where: Base-Base interactions energy: -397.164 where: short stacking energy: -208.170 Base-Backbone interact. energy: 4.944 local terms energy: -347.459844 where: bonds (distance) C4'-P energy: -77.657 bonds (distance) P-C4' energy: -86.627 flat angles C4'-P-C4' energy: -97.929 flat angles P-C4'-P energy: -63.857 tors. eta vs tors. theta energy: -21.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -611.877862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.877862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.877862 (E_RNA) where: Base-Base interactions energy: -310.763 where: short stacking energy: -178.920 Base-Backbone interact. energy: -0.086 local terms energy: -301.029634 where: bonds (distance) C4'-P energy: -97.346 bonds (distance) P-C4' energy: -67.170 flat angles C4'-P-C4' energy: -72.508 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -16.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -462.127170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.127170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.127170 (E_RNA) where: Base-Base interactions energy: -186.594 where: short stacking energy: -135.333 Base-Backbone interact. energy: 8.814 local terms energy: -284.347049 where: bonds (distance) C4'-P energy: -86.225 bonds (distance) P-C4' energy: -102.435 flat angles C4'-P-C4' energy: -88.288 flat angles P-C4'-P energy: -36.834 tors. eta vs tors. theta energy: 29.436 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: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1653.784650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.784650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.784650 (E_RNA) where: Base-Base interactions energy: -1090.362 where: short stacking energy: -516.062 Base-Backbone interact. energy: -2.552 local terms energy: -560.869878 where: bonds (distance) C4'-P energy: -109.753 bonds (distance) P-C4' energy: -106.814 flat angles C4'-P-C4' energy: -124.197 flat angles P-C4'-P energy: -77.112 tors. eta vs tors. theta energy: -142.994 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: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1543.326421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.326421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.326421 (E_RNA) where: Base-Base interactions energy: -1010.727 where: short stacking energy: -450.216 Base-Backbone interact. energy: -3.328 local terms energy: -529.272203 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -103.139 flat angles C4'-P-C4' energy: -122.509 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: -111.259 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: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1431.558634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.558634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.558634 (E_RNA) where: Base-Base interactions energy: -934.464 where: short stacking energy: -404.802 Base-Backbone interact. energy: -1.859 local terms energy: -495.235489 where: bonds (distance) C4'-P energy: -85.383 bonds (distance) P-C4' energy: -112.605 flat angles C4'-P-C4' energy: -108.735 flat angles P-C4'-P energy: -80.257 tors. eta vs tors. theta energy: -108.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1370.643518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.643518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.643518 (E_RNA) where: Base-Base interactions energy: -896.461 where: short stacking energy: -402.250 Base-Backbone interact. energy: -3.202 local terms energy: -470.980289 where: bonds (distance) C4'-P energy: -94.848 bonds (distance) P-C4' energy: -99.298 flat angles C4'-P-C4' energy: -98.673 flat angles P-C4'-P energy: -77.850 tors. eta vs tors. theta energy: -100.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1273.159384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.159384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.159384 (E_RNA) where: Base-Base interactions energy: -820.662 where: short stacking energy: -393.847 Base-Backbone interact. energy: -2.016 local terms energy: -450.481398 where: bonds (distance) C4'-P energy: -84.540 bonds (distance) P-C4' energy: -106.757 flat angles C4'-P-C4' energy: -108.073 flat angles P-C4'-P energy: -55.330 tors. eta vs tors. theta energy: -95.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1015.340172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.340172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.340172 (E_RNA) where: Base-Base interactions energy: -600.288 where: short stacking energy: -305.207 Base-Backbone interact. energy: 0.853 local terms energy: -415.905699 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -100.593 flat angles C4'-P-C4' energy: -101.339 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: -59.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -854.761977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.761977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.761977 (E_RNA) where: Base-Base interactions energy: -490.807 where: short stacking energy: -234.250 Base-Backbone interact. energy: -0.351 local terms energy: -363.603598 where: bonds (distance) C4'-P energy: -92.084 bonds (distance) P-C4' energy: -98.828 flat angles C4'-P-C4' energy: -88.649 flat angles P-C4'-P energy: -51.016 tors. eta vs tors. theta energy: -33.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -728.860121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.860121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.860121 (E_RNA) where: Base-Base interactions energy: -397.327 where: short stacking energy: -221.722 Base-Backbone interact. energy: -2.078 local terms energy: -329.455109 where: bonds (distance) C4'-P energy: -97.368 bonds (distance) P-C4' energy: -75.385 flat angles C4'-P-C4' energy: -71.170 flat angles P-C4'-P energy: -51.405 tors. eta vs tors. theta energy: -34.128 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: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -643.275278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.275278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.275278 (E_RNA) where: Base-Base interactions energy: -319.849 where: short stacking energy: -185.801 Base-Backbone interact. energy: 0.560 local terms energy: -323.986633 where: bonds (distance) C4'-P energy: -99.506 bonds (distance) P-C4' energy: -93.166 flat angles C4'-P-C4' energy: -82.442 flat angles P-C4'-P energy: -29.593 tors. eta vs tors. theta energy: -19.280 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: 1 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -435.589298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.589298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.589298 (E_RNA) where: Base-Base interactions energy: -135.130 where: short stacking energy: -108.131 Base-Backbone interact. energy: 5.210 local terms energy: -305.668878 where: bonds (distance) C4'-P energy: -102.857 bonds (distance) P-C4' energy: -116.977 flat angles C4'-P-C4' energy: -86.786 flat angles P-C4'-P energy: -31.492 tors. eta vs tors. theta energy: 32.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1657.542719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.542719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.542719 (E_RNA) where: Base-Base interactions energy: -1097.807 where: short stacking energy: -508.823 Base-Backbone interact. energy: -3.072 local terms energy: -556.663464 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -101.089 flat angles C4'-P-C4' energy: -119.892 flat angles P-C4'-P energy: -84.150 tors. eta vs tors. theta energy: -143.279 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: 65 Temperature: 0.950000 Total energy: -1572.032622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.032622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.032622 (E_RNA) where: Base-Base interactions energy: -1042.740 where: short stacking energy: -457.114 Base-Backbone interact. energy: -3.268 local terms energy: -526.024073 where: bonds (distance) C4'-P energy: -97.655 bonds (distance) P-C4' energy: -110.944 flat angles C4'-P-C4' energy: -114.726 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: -121.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1449.278724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.278724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.278724 (E_RNA) where: Base-Base interactions energy: -945.433 where: short stacking energy: -426.052 Base-Backbone interact. energy: -0.822 local terms energy: -503.024200 where: bonds (distance) C4'-P energy: -107.403 bonds (distance) P-C4' energy: -97.482 flat angles C4'-P-C4' energy: -121.393 flat angles P-C4'-P energy: -64.455 tors. eta vs tors. theta energy: -112.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1308.271021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.271021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.271021 (E_RNA) where: Base-Base interactions energy: -828.298 where: short stacking energy: -393.214 Base-Backbone interact. energy: 0.348 local terms energy: -480.321618 where: bonds (distance) C4'-P energy: -103.038 bonds (distance) P-C4' energy: -99.618 flat angles C4'-P-C4' energy: -105.328 flat angles P-C4'-P energy: -74.101 tors. eta vs tors. theta energy: -98.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1255.995360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.995360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.995360 (E_RNA) where: Base-Base interactions energy: -786.796 where: short stacking energy: -376.595 Base-Backbone interact. energy: -2.731 local terms energy: -466.467871 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -109.566 flat angles C4'-P-C4' energy: -107.800 flat angles P-C4'-P energy: -64.128 tors. eta vs tors. theta energy: -97.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1003.611184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.611184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.611184 (E_RNA) where: Base-Base interactions energy: -612.508 where: short stacking energy: -308.033 Base-Backbone interact. energy: -1.274 local terms energy: -389.829614 where: bonds (distance) C4'-P energy: -101.057 bonds (distance) P-C4' energy: -86.051 flat angles C4'-P-C4' energy: -89.641 flat angles P-C4'-P energy: -49.513 tors. eta vs tors. theta energy: -63.567 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: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -865.277841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.277841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.277841 (E_RNA) where: Base-Base interactions energy: -482.509 where: short stacking energy: -264.583 Base-Backbone interact. energy: -1.809 local terms energy: -380.960400 where: bonds (distance) C4'-P energy: -90.400 bonds (distance) P-C4' energy: -109.429 flat angles C4'-P-C4' energy: -100.130 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -31.571 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: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -796.441678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.441678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.441678 (E_RNA) where: Base-Base interactions energy: -424.698 where: short stacking energy: -250.875 Base-Backbone interact. energy: -2.587 local terms energy: -369.157198 where: bonds (distance) C4'-P energy: -99.347 bonds (distance) P-C4' energy: -89.565 flat angles C4'-P-C4' energy: -89.612 flat angles P-C4'-P energy: -55.581 tors. eta vs tors. theta energy: -35.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -623.111607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.111607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.111607 (E_RNA) where: Base-Base interactions energy: -318.062 where: short stacking energy: -196.434 Base-Backbone interact. energy: -0.292 local terms energy: -304.757846 where: bonds (distance) C4'-P energy: -94.507 bonds (distance) P-C4' energy: -85.341 flat angles C4'-P-C4' energy: -80.383 flat angles P-C4'-P energy: -50.796 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: 65 Temperature: 1.350000 Total energy: -444.201425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.201425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.201425 (E_RNA) where: Base-Base interactions energy: -169.273 where: short stacking energy: -146.099 Base-Backbone interact. energy: -2.391 local terms energy: -272.537424 where: bonds (distance) C4'-P energy: -87.019 bonds (distance) P-C4' energy: -70.137 flat angles C4'-P-C4' energy: -80.007 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: 4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1681.831929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.831929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.831929 (E_RNA) where: Base-Base interactions energy: -1118.889 where: short stacking energy: -524.778 Base-Backbone interact. energy: -2.662 local terms energy: -560.280760 where: bonds (distance) C4'-P energy: -108.866 bonds (distance) P-C4' energy: -111.891 flat angles C4'-P-C4' energy: -123.070 flat angles P-C4'-P energy: -74.983 tors. eta vs tors. theta energy: -141.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1562.201790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.201790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.201790 (E_RNA) where: Base-Base interactions energy: -1029.924 where: short stacking energy: -442.877 Base-Backbone interact. energy: -3.319 local terms energy: -528.958808 where: bonds (distance) C4'-P energy: -102.047 bonds (distance) P-C4' energy: -112.107 flat angles C4'-P-C4' energy: -116.679 flat angles P-C4'-P energy: -82.592 tors. eta vs tors. theta energy: -115.533 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: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1411.232339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.232339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.232339 (E_RNA) where: Base-Base interactions energy: -917.024 where: short stacking energy: -419.935 Base-Backbone interact. energy: -2.065 local terms energy: -492.143883 where: bonds (distance) C4'-P energy: -88.015 bonds (distance) P-C4' energy: -109.853 flat angles C4'-P-C4' energy: -120.888 flat angles P-C4'-P energy: -63.492 tors. eta vs tors. theta energy: -109.897 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: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1355.271282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.271282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.271282 (E_RNA) where: Base-Base interactions energy: -866.569 where: short stacking energy: -388.931 Base-Backbone interact. energy: -2.014 local terms energy: -486.688917 where: bonds (distance) C4'-P energy: -100.917 bonds (distance) P-C4' energy: -103.086 flat angles C4'-P-C4' energy: -114.860 flat angles P-C4'-P energy: -67.467 tors. eta vs tors. theta energy: -100.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1249.064938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.064938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.064938 (E_RNA) where: Base-Base interactions energy: -782.582 where: short stacking energy: -355.701 Base-Backbone interact. energy: -2.026 local terms energy: -464.456372 where: bonds (distance) C4'-P energy: -98.559 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -104.200 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -89.537 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: 66 Temperature: 1.150000 Total energy: -1043.469546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.469546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.469546 (E_RNA) where: Base-Base interactions energy: -630.087 where: short stacking energy: -322.345 Base-Backbone interact. energy: -0.555 local terms energy: -412.827496 where: bonds (distance) C4'-P energy: -81.253 bonds (distance) P-C4' energy: -103.190 flat angles C4'-P-C4' energy: -103.985 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: -63.101 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: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -879.629346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.629346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.629346 (E_RNA) where: Base-Base interactions energy: -514.637 where: short stacking energy: -249.251 Base-Backbone interact. energy: 2.374 local terms energy: -367.366331 where: bonds (distance) C4'-P energy: -86.222 bonds (distance) P-C4' energy: -99.237 flat angles C4'-P-C4' energy: -91.725 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -39.507 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: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -717.528326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.528326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.528326 (E_RNA) where: Base-Base interactions energy: -347.360 where: short stacking energy: -194.144 Base-Backbone interact. energy: -1.134 local terms energy: -369.034571 where: bonds (distance) C4'-P energy: -94.804 bonds (distance) P-C4' energy: -109.030 flat angles C4'-P-C4' energy: -88.616 flat angles P-C4'-P energy: -44.711 tors. eta vs tors. theta energy: -31.873 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: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -589.473714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.473714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.473714 (E_RNA) where: Base-Base interactions energy: -278.177 where: short stacking energy: -175.241 Base-Backbone interact. energy: -0.007 local terms energy: -311.290363 where: bonds (distance) C4'-P energy: -86.300 bonds (distance) P-C4' energy: -107.221 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: 3.319 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: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -428.689329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.689329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.689329 (E_RNA) where: Base-Base interactions energy: -140.511 where: short stacking energy: -110.358 Base-Backbone interact. energy: 2.228 local terms energy: -290.406814 where: bonds (distance) C4'-P energy: -87.147 bonds (distance) P-C4' energy: -105.363 flat angles C4'-P-C4' energy: -82.824 flat angles P-C4'-P energy: -42.744 tors. eta vs tors. theta energy: 27.672 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: 1, replica: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1666.905043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.905043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.905043 (E_RNA) where: Base-Base interactions energy: -1101.525 where: short stacking energy: -522.203 Base-Backbone interact. energy: -4.670 local terms energy: -560.709843 where: bonds (distance) C4'-P energy: -115.731 bonds (distance) P-C4' energy: -99.692 flat angles C4'-P-C4' energy: -121.433 flat angles P-C4'-P energy: -78.765 tors. eta vs tors. theta energy: -145.089 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: 67 Temperature: 0.950000 Total energy: -1584.398907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.398907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.398907 (E_RNA) where: Base-Base interactions energy: -1031.359 where: short stacking energy: -480.877 Base-Backbone interact. energy: -6.053 local terms energy: -546.986800 where: bonds (distance) C4'-P energy: -104.728 bonds (distance) P-C4' energy: -102.749 flat angles C4'-P-C4' energy: -124.160 flat angles P-C4'-P energy: -81.431 tors. eta vs tors. theta energy: -133.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1384.983687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.983687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.983687 (E_RNA) where: Base-Base interactions energy: -891.258 where: short stacking energy: -410.801 Base-Backbone interact. energy: 0.750 local terms energy: -494.475761 where: bonds (distance) C4'-P energy: -116.434 bonds (distance) P-C4' energy: -109.027 flat angles C4'-P-C4' energy: -111.390 flat angles P-C4'-P energy: -64.923 tors. eta vs tors. theta energy: -92.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1318.974304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.974304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.974304 (E_RNA) where: Base-Base interactions energy: -849.188 where: short stacking energy: -385.632 Base-Backbone interact. energy: -0.819 local terms energy: -468.967899 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -102.755 flat angles C4'-P-C4' energy: -112.017 flat angles P-C4'-P energy: -73.699 tors. eta vs tors. theta energy: -94.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1232.477240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.477240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.477240 (E_RNA) where: Base-Base interactions energy: -771.781 where: short stacking energy: -350.915 Base-Backbone interact. energy: -0.251 local terms energy: -460.444977 where: bonds (distance) C4'-P energy: -94.132 bonds (distance) P-C4' energy: -100.277 flat angles C4'-P-C4' energy: -103.498 flat angles P-C4'-P energy: -69.412 tors. eta vs tors. theta energy: -93.125 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: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1001.606046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.606046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.606046 (E_RNA) where: Base-Base interactions energy: -610.091 where: short stacking energy: -297.790 Base-Backbone interact. energy: 1.164 local terms energy: -392.678825 where: bonds (distance) C4'-P energy: -92.083 bonds (distance) P-C4' energy: -89.299 flat angles C4'-P-C4' energy: -101.248 flat angles P-C4'-P energy: -63.088 tors. eta vs tors. theta energy: -46.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -903.276602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.276602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.276602 (E_RNA) where: Base-Base interactions energy: -534.056 where: short stacking energy: -277.424 Base-Backbone interact. energy: -2.315 local terms energy: -366.905606 where: bonds (distance) C4'-P energy: -88.217 bonds (distance) P-C4' energy: -78.136 flat angles C4'-P-C4' energy: -101.807 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -47.880 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: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -751.861588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.861588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.861588 (E_RNA) where: Base-Base interactions energy: -362.491 where: short stacking energy: -212.332 Base-Backbone interact. energy: -2.033 local terms energy: -387.338328 where: bonds (distance) C4'-P energy: -88.523 bonds (distance) P-C4' energy: -105.276 flat angles C4'-P-C4' energy: -96.473 flat angles P-C4'-P energy: -65.418 tors. eta vs tors. theta energy: -31.648 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: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -551.117952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.117952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.117952 (E_RNA) where: Base-Base interactions energy: -243.391 where: short stacking energy: -134.295 Base-Backbone interact. energy: 6.571 local terms energy: -314.297965 where: bonds (distance) C4'-P energy: -104.743 bonds (distance) P-C4' energy: -89.788 flat angles C4'-P-C4' energy: -88.021 flat angles P-C4'-P energy: -45.478 tors. eta vs tors. theta energy: 13.732 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: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -433.896304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.896304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.896304 (E_RNA) where: Base-Base interactions energy: -142.538 where: short stacking energy: -101.333 Base-Backbone interact. energy: -1.156 local terms energy: -290.202305 where: bonds (distance) C4'-P energy: -77.393 bonds (distance) P-C4' energy: -96.185 flat angles C4'-P-C4' energy: -81.100 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: 13.536 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: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1678.314259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.314259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.314259 (E_RNA) where: Base-Base interactions energy: -1116.715 where: short stacking energy: -505.071 Base-Backbone interact. energy: -2.593 local terms energy: -559.006338 where: bonds (distance) C4'-P energy: -95.571 bonds (distance) P-C4' energy: -114.108 flat angles C4'-P-C4' energy: -123.107 flat angles P-C4'-P energy: -89.875 tors. eta vs tors. theta energy: -136.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1591.050680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.050680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.050680 (E_RNA) where: Base-Base interactions energy: -1038.655 where: short stacking energy: -480.948 Base-Backbone interact. energy: -2.935 local terms energy: -549.461053 where: bonds (distance) C4'-P energy: -106.046 bonds (distance) P-C4' energy: -104.535 flat angles C4'-P-C4' energy: -123.990 flat angles P-C4'-P energy: -78.787 tors. eta vs tors. theta energy: -136.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1410.905823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.905823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.905823 (E_RNA) where: Base-Base interactions energy: -924.680 where: short stacking energy: -428.606 Base-Backbone interact. energy: -0.840 local terms energy: -485.386437 where: bonds (distance) C4'-P energy: -96.582 bonds (distance) P-C4' energy: -100.963 flat angles C4'-P-C4' energy: -117.504 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -96.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1366.433872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.433872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.433872 (E_RNA) where: Base-Base interactions energy: -875.088 where: short stacking energy: -389.201 Base-Backbone interact. energy: -2.270 local terms energy: -489.075548 where: bonds (distance) C4'-P energy: -101.190 bonds (distance) P-C4' energy: -118.925 flat angles C4'-P-C4' energy: -100.995 flat angles P-C4'-P energy: -69.174 tors. eta vs tors. theta energy: -98.792 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: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1307.852387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.852387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.852387 (E_RNA) where: Base-Base interactions energy: -801.038 where: short stacking energy: -401.578 Base-Backbone interact. energy: 1.180 local terms energy: -507.993680 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -102.842 flat angles C4'-P-C4' energy: -116.941 flat angles P-C4'-P energy: -75.231 tors. eta vs tors. theta energy: -117.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1063.075092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.075092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.075092 (E_RNA) where: Base-Base interactions energy: -632.054 where: short stacking energy: -301.856 Base-Backbone interact. energy: -3.898 local terms energy: -427.123902 where: bonds (distance) C4'-P energy: -98.796 bonds (distance) P-C4' energy: -102.006 flat angles C4'-P-C4' energy: -102.806 flat angles P-C4'-P energy: -63.282 tors. eta vs tors. theta energy: -60.234 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: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -798.058167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.058167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.058167 (E_RNA) where: Base-Base interactions energy: -441.152 where: short stacking energy: -207.434 Base-Backbone interact. energy: -2.077 local terms energy: -354.829368 where: bonds (distance) C4'-P energy: -106.613 bonds (distance) P-C4' energy: -93.459 flat angles C4'-P-C4' energy: -91.221 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -19.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -743.157950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.157950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.157950 (E_RNA) where: Base-Base interactions energy: -387.536 where: short stacking energy: -206.946 Base-Backbone interact. energy: -2.128 local terms energy: -353.493581 where: bonds (distance) C4'-P energy: -94.289 bonds (distance) P-C4' energy: -85.123 flat angles C4'-P-C4' energy: -90.356 flat angles P-C4'-P energy: -54.629 tors. eta vs tors. theta energy: -29.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -546.983475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.983475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.983475 (E_RNA) where: Base-Base interactions energy: -236.747 where: short stacking energy: -145.483 Base-Backbone interact. energy: 0.113 local terms energy: -310.349153 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -94.510 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: 12.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -435.065657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.065657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.065657 (E_RNA) where: Base-Base interactions energy: -137.659 where: short stacking energy: -118.979 Base-Backbone interact. energy: -1.953 local terms energy: -295.454396 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -74.594 flat angles P-C4'-P energy: -48.801 tors. eta vs tors. theta energy: 17.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1692.082524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.082524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.082524 (E_RNA) where: Base-Base interactions energy: -1122.559 where: short stacking energy: -491.858 Base-Backbone interact. energy: -5.256 local terms energy: -564.268029 where: bonds (distance) C4'-P energy: -113.515 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -124.795 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: -136.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1574.394604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.394604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.394604 (E_RNA) where: Base-Base interactions energy: -1054.177 where: short stacking energy: -476.293 Base-Backbone interact. energy: -4.975 local terms energy: -515.242803 where: bonds (distance) C4'-P energy: -100.363 bonds (distance) P-C4' energy: -96.111 flat angles C4'-P-C4' energy: -118.622 flat angles P-C4'-P energy: -73.149 tors. eta vs tors. theta energy: -126.999 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: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1463.868676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.868676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.868676 (E_RNA) where: Base-Base interactions energy: -956.454 where: short stacking energy: -451.967 Base-Backbone interact. energy: 2.785 local terms energy: -510.200258 where: bonds (distance) C4'-P energy: -111.573 bonds (distance) P-C4' energy: -107.375 flat angles C4'-P-C4' energy: -102.894 flat angles P-C4'-P energy: -67.969 tors. eta vs tors. theta energy: -120.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1414.733655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.733655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.733655 (E_RNA) where: Base-Base interactions energy: -918.931 where: short stacking energy: -422.284 Base-Backbone interact. energy: -0.137 local terms energy: -495.665450 where: bonds (distance) C4'-P energy: -98.804 bonds (distance) P-C4' energy: -101.049 flat angles C4'-P-C4' energy: -122.543 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: -99.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1256.350580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.350580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.350580 (E_RNA) where: Base-Base interactions energy: -784.231 where: short stacking energy: -367.466 Base-Backbone interact. energy: 1.602 local terms energy: -473.721054 where: bonds (distance) C4'-P energy: -103.430 bonds (distance) P-C4' energy: -97.160 flat angles C4'-P-C4' energy: -110.512 flat angles P-C4'-P energy: -73.325 tors. eta vs tors. theta energy: -89.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1059.324203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.324203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.324203 (E_RNA) where: Base-Base interactions energy: -684.549 where: short stacking energy: -294.094 Base-Backbone interact. energy: -1.668 local terms energy: -373.107626 where: bonds (distance) C4'-P energy: -87.261 bonds (distance) P-C4' energy: -90.537 flat angles C4'-P-C4' energy: -84.064 flat angles P-C4'-P energy: -61.463 tors. eta vs tors. theta energy: -49.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -798.197941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.197941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.197941 (E_RNA) where: Base-Base interactions energy: -446.910 where: short stacking energy: -218.805 Base-Backbone interact. energy: 1.133 local terms energy: -352.421541 where: bonds (distance) C4'-P energy: -93.562 bonds (distance) P-C4' energy: -92.034 flat angles C4'-P-C4' energy: -99.658 flat angles P-C4'-P energy: -45.077 tors. eta vs tors. theta energy: -22.090 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: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -750.025722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.025722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.025722 (E_RNA) where: Base-Base interactions energy: -395.484 where: short stacking energy: -228.210 Base-Backbone interact. energy: 3.097 local terms energy: -357.638947 where: bonds (distance) C4'-P energy: -93.519 bonds (distance) P-C4' energy: -94.355 flat angles C4'-P-C4' energy: -84.899 flat angles P-C4'-P energy: -50.092 tors. eta vs tors. theta energy: -34.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -600.860813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.860813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.860813 (E_RNA) where: Base-Base interactions energy: -289.839 where: short stacking energy: -146.380 Base-Backbone interact. energy: -0.833 local terms energy: -310.188141 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -83.421 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: 4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -432.652877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.652877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.652877 (E_RNA) where: Base-Base interactions energy: -154.726 where: short stacking energy: -126.990 Base-Backbone interact. energy: -2.629 local terms energy: -275.298479 where: bonds (distance) C4'-P energy: -84.602 bonds (distance) P-C4' energy: -94.931 flat angles C4'-P-C4' energy: -80.838 flat angles P-C4'-P energy: -31.605 tors. eta vs tors. theta energy: 16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1672.360674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.360674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.360674 (E_RNA) where: Base-Base interactions energy: -1138.791 where: short stacking energy: -544.815 Base-Backbone interact. energy: -3.496 local terms energy: -530.073394 where: bonds (distance) C4'-P energy: -106.436 bonds (distance) P-C4' energy: -96.229 flat angles C4'-P-C4' energy: -115.920 flat angles P-C4'-P energy: -70.546 tors. eta vs tors. theta energy: -140.942 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: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1552.817417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.817417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.817417 (E_RNA) where: Base-Base interactions energy: -1030.456 where: short stacking energy: -471.752 Base-Backbone interact. energy: 0.539 local terms energy: -522.899900 where: bonds (distance) C4'-P energy: -108.955 bonds (distance) P-C4' energy: -97.658 flat angles C4'-P-C4' energy: -105.548 flat angles P-C4'-P energy: -83.040 tors. eta vs tors. theta energy: -127.699 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: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1464.466536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.466536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.466536 (E_RNA) where: Base-Base interactions energy: -989.235 where: short stacking energy: -421.991 Base-Backbone interact. energy: -3.226 local terms energy: -472.005291 where: bonds (distance) C4'-P energy: -90.281 bonds (distance) P-C4' energy: -101.660 flat angles C4'-P-C4' energy: -106.325 flat angles P-C4'-P energy: -75.727 tors. eta vs tors. theta energy: -98.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1369.352995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.352995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.352995 (E_RNA) where: Base-Base interactions energy: -913.824 where: short stacking energy: -426.250 Base-Backbone interact. energy: -3.499 local terms energy: -452.030385 where: bonds (distance) C4'-P energy: -83.447 bonds (distance) P-C4' energy: -91.787 flat angles C4'-P-C4' energy: -100.311 flat angles P-C4'-P energy: -80.176 tors. eta vs tors. theta energy: -96.309 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: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1286.055035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.055035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.055035 (E_RNA) where: Base-Base interactions energy: -808.422 where: short stacking energy: -387.374 Base-Backbone interact. energy: -0.728 local terms energy: -476.904580 where: bonds (distance) C4'-P energy: -95.448 bonds (distance) P-C4' energy: -103.661 flat angles C4'-P-C4' energy: -116.783 flat angles P-C4'-P energy: -70.986 tors. eta vs tors. theta energy: -90.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1019.480826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.480826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.480826 (E_RNA) where: Base-Base interactions energy: -608.710 where: short stacking energy: -294.389 Base-Backbone interact. energy: -0.611 local terms energy: -410.159495 where: bonds (distance) C4'-P energy: -100.293 bonds (distance) P-C4' energy: -93.772 flat angles C4'-P-C4' energy: -92.942 flat angles P-C4'-P energy: -67.528 tors. eta vs tors. theta energy: -55.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -916.157288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.157288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.157288 (E_RNA) where: Base-Base interactions energy: -520.210 where: short stacking energy: -237.936 Base-Backbone interact. energy: -0.552 local terms energy: -395.394500 where: bonds (distance) C4'-P energy: -86.844 bonds (distance) P-C4' energy: -108.751 flat angles C4'-P-C4' energy: -95.846 flat angles P-C4'-P energy: -71.364 tors. eta vs tors. theta energy: -32.589 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: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -770.224849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.224849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.224849 (E_RNA) where: Base-Base interactions energy: -416.827 where: short stacking energy: -216.450 Base-Backbone interact. energy: 1.207 local terms energy: -354.604797 where: bonds (distance) C4'-P energy: -84.919 bonds (distance) P-C4' energy: -101.038 flat angles C4'-P-C4' energy: -86.618 flat angles P-C4'-P energy: -57.383 tors. eta vs tors. theta energy: -24.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -623.074519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.074519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.074519 (E_RNA) where: Base-Base interactions energy: -324.990 where: short stacking energy: -194.145 Base-Backbone interact. energy: 0.390 local terms energy: -298.474146 where: bonds (distance) C4'-P energy: -69.377 bonds (distance) P-C4' energy: -81.621 flat angles C4'-P-C4' energy: -85.159 flat angles P-C4'-P energy: -51.221 tors. eta vs tors. theta energy: -11.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -436.850095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.850095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.850095 (E_RNA) where: Base-Base interactions energy: -158.596 where: short stacking energy: -130.107 Base-Backbone interact. energy: 5.871 local terms energy: -284.125096 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -106.314 flat angles C4'-P-C4' energy: -72.426 flat angles P-C4'-P energy: -36.037 tors. eta vs tors. theta energy: 17.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1704.026808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.026808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.026808 (E_RNA) where: Base-Base interactions energy: -1133.744 where: short stacking energy: -537.242 Base-Backbone interact. energy: -2.234 local terms energy: -568.048747 where: bonds (distance) C4'-P energy: -99.928 bonds (distance) P-C4' energy: -116.462 flat angles C4'-P-C4' energy: -122.963 flat angles P-C4'-P energy: -75.649 tors. eta vs tors. theta energy: -153.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1556.521538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.521538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.521538 (E_RNA) where: Base-Base interactions energy: -1028.918 where: short stacking energy: -471.915 Base-Backbone interact. energy: 0.390 local terms energy: -527.993331 where: bonds (distance) C4'-P energy: -103.307 bonds (distance) P-C4' energy: -120.626 flat angles C4'-P-C4' energy: -113.364 flat angles P-C4'-P energy: -74.877 tors. eta vs tors. theta energy: -115.819 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: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1473.237095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.237095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.237095 (E_RNA) where: Base-Base interactions energy: -991.988 where: short stacking energy: -404.973 Base-Backbone interact. energy: -1.264 local terms energy: -479.985307 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -106.010 flat angles C4'-P-C4' energy: -103.831 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -90.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1360.145808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.145808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.145808 (E_RNA) where: Base-Base interactions energy: -876.179 where: short stacking energy: -411.255 Base-Backbone interact. energy: -0.710 local terms energy: -483.256920 where: bonds (distance) C4'-P energy: -90.515 bonds (distance) P-C4' energy: -107.321 flat angles C4'-P-C4' energy: -115.466 flat angles P-C4'-P energy: -79.285 tors. eta vs tors. theta energy: -90.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1247.128040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.128040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.128040 (E_RNA) where: Base-Base interactions energy: -779.655 where: short stacking energy: -375.673 Base-Backbone interact. energy: -4.303 local terms energy: -463.170412 where: bonds (distance) C4'-P energy: -98.688 bonds (distance) P-C4' energy: -91.817 flat angles C4'-P-C4' energy: -112.988 flat angles P-C4'-P energy: -78.523 tors. eta vs tors. theta energy: -81.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -983.982849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.982849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.982849 (E_RNA) where: Base-Base interactions energy: -563.589 where: short stacking energy: -295.989 Base-Backbone interact. energy: 1.071 local terms energy: -421.464854 where: bonds (distance) C4'-P energy: -88.637 bonds (distance) P-C4' energy: -101.526 flat angles C4'-P-C4' energy: -114.933 flat angles P-C4'-P energy: -64.023 tors. eta vs tors. theta energy: -52.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1005.755735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.755735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.755735 (E_RNA) where: Base-Base interactions energy: -613.863 where: short stacking energy: -281.749 Base-Backbone interact. energy: -0.672 local terms energy: -391.221063 where: bonds (distance) C4'-P energy: -86.266 bonds (distance) P-C4' energy: -106.620 flat angles C4'-P-C4' energy: -93.462 flat angles P-C4'-P energy: -57.250 tors. eta vs tors. theta energy: -47.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -733.838420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.838420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.838420 (E_RNA) where: Base-Base interactions energy: -399.118 where: short stacking energy: -201.631 Base-Backbone interact. energy: -2.786 local terms energy: -331.934923 where: bonds (distance) C4'-P energy: -109.459 bonds (distance) P-C4' energy: -82.131 flat angles C4'-P-C4' energy: -82.800 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: -10.059 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: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -561.887581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.887581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.887581 (E_RNA) where: Base-Base interactions energy: -258.929 where: short stacking energy: -153.761 Base-Backbone interact. energy: -0.712 local terms energy: -302.246397 where: bonds (distance) C4'-P energy: -82.490 bonds (distance) P-C4' energy: -90.441 flat angles C4'-P-C4' energy: -72.326 flat angles P-C4'-P energy: -56.058 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -524.293744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.293744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.293744 (E_RNA) where: Base-Base interactions energy: -254.281 where: short stacking energy: -145.867 Base-Backbone interact. energy: 1.247 local terms energy: -271.259387 where: bonds (distance) C4'-P energy: -95.077 bonds (distance) P-C4' energy: -92.758 flat angles C4'-P-C4' energy: -80.688 flat angles P-C4'-P energy: -21.986 tors. eta vs tors. theta energy: 19.249 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: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1679.528866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.528866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.528866 (E_RNA) where: Base-Base interactions energy: -1102.171 where: short stacking energy: -504.571 Base-Backbone interact. energy: -2.296 local terms energy: -575.062103 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -117.598 flat angles C4'-P-C4' energy: -121.397 flat angles P-C4'-P energy: -82.743 tors. eta vs tors. theta energy: -142.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1527.978676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.978676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.978676 (E_RNA) where: Base-Base interactions energy: -1004.866 where: short stacking energy: -475.521 Base-Backbone interact. energy: -5.994 local terms energy: -517.118520 where: bonds (distance) C4'-P energy: -100.241 bonds (distance) P-C4' energy: -107.163 flat angles C4'-P-C4' energy: -114.112 flat angles P-C4'-P energy: -78.697 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: 3, replica: 7 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1468.695473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.695473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.695473 (E_RNA) where: Base-Base interactions energy: -968.940 where: short stacking energy: -429.046 Base-Backbone interact. energy: -4.379 local terms energy: -495.376487 where: bonds (distance) C4'-P energy: -87.007 bonds (distance) P-C4' energy: -103.229 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -89.161 tors. eta vs tors. theta energy: -104.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1361.205101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.205101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.205101 (E_RNA) where: Base-Base interactions energy: -885.760 where: short stacking energy: -394.846 Base-Backbone interact. energy: -0.001 local terms energy: -475.444157 where: bonds (distance) C4'-P energy: -109.405 bonds (distance) P-C4' energy: -96.730 flat angles C4'-P-C4' energy: -98.663 flat angles P-C4'-P energy: -75.640 tors. eta vs tors. theta energy: -95.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1289.075834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.075834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.075834 (E_RNA) where: Base-Base interactions energy: -814.112 where: short stacking energy: -407.296 Base-Backbone interact. energy: -2.908 local terms energy: -472.055511 where: bonds (distance) C4'-P energy: -87.700 bonds (distance) P-C4' energy: -100.603 flat angles C4'-P-C4' energy: -110.597 flat angles P-C4'-P energy: -68.782 tors. eta vs tors. theta energy: -104.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -964.119723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.119723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.119723 (E_RNA) where: Base-Base interactions energy: -537.128 where: short stacking energy: -318.894 Base-Backbone interact. energy: -1.949 local terms energy: -425.043340 where: bonds (distance) C4'-P energy: -89.161 bonds (distance) P-C4' energy: -108.707 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: -74.042 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: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -969.750966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.750966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.750966 (E_RNA) where: Base-Base interactions energy: -572.834 where: short stacking energy: -271.539 Base-Backbone interact. energy: -0.355 local terms energy: -396.561731 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -107.021 flat angles C4'-P-C4' energy: -95.094 flat angles P-C4'-P energy: -60.729 tors. eta vs tors. theta energy: -46.218 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: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -718.584489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.584489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.584489 (E_RNA) where: Base-Base interactions energy: -366.970 where: short stacking energy: -206.770 Base-Backbone interact. energy: 2.941 local terms energy: -354.555677 where: bonds (distance) C4'-P energy: -92.415 bonds (distance) P-C4' energy: -94.425 flat angles C4'-P-C4' energy: -80.497 flat angles P-C4'-P energy: -60.663 tors. eta vs tors. theta energy: -26.556 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: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -490.362223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.362223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.362223 (E_RNA) where: Base-Base interactions energy: -215.098 where: short stacking energy: -143.672 Base-Backbone interact. energy: 1.864 local terms energy: -277.128409 where: bonds (distance) C4'-P energy: -82.640 bonds (distance) P-C4' energy: -89.677 flat angles C4'-P-C4' energy: -83.241 flat angles P-C4'-P energy: -39.153 tors. eta vs tors. theta energy: 17.583 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: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -542.760515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.760515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.760515 (E_RNA) where: Base-Base interactions energy: -255.617 where: short stacking energy: -159.072 Base-Backbone interact. energy: 5.595 local terms energy: -292.739445 where: bonds (distance) C4'-P energy: -78.474 bonds (distance) P-C4' energy: -96.525 flat angles C4'-P-C4' energy: -75.963 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: 6.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1698.261686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.261686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.261686 (E_RNA) where: Base-Base interactions energy: -1143.203 where: short stacking energy: -512.678 Base-Backbone interact. energy: -1.645 local terms energy: -553.414090 where: bonds (distance) C4'-P energy: -114.080 bonds (distance) P-C4' energy: -115.963 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -74.957 tors. eta vs tors. theta energy: -141.627 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: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1520.283868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.283868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.283868 (E_RNA) where: Base-Base interactions energy: -1006.566 where: short stacking energy: -468.024 Base-Backbone interact. energy: -0.028 local terms energy: -513.689733 where: bonds (distance) C4'-P energy: -95.202 bonds (distance) P-C4' energy: -105.456 flat angles C4'-P-C4' energy: -112.574 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -123.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1467.399294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.399294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.399294 (E_RNA) where: Base-Base interactions energy: -971.446 where: short stacking energy: -414.759 Base-Backbone interact. energy: -2.288 local terms energy: -493.665293 where: bonds (distance) C4'-P energy: -116.972 bonds (distance) P-C4' energy: -113.596 flat angles C4'-P-C4' energy: -112.779 flat angles P-C4'-P energy: -67.041 tors. eta vs tors. theta energy: -83.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1402.129420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.129420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.129420 (E_RNA) where: Base-Base interactions energy: -930.454 where: short stacking energy: -421.585 Base-Backbone interact. energy: -1.621 local terms energy: -470.054391 where: bonds (distance) C4'-P energy: -94.000 bonds (distance) P-C4' energy: -109.185 flat angles C4'-P-C4' energy: -100.982 flat angles P-C4'-P energy: -49.804 tors. eta vs tors. theta energy: -116.084 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: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1297.220364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.220364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.220364 (E_RNA) where: Base-Base interactions energy: -838.207 where: short stacking energy: -395.209 Base-Backbone interact. energy: -0.950 local terms energy: -458.063653 where: bonds (distance) C4'-P energy: -79.766 bonds (distance) P-C4' energy: -106.357 flat angles C4'-P-C4' energy: -115.225 flat angles P-C4'-P energy: -74.191 tors. eta vs tors. theta energy: -82.525 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: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1056.141499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.141499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.141499 (E_RNA) where: Base-Base interactions energy: -661.819 where: short stacking energy: -295.594 Base-Backbone interact. energy: -3.406 local terms energy: -390.916125 where: bonds (distance) C4'-P energy: -98.211 bonds (distance) P-C4' energy: -86.539 flat angles C4'-P-C4' energy: -97.356 flat angles P-C4'-P energy: -60.627 tors. eta vs tors. theta energy: -48.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -890.557824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.557824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.557824 (E_RNA) where: Base-Base interactions energy: -512.891 where: short stacking energy: -288.795 Base-Backbone interact. energy: 0.174 local terms energy: -377.841191 where: bonds (distance) C4'-P energy: -89.450 bonds (distance) P-C4' energy: -106.358 flat angles C4'-P-C4' energy: -101.851 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: -37.615 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: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -758.022563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.022563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.022563 (E_RNA) where: Base-Base interactions energy: -432.683 where: short stacking energy: -223.925 Base-Backbone interact. energy: -0.412 local terms energy: -324.927960 where: bonds (distance) C4'-P energy: -84.058 bonds (distance) P-C4' energy: -80.666 flat angles C4'-P-C4' energy: -81.095 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -20.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -535.035806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.035806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.035806 (E_RNA) where: Base-Base interactions energy: -217.536 where: short stacking energy: -153.863 Base-Backbone interact. energy: -2.301 local terms energy: -315.199429 where: bonds (distance) C4'-P energy: -94.872 bonds (distance) P-C4' energy: -97.741 flat angles C4'-P-C4' energy: -69.676 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: 4.907 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: 73 Temperature: 1.350000 Total energy: -609.610254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.610254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.610254 (E_RNA) where: Base-Base interactions energy: -262.698 where: short stacking energy: -174.743 Base-Backbone interact. energy: 2.553 local terms energy: -349.464780 where: bonds (distance) C4'-P energy: -96.816 bonds (distance) P-C4' energy: -102.012 flat angles C4'-P-C4' energy: -79.358 flat angles P-C4'-P energy: -62.698 tors. eta vs tors. theta energy: -8.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1703.416736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.416736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.416736 (E_RNA) where: Base-Base interactions energy: -1113.872 where: short stacking energy: -517.621 Base-Backbone interact. energy: -3.453 local terms energy: -586.091348 where: bonds (distance) C4'-P energy: -103.912 bonds (distance) P-C4' energy: -123.413 flat angles C4'-P-C4' energy: -129.806 flat angles P-C4'-P energy: -77.676 tors. eta vs tors. theta energy: -151.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1536.033103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.033103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.033103 (E_RNA) where: Base-Base interactions energy: -1004.325 where: short stacking energy: -486.629 Base-Backbone interact. energy: -7.620 local terms energy: -524.087565 where: bonds (distance) C4'-P energy: -95.891 bonds (distance) P-C4' energy: -97.237 flat angles C4'-P-C4' energy: -128.574 flat angles P-C4'-P energy: -79.194 tors. eta vs tors. theta energy: -123.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1434.379848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.379848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.379848 (E_RNA) where: Base-Base interactions energy: -933.127 where: short stacking energy: -407.610 Base-Backbone interact. energy: -1.757 local terms energy: -499.495600 where: bonds (distance) C4'-P energy: -101.775 bonds (distance) P-C4' energy: -107.802 flat angles C4'-P-C4' energy: -109.261 flat angles P-C4'-P energy: -72.914 tors. eta vs tors. theta energy: -107.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1432.617336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.617336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.617336 (E_RNA) where: Base-Base interactions energy: -949.345 where: short stacking energy: -426.679 Base-Backbone interact. energy: -1.308 local terms energy: -481.964789 where: bonds (distance) C4'-P energy: -106.091 bonds (distance) P-C4' energy: -105.788 flat angles C4'-P-C4' energy: -94.362 flat angles P-C4'-P energy: -80.387 tors. eta vs tors. theta energy: -95.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1291.937953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.937953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.937953 (E_RNA) where: Base-Base interactions energy: -833.014 where: short stacking energy: -379.216 Base-Backbone interact. energy: -1.077 local terms energy: -457.846796 where: bonds (distance) C4'-P energy: -97.333 bonds (distance) P-C4' energy: -100.665 flat angles C4'-P-C4' energy: -109.084 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -74.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1085.278825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.278825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.278825 (E_RNA) where: Base-Base interactions energy: -659.207 where: short stacking energy: -303.741 Base-Backbone interact. energy: -1.932 local terms energy: -424.140613 where: bonds (distance) C4'-P energy: -98.376 bonds (distance) P-C4' energy: -102.813 flat angles C4'-P-C4' energy: -110.888 flat angles P-C4'-P energy: -57.745 tors. eta vs tors. theta energy: -54.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -912.942610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.942610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.942610 (E_RNA) where: Base-Base interactions energy: -512.945 where: short stacking energy: -259.405 Base-Backbone interact. energy: -1.111 local terms energy: -398.886451 where: bonds (distance) C4'-P energy: -106.259 bonds (distance) P-C4' energy: -98.943 flat angles C4'-P-C4' energy: -92.563 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -40.599 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: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -719.161425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.161425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.161425 (E_RNA) where: Base-Base interactions energy: -368.299 where: short stacking energy: -182.207 Base-Backbone interact. energy: -1.196 local terms energy: -349.666411 where: bonds (distance) C4'-P energy: -107.717 bonds (distance) P-C4' energy: -96.956 flat angles C4'-P-C4' energy: -87.733 flat angles P-C4'-P energy: -43.421 tors. eta vs tors. theta energy: -13.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -628.933544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.933544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.933544 (E_RNA) where: Base-Base interactions energy: -286.606 where: short stacking energy: -168.474 Base-Backbone interact. energy: -0.957 local terms energy: -341.370513 where: bonds (distance) C4'-P energy: -87.512 bonds (distance) P-C4' energy: -103.244 flat angles C4'-P-C4' energy: -78.031 flat angles P-C4'-P energy: -58.817 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -548.841734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.841734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.841734 (E_RNA) where: Base-Base interactions energy: -275.659 where: short stacking energy: -167.660 Base-Backbone interact. energy: 10.340 local terms energy: -283.522810 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -78.711 flat angles C4'-P-C4' energy: -63.690 flat angles P-C4'-P energy: -48.405 tors. eta vs tors. theta energy: 7.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1742.573697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.573697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.573697 (E_RNA) where: Base-Base interactions energy: -1149.085 where: short stacking energy: -526.012 Base-Backbone interact. energy: -4.764 local terms energy: -588.724767 where: bonds (distance) C4'-P energy: -107.798 bonds (distance) P-C4' energy: -101.848 flat angles C4'-P-C4' energy: -134.300 flat angles P-C4'-P energy: -92.920 tors. eta vs tors. theta energy: -151.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1554.650941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.650941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.650941 (E_RNA) where: Base-Base interactions energy: -1036.729 where: short stacking energy: -492.301 Base-Backbone interact. energy: -3.844 local terms energy: -514.078644 where: bonds (distance) C4'-P energy: -111.191 bonds (distance) P-C4' energy: -98.703 flat angles C4'-P-C4' energy: -106.162 flat angles P-C4'-P energy: -80.743 tors. eta vs tors. theta energy: -117.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1438.157747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.157747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.157747 (E_RNA) where: Base-Base interactions energy: -958.465 where: short stacking energy: -385.161 Base-Backbone interact. energy: -1.723 local terms energy: -477.969244 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -104.673 flat angles C4'-P-C4' energy: -110.960 flat angles P-C4'-P energy: -68.293 tors. eta vs tors. theta energy: -86.078 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: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1416.748129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.748129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.748129 (E_RNA) where: Base-Base interactions energy: -939.553 where: short stacking energy: -432.203 Base-Backbone interact. energy: 4.921 local terms energy: -482.115416 where: bonds (distance) C4'-P energy: -98.000 bonds (distance) P-C4' energy: -102.934 flat angles C4'-P-C4' energy: -101.326 flat angles P-C4'-P energy: -80.739 tors. eta vs tors. theta energy: -99.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1296.346961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.346961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.346961 (E_RNA) where: Base-Base interactions energy: -835.307 where: short stacking energy: -380.189 Base-Backbone interact. energy: -0.076 local terms energy: -460.963875 where: bonds (distance) C4'-P energy: -93.649 bonds (distance) P-C4' energy: -94.093 flat angles C4'-P-C4' energy: -108.714 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -94.064 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: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1073.414199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.414199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.414199 (E_RNA) where: Base-Base interactions energy: -648.467 where: short stacking energy: -317.947 Base-Backbone interact. energy: -1.002 local terms energy: -423.944767 where: bonds (distance) C4'-P energy: -92.736 bonds (distance) P-C4' energy: -113.333 flat angles C4'-P-C4' energy: -101.129 flat angles P-C4'-P energy: -55.252 tors. eta vs tors. theta energy: -61.495 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: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -932.867953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.867953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.867953 (E_RNA) where: Base-Base interactions energy: -532.325 where: short stacking energy: -279.403 Base-Backbone interact. energy: 0.307 local terms energy: -400.849374 where: bonds (distance) C4'-P energy: -81.891 bonds (distance) P-C4' energy: -91.171 flat angles C4'-P-C4' energy: -104.365 flat angles P-C4'-P energy: -59.750 tors. eta vs tors. theta energy: -63.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -651.833722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.833722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.833722 (E_RNA) where: Base-Base interactions energy: -323.911 where: short stacking energy: -174.305 Base-Backbone interact. energy: 3.914 local terms energy: -331.837144 where: bonds (distance) C4'-P energy: -95.653 bonds (distance) P-C4' energy: -86.471 flat angles C4'-P-C4' energy: -92.641 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: -8.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -681.956337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.956337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.956337 (E_RNA) where: Base-Base interactions energy: -333.879 where: short stacking energy: -201.820 Base-Backbone interact. energy: 1.191 local terms energy: -349.268459 where: bonds (distance) C4'-P energy: -103.803 bonds (distance) P-C4' energy: -100.430 flat angles C4'-P-C4' energy: -87.994 flat angles P-C4'-P energy: -43.477 tors. eta vs tors. theta energy: -13.564 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: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -520.394674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.394674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.394674 (E_RNA) where: Base-Base interactions energy: -252.706 where: short stacking energy: -179.932 Base-Backbone interact. energy: 5.570 local terms energy: -273.258545 where: bonds (distance) C4'-P energy: -86.883 bonds (distance) P-C4' energy: -99.876 flat angles C4'-P-C4' energy: -60.009 flat angles P-C4'-P energy: -36.033 tors. eta vs tors. theta energy: 9.542 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: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1700.389332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.389332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.389332 (E_RNA) where: Base-Base interactions energy: -1112.753 where: short stacking energy: -537.417 Base-Backbone interact. energy: -3.467 local terms energy: -584.169171 where: bonds (distance) C4'-P energy: -108.503 bonds (distance) P-C4' energy: -116.127 flat angles C4'-P-C4' energy: -122.149 flat angles P-C4'-P energy: -82.206 tors. eta vs tors. theta energy: -155.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1583.897437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.897437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.897437 (E_RNA) where: Base-Base interactions energy: -1036.501 where: short stacking energy: -472.506 Base-Backbone interact. energy: -2.699 local terms energy: -544.697360 where: bonds (distance) C4'-P energy: -92.742 bonds (distance) P-C4' energy: -118.434 flat angles C4'-P-C4' energy: -125.246 flat angles P-C4'-P energy: -88.670 tors. eta vs tors. theta energy: -119.605 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: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1484.198425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.198425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.198425 (E_RNA) where: Base-Base interactions energy: -983.533 where: short stacking energy: -436.455 Base-Backbone interact. energy: -4.510 local terms energy: -496.156148 where: bonds (distance) C4'-P energy: -110.961 bonds (distance) P-C4' energy: -102.820 flat angles C4'-P-C4' energy: -101.324 flat angles P-C4'-P energy: -78.044 tors. eta vs tors. theta energy: -103.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1370.189971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.189971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.189971 (E_RNA) where: Base-Base interactions energy: -926.323 where: short stacking energy: -426.471 Base-Backbone interact. energy: 6.646 local terms energy: -450.512965 where: bonds (distance) C4'-P energy: -87.723 bonds (distance) P-C4' energy: -77.870 flat angles C4'-P-C4' energy: -115.122 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -99.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1325.739150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.739150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.739150 (E_RNA) where: Base-Base interactions energy: -851.528 where: short stacking energy: -395.244 Base-Backbone interact. energy: -0.832 local terms energy: -473.380120 where: bonds (distance) C4'-P energy: -94.383 bonds (distance) P-C4' energy: -110.232 flat angles C4'-P-C4' energy: -103.895 flat angles P-C4'-P energy: -68.639 tors. eta vs tors. theta energy: -96.230 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: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1095.455282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.455282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.455282 (E_RNA) where: Base-Base interactions energy: -674.641 where: short stacking energy: -297.634 Base-Backbone interact. energy: 0.588 local terms energy: -421.402921 where: bonds (distance) C4'-P energy: -103.840 bonds (distance) P-C4' energy: -90.075 flat angles C4'-P-C4' energy: -87.874 flat angles P-C4'-P energy: -71.812 tors. eta vs tors. theta energy: -67.802 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -890.669747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.669747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.669747 (E_RNA) where: Base-Base interactions energy: -511.902 where: short stacking energy: -277.019 Base-Backbone interact. energy: 1.176 local terms energy: -379.943293 where: bonds (distance) C4'-P energy: -101.811 bonds (distance) P-C4' energy: -90.085 flat angles C4'-P-C4' energy: -89.571 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: -37.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -637.573060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.573060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.573060 (E_RNA) where: Base-Base interactions energy: -300.947 where: short stacking energy: -173.703 Base-Backbone interact. energy: -1.149 local terms energy: -335.476366 where: bonds (distance) C4'-P energy: -82.087 bonds (distance) P-C4' energy: -106.085 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -57.442 tors. eta vs tors. theta energy: 9.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -615.571405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.571405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.571405 (E_RNA) where: Base-Base interactions energy: -310.123 where: short stacking energy: -178.087 Base-Backbone interact. energy: 2.181 local terms energy: -307.629494 where: bonds (distance) C4'-P energy: -88.823 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -96.397 flat angles P-C4'-P energy: -43.906 tors. eta vs tors. theta energy: 5.466 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: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -528.176419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.176419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.176419 (E_RNA) where: Base-Base interactions energy: -249.361 where: short stacking energy: -152.176 Base-Backbone interact. energy: -3.045 local terms energy: -275.770072 where: bonds (distance) C4'-P energy: -86.748 bonds (distance) P-C4' energy: -84.524 flat angles C4'-P-C4' energy: -84.122 flat angles P-C4'-P energy: -40.331 tors. eta vs tors. theta energy: 19.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1719.309717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.309717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.309717 (E_RNA) where: Base-Base interactions energy: -1149.862 where: short stacking energy: -534.912 Base-Backbone interact. energy: -2.543 local terms energy: -566.904994 where: bonds (distance) C4'-P energy: -110.403 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -127.510 flat angles P-C4'-P energy: -67.724 tors. eta vs tors. theta energy: -157.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1511.118838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.118838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.118838 (E_RNA) where: Base-Base interactions energy: -988.326 where: short stacking energy: -464.905 Base-Backbone interact. energy: -2.895 local terms energy: -519.897285 where: bonds (distance) C4'-P energy: -101.234 bonds (distance) P-C4' energy: -97.589 flat angles C4'-P-C4' energy: -123.849 flat angles P-C4'-P energy: -81.318 tors. eta vs tors. theta energy: -115.908 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: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1525.508719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.508719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.508719 (E_RNA) where: Base-Base interactions energy: -1011.317 where: short stacking energy: -437.756 Base-Backbone interact. energy: -1.421 local terms energy: -512.771093 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -101.195 flat angles C4'-P-C4' energy: -126.148 flat angles P-C4'-P energy: -74.984 tors. eta vs tors. theta energy: -118.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1344.307079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.307079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.307079 (E_RNA) where: Base-Base interactions energy: -873.752 where: short stacking energy: -417.591 Base-Backbone interact. energy: -2.535 local terms energy: -468.020491 where: bonds (distance) C4'-P energy: -92.117 bonds (distance) P-C4' energy: -94.990 flat angles C4'-P-C4' energy: -105.136 flat angles P-C4'-P energy: -82.916 tors. eta vs tors. theta energy: -92.861 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: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1226.807341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.807341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.807341 (E_RNA) where: Base-Base interactions energy: -806.518 where: short stacking energy: -364.777 Base-Backbone interact. energy: 0.071 local terms energy: -420.359687 where: bonds (distance) C4'-P energy: -84.374 bonds (distance) P-C4' energy: -94.215 flat angles C4'-P-C4' energy: -96.172 flat angles P-C4'-P energy: -73.271 tors. eta vs tors. theta energy: -72.327 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: 77 Temperature: 1.150000 Total energy: -1021.320222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.320222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.320222 (E_RNA) where: Base-Base interactions energy: -618.661 where: short stacking energy: -288.030 Base-Backbone interact. energy: -2.662 local terms energy: -399.997730 where: bonds (distance) C4'-P energy: -81.303 bonds (distance) P-C4' energy: -93.686 flat angles C4'-P-C4' energy: -102.666 flat angles P-C4'-P energy: -66.583 tors. eta vs tors. theta energy: -55.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -908.517627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.517627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.517627 (E_RNA) where: Base-Base interactions energy: -531.970 where: short stacking energy: -286.104 Base-Backbone interact. energy: -0.809 local terms energy: -375.738808 where: bonds (distance) C4'-P energy: -85.189 bonds (distance) P-C4' energy: -101.069 flat angles C4'-P-C4' energy: -85.637 flat angles P-C4'-P energy: -52.619 tors. eta vs tors. theta energy: -51.226 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: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -658.955858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.955858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.955858 (E_RNA) where: Base-Base interactions energy: -331.999 where: short stacking energy: -196.503 Base-Backbone interact. energy: -2.102 local terms energy: -324.854883 where: bonds (distance) C4'-P energy: -88.810 bonds (distance) P-C4' energy: -108.320 flat angles C4'-P-C4' energy: -82.566 flat angles P-C4'-P energy: -39.541 tors. eta vs tors. theta energy: -5.618 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: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -596.572099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.572099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.572099 (E_RNA) where: Base-Base interactions energy: -275.007 where: short stacking energy: -170.288 Base-Backbone interact. energy: -0.200 local terms energy: -321.365088 where: bonds (distance) C4'-P energy: -93.024 bonds (distance) P-C4' energy: -96.585 flat angles C4'-P-C4' energy: -85.406 flat angles P-C4'-P energy: -49.463 tors. eta vs tors. theta energy: 3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -535.538231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.538231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.538231 (E_RNA) where: Base-Base interactions energy: -237.921 where: short stacking energy: -135.553 Base-Backbone interact. energy: -0.811 local terms energy: -296.806751 where: bonds (distance) C4'-P energy: -91.286 bonds (distance) P-C4' energy: -89.654 flat angles C4'-P-C4' energy: -64.683 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: 3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1706.754248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.754248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.754248 (E_RNA) where: Base-Base interactions energy: -1140.335 where: short stacking energy: -524.317 Base-Backbone interact. energy: -0.572 local terms energy: -565.846997 where: bonds (distance) C4'-P energy: -114.430 bonds (distance) P-C4' energy: -100.206 flat angles C4'-P-C4' energy: -120.343 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -153.986 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: 78 Temperature: 0.950000 Total energy: -1547.695877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.695877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.695877 (E_RNA) where: Base-Base interactions energy: -990.405 where: short stacking energy: -460.646 Base-Backbone interact. energy: -6.676 local terms energy: -550.614431 where: bonds (distance) C4'-P energy: -101.742 bonds (distance) P-C4' energy: -114.102 flat angles C4'-P-C4' energy: -121.047 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -120.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1526.064837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.064837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.064837 (E_RNA) where: Base-Base interactions energy: -1027.081 where: short stacking energy: -429.463 Base-Backbone interact. energy: -3.896 local terms energy: -495.088363 where: bonds (distance) C4'-P energy: -103.896 bonds (distance) P-C4' energy: -99.356 flat angles C4'-P-C4' energy: -116.970 flat angles P-C4'-P energy: -63.254 tors. eta vs tors. theta energy: -111.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1352.352759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.352759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.352759 (E_RNA) where: Base-Base interactions energy: -865.912 where: short stacking energy: -413.397 Base-Backbone interact. energy: -1.473 local terms energy: -484.967424 where: bonds (distance) C4'-P energy: -83.918 bonds (distance) P-C4' energy: -108.692 flat angles C4'-P-C4' energy: -117.787 flat angles P-C4'-P energy: -77.684 tors. eta vs tors. theta energy: -96.886 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: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1247.506785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.506785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.506785 (E_RNA) where: Base-Base interactions energy: -792.395 where: short stacking energy: -348.135 Base-Backbone interact. energy: -0.892 local terms energy: -454.219923 where: bonds (distance) C4'-P energy: -105.579 bonds (distance) P-C4' energy: -97.614 flat angles C4'-P-C4' energy: -100.829 flat angles P-C4'-P energy: -76.835 tors. eta vs tors. theta energy: -73.363 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: 78 Temperature: 1.150000 Total energy: -1005.716964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.716964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.716964 (E_RNA) where: Base-Base interactions energy: -614.065 where: short stacking energy: -330.334 Base-Backbone interact. energy: 2.019 local terms energy: -393.670993 where: bonds (distance) C4'-P energy: -87.138 bonds (distance) P-C4' energy: -100.220 flat angles C4'-P-C4' energy: -93.357 flat angles P-C4'-P energy: -58.155 tors. eta vs tors. theta energy: -54.801 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: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -931.265844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.265844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.265844 (E_RNA) where: Base-Base interactions energy: -535.856 where: short stacking energy: -281.629 Base-Backbone interact. energy: 0.636 local terms energy: -396.045318 where: bonds (distance) C4'-P energy: -87.294 bonds (distance) P-C4' energy: -89.406 flat angles C4'-P-C4' energy: -104.930 flat angles P-C4'-P energy: -57.628 tors. eta vs tors. theta energy: -56.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -701.718183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.718183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.718183 (E_RNA) where: Base-Base interactions energy: -362.212 where: short stacking energy: -184.356 Base-Backbone interact. energy: 2.705 local terms energy: -342.211085 where: bonds (distance) C4'-P energy: -101.002 bonds (distance) P-C4' energy: -103.034 flat angles C4'-P-C4' energy: -84.396 flat angles P-C4'-P energy: -52.482 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -591.953173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.953173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.953173 (E_RNA) where: Base-Base interactions energy: -289.529 where: short stacking energy: -185.805 Base-Backbone interact. energy: -0.862 local terms energy: -301.562719 where: bonds (distance) C4'-P energy: -76.138 bonds (distance) P-C4' energy: -89.149 flat angles C4'-P-C4' energy: -66.128 flat angles P-C4'-P energy: -62.797 tors. eta vs tors. theta energy: -7.352 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: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -535.872472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.872472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.872472 (E_RNA) where: Base-Base interactions energy: -252.227 where: short stacking energy: -172.211 Base-Backbone interact. energy: -1.837 local terms energy: -281.808138 where: bonds (distance) C4'-P energy: -102.957 bonds (distance) P-C4' energy: -67.948 flat angles C4'-P-C4' energy: -64.469 flat angles P-C4'-P energy: -45.040 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1740.603951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.603951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.603951 (E_RNA) where: Base-Base interactions energy: -1167.975 where: short stacking energy: -550.833 Base-Backbone interact. energy: -1.198 local terms energy: -571.431025 where: bonds (distance) C4'-P energy: -96.415 bonds (distance) P-C4' energy: -100.029 flat angles C4'-P-C4' energy: -132.774 flat angles P-C4'-P energy: -83.469 tors. eta vs tors. theta energy: -158.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1559.161490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.161490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.161490 (E_RNA) where: Base-Base interactions energy: -1034.255 where: short stacking energy: -467.616 Base-Backbone interact. energy: -4.279 local terms energy: -520.626882 where: bonds (distance) C4'-P energy: -107.621 bonds (distance) P-C4' energy: -106.940 flat angles C4'-P-C4' energy: -114.098 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -111.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1488.437977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.437977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.437977 (E_RNA) where: Base-Base interactions energy: -977.319 where: short stacking energy: -447.798 Base-Backbone interact. energy: -1.888 local terms energy: -509.230531 where: bonds (distance) C4'-P energy: -93.559 bonds (distance) P-C4' energy: -94.341 flat angles C4'-P-C4' energy: -124.630 flat angles P-C4'-P energy: -77.694 tors. eta vs tors. theta energy: -119.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1353.612804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.612804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.612804 (E_RNA) where: Base-Base interactions energy: -867.345 where: short stacking energy: -407.732 Base-Backbone interact. energy: -0.282 local terms energy: -485.985143 where: bonds (distance) C4'-P energy: -99.038 bonds (distance) P-C4' energy: -105.800 flat angles C4'-P-C4' energy: -108.861 flat angles P-C4'-P energy: -63.623 tors. eta vs tors. theta energy: -108.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1244.130097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.130097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.130097 (E_RNA) where: Base-Base interactions energy: -802.536 where: short stacking energy: -391.029 Base-Backbone interact. energy: -3.717 local terms energy: -437.877004 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -115.532 flat angles C4'-P-C4' energy: -115.010 flat angles P-C4'-P energy: -50.424 tors. eta vs tors. theta energy: -70.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1017.140494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.140494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.140494 (E_RNA) where: Base-Base interactions energy: -599.003 where: short stacking energy: -306.363 Base-Backbone interact. energy: 0.832 local terms energy: -418.968805 where: bonds (distance) C4'-P energy: -113.571 bonds (distance) P-C4' energy: -95.960 flat angles C4'-P-C4' energy: -101.197 flat angles P-C4'-P energy: -47.414 tors. eta vs tors. theta energy: -60.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -898.528482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.528482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.528482 (E_RNA) where: Base-Base interactions energy: -512.014 where: short stacking energy: -267.141 Base-Backbone interact. energy: 0.476 local terms energy: -386.989580 where: bonds (distance) C4'-P energy: -103.910 bonds (distance) P-C4' energy: -90.596 flat angles C4'-P-C4' energy: -87.664 flat angles P-C4'-P energy: -55.062 tors. eta vs tors. theta energy: -49.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -741.087674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.087674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.087674 (E_RNA) where: Base-Base interactions energy: -406.519 where: short stacking energy: -242.417 Base-Backbone interact. energy: 0.566 local terms energy: -335.134278 where: bonds (distance) C4'-P energy: -85.021 bonds (distance) P-C4' energy: -105.035 flat angles C4'-P-C4' energy: -87.931 flat angles P-C4'-P energy: -45.799 tors. eta vs tors. theta energy: -11.349 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: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -595.497547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.497547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.497547 (E_RNA) where: Base-Base interactions energy: -288.151 where: short stacking energy: -177.201 Base-Backbone interact. energy: -2.961 local terms energy: -304.385680 where: bonds (distance) C4'-P energy: -80.411 bonds (distance) P-C4' energy: -71.211 flat angles C4'-P-C4' energy: -83.911 flat angles P-C4'-P energy: -48.748 tors. eta vs tors. theta energy: -20.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -577.186092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.186092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.186092 (E_RNA) where: Base-Base interactions energy: -300.628 where: short stacking energy: -156.849 Base-Backbone interact. energy: 0.453 local terms energy: -277.010984 where: bonds (distance) C4'-P energy: -80.382 bonds (distance) P-C4' energy: -79.263 flat angles C4'-P-C4' energy: -84.302 flat angles P-C4'-P energy: -41.817 tors. eta vs tors. theta energy: 8.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1716.390736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.390736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.390736 (E_RNA) where: Base-Base interactions energy: -1129.015 where: short stacking energy: -520.769 Base-Backbone interact. energy: 0.156 local terms energy: -587.531660 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -117.809 flat angles C4'-P-C4' energy: -121.266 flat angles P-C4'-P energy: -82.554 tors. eta vs tors. theta energy: -158.103 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: 80 Temperature: 0.950000 Total energy: -1558.896901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.896901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.896901 (E_RNA) where: Base-Base interactions energy: -1045.034 where: short stacking energy: -473.220 Base-Backbone interact. energy: 0.507 local terms energy: -514.369345 where: bonds (distance) C4'-P energy: -106.761 bonds (distance) P-C4' energy: -101.424 flat angles C4'-P-C4' energy: -116.303 flat angles P-C4'-P energy: -82.102 tors. eta vs tors. theta energy: -107.779 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: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1473.613560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.613560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.613560 (E_RNA) where: Base-Base interactions energy: -962.078 where: short stacking energy: -412.823 Base-Backbone interact. energy: -3.158 local terms energy: -508.377840 where: bonds (distance) C4'-P energy: -104.603 bonds (distance) P-C4' energy: -116.172 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -63.640 tors. eta vs tors. theta energy: -110.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1343.858425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.858425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.858425 (E_RNA) where: Base-Base interactions energy: -847.732 where: short stacking energy: -385.737 Base-Backbone interact. energy: -0.757 local terms energy: -495.369898 where: bonds (distance) C4'-P energy: -110.179 bonds (distance) P-C4' energy: -112.093 flat angles C4'-P-C4' energy: -111.328 flat angles P-C4'-P energy: -67.269 tors. eta vs tors. theta energy: -94.502 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: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1224.570542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.570542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.570542 (E_RNA) where: Base-Base interactions energy: -781.583 where: short stacking energy: -329.478 Base-Backbone interact. energy: -2.228 local terms energy: -440.759137 where: bonds (distance) C4'-P energy: -99.458 bonds (distance) P-C4' energy: -105.659 flat angles C4'-P-C4' energy: -96.581 flat angles P-C4'-P energy: -66.812 tors. eta vs tors. theta energy: -72.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1027.214875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.214875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.214875 (E_RNA) where: Base-Base interactions energy: -629.744 where: short stacking energy: -290.049 Base-Backbone interact. energy: -1.165 local terms energy: -396.305997 where: bonds (distance) C4'-P energy: -87.007 bonds (distance) P-C4' energy: -105.774 flat angles C4'-P-C4' energy: -102.779 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -45.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -879.921434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.921434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.921434 (E_RNA) where: Base-Base interactions energy: -499.127 where: short stacking energy: -263.468 Base-Backbone interact. energy: -2.874 local terms energy: -377.921181 where: bonds (distance) C4'-P energy: -86.884 bonds (distance) P-C4' energy: -88.009 flat angles C4'-P-C4' energy: -102.052 flat angles P-C4'-P energy: -64.011 tors. eta vs tors. theta energy: -36.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -720.251130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.251130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.251130 (E_RNA) where: Base-Base interactions energy: -359.444 where: short stacking energy: -219.863 Base-Backbone interact. energy: -0.508 local terms energy: -360.298791 where: bonds (distance) C4'-P energy: -92.608 bonds (distance) P-C4' energy: -105.802 flat angles C4'-P-C4' energy: -68.246 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -32.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -643.342901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.342901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.342901 (E_RNA) where: Base-Base interactions energy: -321.642 where: short stacking energy: -183.100 Base-Backbone interact. energy: 0.826 local terms energy: -322.526632 where: bonds (distance) C4'-P energy: -89.005 bonds (distance) P-C4' energy: -97.652 flat angles C4'-P-C4' energy: -78.690 flat angles P-C4'-P energy: -47.053 tors. eta vs tors. theta energy: -10.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -541.267986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.267986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.267986 (E_RNA) where: Base-Base interactions energy: -233.026 where: short stacking energy: -144.282 Base-Backbone interact. energy: -3.020 local terms energy: -305.222667 where: bonds (distance) C4'-P energy: -96.434 bonds (distance) P-C4' energy: -96.003 flat angles C4'-P-C4' energy: -65.821 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -3.335 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: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1711.933558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.933558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.933558 (E_RNA) where: Base-Base interactions energy: -1146.611 where: short stacking energy: -545.226 Base-Backbone interact. energy: -5.041 local terms energy: -560.282075 where: bonds (distance) C4'-P energy: -106.486 bonds (distance) P-C4' energy: -98.384 flat angles C4'-P-C4' energy: -121.846 flat angles P-C4'-P energy: -81.687 tors. eta vs tors. theta energy: -151.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1561.137581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.137581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.137581 (E_RNA) where: Base-Base interactions energy: -1012.130 where: short stacking energy: -455.178 Base-Backbone interact. energy: -2.722 local terms energy: -546.285399 where: bonds (distance) C4'-P energy: -111.203 bonds (distance) P-C4' energy: -115.264 flat angles C4'-P-C4' energy: -115.514 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: -121.311 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: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1483.403012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.403012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.403012 (E_RNA) where: Base-Base interactions energy: -989.375 where: short stacking energy: -421.745 Base-Backbone interact. energy: -5.624 local terms energy: -488.404009 where: bonds (distance) C4'-P energy: -99.329 bonds (distance) P-C4' energy: -103.787 flat angles C4'-P-C4' energy: -119.048 flat angles P-C4'-P energy: -65.603 tors. eta vs tors. theta energy: -100.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1363.185787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.185787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.185787 (E_RNA) where: Base-Base interactions energy: -882.332 where: short stacking energy: -425.045 Base-Backbone interact. energy: -1.460 local terms energy: -479.393300 where: bonds (distance) C4'-P energy: -85.444 bonds (distance) P-C4' energy: -105.591 flat angles C4'-P-C4' energy: -108.011 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: -101.471 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: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1186.841247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.841247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.841247 (E_RNA) where: Base-Base interactions energy: -753.259 where: short stacking energy: -316.014 Base-Backbone interact. energy: 0.807 local terms energy: -434.388752 where: bonds (distance) C4'-P energy: -107.386 bonds (distance) P-C4' energy: -101.030 flat angles C4'-P-C4' energy: -98.743 flat angles P-C4'-P energy: -65.697 tors. eta vs tors. theta energy: -61.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1032.753722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.753722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.753722 (E_RNA) where: Base-Base interactions energy: -615.802 where: short stacking energy: -312.029 Base-Backbone interact. energy: 2.608 local terms energy: -419.560058 where: bonds (distance) C4'-P energy: -78.893 bonds (distance) P-C4' energy: -104.122 flat angles C4'-P-C4' energy: -114.134 flat angles P-C4'-P energy: -61.087 tors. eta vs tors. theta energy: -61.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -926.533240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.533240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.533240 (E_RNA) where: Base-Base interactions energy: -531.952 where: short stacking energy: -260.906 Base-Backbone interact. energy: -1.907 local terms energy: -392.674043 where: bonds (distance) C4'-P energy: -89.103 bonds (distance) P-C4' energy: -89.970 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -52.299 tors. eta vs tors. theta energy: -51.019 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: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -776.268654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.268654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.268654 (E_RNA) where: Base-Base interactions energy: -401.131 where: short stacking energy: -223.172 Base-Backbone interact. energy: 2.968 local terms energy: -378.105140 where: bonds (distance) C4'-P energy: -93.793 bonds (distance) P-C4' energy: -103.219 flat angles C4'-P-C4' energy: -84.134 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: -32.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -601.958232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.958232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.958232 (E_RNA) where: Base-Base interactions energy: -294.757 where: short stacking energy: -162.763 Base-Backbone interact. energy: 1.383 local terms energy: -308.584490 where: bonds (distance) C4'-P energy: -88.857 bonds (distance) P-C4' energy: -95.640 flat angles C4'-P-C4' energy: -70.388 flat angles P-C4'-P energy: -50.607 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -501.232446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.232446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.232446 (E_RNA) where: Base-Base interactions energy: -236.370 where: short stacking energy: -132.461 Base-Backbone interact. energy: 1.275 local terms energy: -266.138205 where: bonds (distance) C4'-P energy: -83.404 bonds (distance) P-C4' energy: -104.173 flat angles C4'-P-C4' energy: -69.634 flat angles P-C4'-P energy: -28.783 tors. eta vs tors. theta energy: 19.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1725.052706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.052706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.052706 (E_RNA) where: Base-Base interactions energy: -1150.225 where: short stacking energy: -510.990 Base-Backbone interact. energy: -3.249 local terms energy: -571.578852 where: bonds (distance) C4'-P energy: -107.742 bonds (distance) P-C4' energy: -108.524 flat angles C4'-P-C4' energy: -122.663 flat angles P-C4'-P energy: -79.985 tors. eta vs tors. theta energy: -152.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1566.448762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.448762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.448762 (E_RNA) where: Base-Base interactions energy: -1048.588 where: short stacking energy: -464.955 Base-Backbone interact. energy: 1.339 local terms energy: -519.199897 where: bonds (distance) C4'-P energy: -104.937 bonds (distance) P-C4' energy: -115.711 flat angles C4'-P-C4' energy: -111.978 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -118.408 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: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1552.208336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.208336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.208336 (E_RNA) where: Base-Base interactions energy: -1048.603 where: short stacking energy: -476.030 Base-Backbone interact. energy: -1.992 local terms energy: -501.614134 where: bonds (distance) C4'-P energy: -102.510 bonds (distance) P-C4' energy: -104.398 flat angles C4'-P-C4' energy: -112.942 flat angles P-C4'-P energy: -64.735 tors. eta vs tors. theta energy: -117.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1366.750490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.750490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.750490 (E_RNA) where: Base-Base interactions energy: -870.797 where: short stacking energy: -420.972 Base-Backbone interact. energy: -2.117 local terms energy: -493.836288 where: bonds (distance) C4'-P energy: -99.266 bonds (distance) P-C4' energy: -105.245 flat angles C4'-P-C4' energy: -113.061 flat angles P-C4'-P energy: -79.299 tors. eta vs tors. theta energy: -96.965 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: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1150.706367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.706367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.706367 (E_RNA) where: Base-Base interactions energy: -691.618 where: short stacking energy: -338.381 Base-Backbone interact. energy: -4.516 local terms energy: -454.572762 where: bonds (distance) C4'-P energy: -86.027 bonds (distance) P-C4' energy: -117.057 flat angles C4'-P-C4' energy: -105.925 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -79.178 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: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1042.683161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.683161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.683161 (E_RNA) where: Base-Base interactions energy: -627.463 where: short stacking energy: -305.778 Base-Backbone interact. energy: 1.265 local terms energy: -416.485024 where: bonds (distance) C4'-P energy: -92.792 bonds (distance) P-C4' energy: -97.818 flat angles C4'-P-C4' energy: -98.926 flat angles P-C4'-P energy: -62.747 tors. eta vs tors. theta energy: -64.202 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: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -880.621772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.621772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.621772 (E_RNA) where: Base-Base interactions energy: -486.977 where: short stacking energy: -265.115 Base-Backbone interact. energy: 3.470 local terms energy: -397.114820 where: bonds (distance) C4'-P energy: -98.329 bonds (distance) P-C4' energy: -111.155 flat angles C4'-P-C4' energy: -92.625 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -38.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -773.490238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.490238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.490238 (E_RNA) where: Base-Base interactions energy: -428.611 where: short stacking energy: -243.768 Base-Backbone interact. energy: -2.226 local terms energy: -342.653131 where: bonds (distance) C4'-P energy: -95.643 bonds (distance) P-C4' energy: -79.868 flat angles C4'-P-C4' energy: -82.536 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -35.098 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: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -581.107856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.107856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.107856 (E_RNA) where: Base-Base interactions energy: -263.246 where: short stacking energy: -160.635 Base-Backbone interact. energy: 0.383 local terms energy: -318.244767 where: bonds (distance) C4'-P energy: -94.182 bonds (distance) P-C4' energy: -84.654 flat angles C4'-P-C4' energy: -93.883 flat angles P-C4'-P energy: -52.477 tors. eta vs tors. theta energy: 6.951 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: 82 Temperature: 1.350000 Total energy: -577.440114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.440114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.440114 (E_RNA) where: Base-Base interactions energy: -303.766 where: short stacking energy: -173.752 Base-Backbone interact. energy: 3.417 local terms energy: -277.090865 where: bonds (distance) C4'-P energy: -95.706 bonds (distance) P-C4' energy: -80.424 flat angles C4'-P-C4' energy: -70.156 flat angles P-C4'-P energy: -35.650 tors. eta vs tors. theta energy: 4.845 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: 83 Temperature: 0.900000 Total energy: -1715.234139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.234139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.234139 (E_RNA) where: Base-Base interactions energy: -1143.235 where: short stacking energy: -527.821 Base-Backbone interact. energy: -4.595 local terms energy: -567.404293 where: bonds (distance) C4'-P energy: -116.237 bonds (distance) P-C4' energy: -117.350 flat angles C4'-P-C4' energy: -124.675 flat angles P-C4'-P energy: -73.012 tors. eta vs tors. theta energy: -136.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1577.678439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.678439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.678439 (E_RNA) where: Base-Base interactions energy: -1083.429 where: short stacking energy: -460.564 Base-Backbone interact. energy: -1.244 local terms energy: -493.005042 where: bonds (distance) C4'-P energy: -96.933 bonds (distance) P-C4' energy: -92.435 flat angles C4'-P-C4' energy: -113.484 flat angles P-C4'-P energy: -76.433 tors. eta vs tors. theta energy: -113.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1508.085265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.085265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.085265 (E_RNA) where: Base-Base interactions energy: -986.934 where: short stacking energy: -463.272 Base-Backbone interact. energy: -1.021 local terms energy: -520.129968 where: bonds (distance) C4'-P energy: -108.756 bonds (distance) P-C4' energy: -104.050 flat angles C4'-P-C4' energy: -100.277 flat angles P-C4'-P energy: -80.313 tors. eta vs tors. theta energy: -126.734 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: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1381.528725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.528725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.528725 (E_RNA) where: Base-Base interactions energy: -883.693 where: short stacking energy: -416.319 Base-Backbone interact. energy: 0.440 local terms energy: -498.275595 where: bonds (distance) C4'-P energy: -93.494 bonds (distance) P-C4' energy: -107.228 flat angles C4'-P-C4' energy: -109.836 flat angles P-C4'-P energy: -81.407 tors. eta vs tors. theta energy: -106.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1146.149605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.149605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.149605 (E_RNA) where: Base-Base interactions energy: -730.094 where: short stacking energy: -339.978 Base-Backbone interact. energy: 5.304 local terms energy: -421.359830 where: bonds (distance) C4'-P energy: -82.147 bonds (distance) P-C4' energy: -94.234 flat angles C4'-P-C4' energy: -112.442 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -77.130 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: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1039.629538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.629538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.629538 (E_RNA) where: Base-Base interactions energy: -643.091 where: short stacking energy: -296.318 Base-Backbone interact. energy: 1.723 local terms energy: -398.262125 where: bonds (distance) C4'-P energy: -93.425 bonds (distance) P-C4' energy: -85.382 flat angles C4'-P-C4' energy: -101.138 flat angles P-C4'-P energy: -54.194 tors. eta vs tors. theta energy: -64.123 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: 83 Temperature: 1.200000 Total energy: -868.606073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.606073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.606073 (E_RNA) where: Base-Base interactions energy: -510.416 where: short stacking energy: -285.093 Base-Backbone interact. energy: -3.579 local terms energy: -354.611854 where: bonds (distance) C4'-P energy: -62.231 bonds (distance) P-C4' energy: -103.895 flat angles C4'-P-C4' energy: -104.628 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: -40.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -712.155480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.155480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.155480 (E_RNA) where: Base-Base interactions energy: -382.653 where: short stacking energy: -203.680 Base-Backbone interact. energy: 6.072 local terms energy: -335.574251 where: bonds (distance) C4'-P energy: -97.088 bonds (distance) P-C4' energy: -107.983 flat angles C4'-P-C4' energy: -70.730 flat angles P-C4'-P energy: -42.476 tors. eta vs tors. theta energy: -17.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -591.164009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.164009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.164009 (E_RNA) where: Base-Base interactions energy: -276.935 where: short stacking energy: -181.662 Base-Backbone interact. energy: 2.455 local terms energy: -316.684686 where: bonds (distance) C4'-P energy: -95.227 bonds (distance) P-C4' energy: -86.032 flat angles C4'-P-C4' energy: -84.674 flat angles P-C4'-P energy: -43.976 tors. eta vs tors. theta energy: -6.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -548.149294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.149294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.149294 (E_RNA) where: Base-Base interactions energy: -263.660 where: short stacking energy: -147.048 Base-Backbone interact. energy: 2.584 local terms energy: -287.073855 where: bonds (distance) C4'-P energy: -80.057 bonds (distance) P-C4' energy: -86.401 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: -4.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1718.461339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.461339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.461339 (E_RNA) where: Base-Base interactions energy: -1153.537 where: short stacking energy: -512.220 Base-Backbone interact. energy: -0.663 local terms energy: -564.261926 where: bonds (distance) C4'-P energy: -108.118 bonds (distance) P-C4' energy: -113.014 flat angles C4'-P-C4' energy: -114.638 flat angles P-C4'-P energy: -85.332 tors. eta vs tors. theta energy: -143.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1610.789161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.789161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.789161 (E_RNA) where: Base-Base interactions energy: -1071.160 where: short stacking energy: -477.864 Base-Backbone interact. energy: -3.261 local terms energy: -536.368193 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -113.098 flat angles C4'-P-C4' energy: -112.496 flat angles P-C4'-P energy: -65.977 tors. eta vs tors. theta energy: -132.686 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: 84 Temperature: 1.000000 Total energy: -1451.470693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.470693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.470693 (E_RNA) where: Base-Base interactions energy: -951.655 where: short stacking energy: -442.150 Base-Backbone interact. energy: -2.216 local terms energy: -497.599060 where: bonds (distance) C4'-P energy: -92.881 bonds (distance) P-C4' energy: -104.974 flat angles C4'-P-C4' energy: -112.064 flat angles P-C4'-P energy: -74.642 tors. eta vs tors. theta energy: -113.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1438.347919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.347919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.347919 (E_RNA) where: Base-Base interactions energy: -929.598 where: short stacking energy: -429.380 Base-Backbone interact. energy: -2.455 local terms energy: -506.294672 where: bonds (distance) C4'-P energy: -116.553 bonds (distance) P-C4' energy: -107.335 flat angles C4'-P-C4' energy: -99.859 flat angles P-C4'-P energy: -75.428 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: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1165.873842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.873842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.873842 (E_RNA) where: Base-Base interactions energy: -709.625 where: short stacking energy: -380.824 Base-Backbone interact. energy: 2.527 local terms energy: -458.775925 where: bonds (distance) C4'-P energy: -103.265 bonds (distance) P-C4' energy: -102.788 flat angles C4'-P-C4' energy: -99.751 flat angles P-C4'-P energy: -64.443 tors. eta vs tors. theta energy: -88.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1027.067940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.067940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.067940 (E_RNA) where: Base-Base interactions energy: -604.120 where: short stacking energy: -300.298 Base-Backbone interact. energy: -2.645 local terms energy: -420.302872 where: bonds (distance) C4'-P energy: -103.696 bonds (distance) P-C4' energy: -92.411 flat angles C4'-P-C4' energy: -110.421 flat angles P-C4'-P energy: -48.729 tors. eta vs tors. theta energy: -65.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -830.599023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.599023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.599023 (E_RNA) where: Base-Base interactions energy: -430.725 where: short stacking energy: -234.813 Base-Backbone interact. energy: 3.513 local terms energy: -403.387321 where: bonds (distance) C4'-P energy: -110.206 bonds (distance) P-C4' energy: -98.030 flat angles C4'-P-C4' energy: -105.877 flat angles P-C4'-P energy: -59.913 tors. eta vs tors. theta energy: -29.361 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: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -705.323483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.323483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.323483 (E_RNA) where: Base-Base interactions energy: -344.658 where: short stacking energy: -214.268 Base-Backbone interact. energy: 1.325 local terms energy: -361.990533 where: bonds (distance) C4'-P energy: -97.892 bonds (distance) P-C4' energy: -97.871 flat angles C4'-P-C4' energy: -73.041 flat angles P-C4'-P energy: -58.980 tors. eta vs tors. theta energy: -34.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -617.761483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.761483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.761483 (E_RNA) where: Base-Base interactions energy: -301.570 where: short stacking energy: -185.937 Base-Backbone interact. energy: 6.686 local terms energy: -322.877641 where: bonds (distance) C4'-P energy: -93.056 bonds (distance) P-C4' energy: -92.829 flat angles C4'-P-C4' energy: -84.824 flat angles P-C4'-P energy: -47.487 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -542.046506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.046506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.046506 (E_RNA) where: Base-Base interactions energy: -252.619 where: short stacking energy: -151.184 Base-Backbone interact. energy: -2.503 local terms energy: -286.923929 where: bonds (distance) C4'-P energy: -79.951 bonds (distance) P-C4' energy: -93.339 flat angles C4'-P-C4' energy: -77.499 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: 3.478 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: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1718.552903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.552903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.552903 (E_RNA) where: Base-Base interactions energy: -1156.765 where: short stacking energy: -513.798 Base-Backbone interact. energy: -3.993 local terms energy: -557.794287 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -101.482 flat angles C4'-P-C4' energy: -126.807 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -152.373 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: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1630.456766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.456766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.456766 (E_RNA) where: Base-Base interactions energy: -1112.676 where: short stacking energy: -476.706 Base-Backbone interact. energy: -3.351 local terms energy: -514.430068 where: bonds (distance) C4'-P energy: -101.022 bonds (distance) P-C4' energy: -102.730 flat angles C4'-P-C4' energy: -122.998 flat angles P-C4'-P energy: -72.911 tors. eta vs tors. theta energy: -114.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1474.978086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.978086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.978086 (E_RNA) where: Base-Base interactions energy: -933.576 where: short stacking energy: -438.086 Base-Backbone interact. energy: -3.709 local terms energy: -537.693227 where: bonds (distance) C4'-P energy: -110.965 bonds (distance) P-C4' energy: -102.909 flat angles C4'-P-C4' energy: -122.871 flat angles P-C4'-P energy: -81.227 tors. eta vs tors. theta energy: -119.722 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: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1372.152700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.152700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.152700 (E_RNA) where: Base-Base interactions energy: -879.905 where: short stacking energy: -401.688 Base-Backbone interact. energy: -3.275 local terms energy: -488.973024 where: bonds (distance) C4'-P energy: -92.567 bonds (distance) P-C4' energy: -101.962 flat angles C4'-P-C4' energy: -106.779 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -101.982 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: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1140.252884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.252884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.252884 (E_RNA) where: Base-Base interactions energy: -702.744 where: short stacking energy: -361.154 Base-Backbone interact. energy: 0.775 local terms energy: -438.283344 where: bonds (distance) C4'-P energy: -102.139 bonds (distance) P-C4' energy: -108.374 flat angles C4'-P-C4' energy: -91.315 flat angles P-C4'-P energy: -63.240 tors. eta vs tors. theta energy: -73.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1007.852308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.852308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.852308 (E_RNA) where: Base-Base interactions energy: -613.133 where: short stacking energy: -271.523 Base-Backbone interact. energy: -2.558 local terms energy: -392.161899 where: bonds (distance) C4'-P energy: -89.039 bonds (distance) P-C4' energy: -93.981 flat angles C4'-P-C4' energy: -89.490 flat angles P-C4'-P energy: -74.160 tors. eta vs tors. theta energy: -45.493 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: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -835.172445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.172445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.172445 (E_RNA) where: Base-Base interactions energy: -456.724 where: short stacking energy: -247.500 Base-Backbone interact. energy: -3.154 local terms energy: -375.293879 where: bonds (distance) C4'-P energy: -102.210 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -88.310 flat angles P-C4'-P energy: -59.734 tors. eta vs tors. theta energy: -34.679 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: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -733.462063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.462063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.462063 (E_RNA) where: Base-Base interactions energy: -387.869 where: short stacking energy: -190.061 Base-Backbone interact. energy: -1.427 local terms energy: -344.165788 where: bonds (distance) C4'-P energy: -98.796 bonds (distance) P-C4' energy: -101.458 flat angles C4'-P-C4' energy: -90.767 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -9.450 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: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -601.718843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.718843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.718843 (E_RNA) where: Base-Base interactions energy: -261.594 where: short stacking energy: -173.382 Base-Backbone interact. energy: -1.714 local terms energy: -338.411636 where: bonds (distance) C4'-P energy: -84.942 bonds (distance) P-C4' energy: -91.586 flat angles C4'-P-C4' energy: -87.561 flat angles P-C4'-P energy: -62.272 tors. eta vs tors. theta energy: -12.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -505.245073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.245073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.245073 (E_RNA) where: Base-Base interactions energy: -238.072 where: short stacking energy: -135.345 Base-Backbone interact. energy: 5.518 local terms energy: -272.691387 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -102.456 flat angles C4'-P-C4' energy: -70.414 flat angles P-C4'-P energy: -31.857 tors. eta vs tors. theta energy: 14.655 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: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1769.422177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.422177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.422177 (E_RNA) where: Base-Base interactions energy: -1176.437 where: short stacking energy: -550.218 Base-Backbone interact. energy: -3.812 local terms energy: -589.173234 where: bonds (distance) C4'-P energy: -110.978 bonds (distance) P-C4' energy: -113.117 flat angles C4'-P-C4' energy: -125.182 flat angles P-C4'-P energy: -88.475 tors. eta vs tors. theta energy: -151.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1640.858705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.858705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.858705 (E_RNA) where: Base-Base interactions energy: -1100.140 where: short stacking energy: -456.723 Base-Backbone interact. energy: -1.538 local terms energy: -539.180285 where: bonds (distance) C4'-P energy: -98.482 bonds (distance) P-C4' energy: -108.469 flat angles C4'-P-C4' energy: -115.076 flat angles P-C4'-P energy: -90.175 tors. eta vs tors. theta energy: -126.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1479.424761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.424761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.424761 (E_RNA) where: Base-Base interactions energy: -946.392 where: short stacking energy: -466.467 Base-Backbone interact. energy: -1.224 local terms energy: -531.808950 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -102.172 flat angles C4'-P-C4' energy: -117.452 flat angles P-C4'-P energy: -78.940 tors. eta vs tors. theta energy: -125.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1353.291974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.291974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.291974 (E_RNA) where: Base-Base interactions energy: -899.887 where: short stacking energy: -406.130 Base-Backbone interact. energy: -1.268 local terms energy: -452.136774 where: bonds (distance) C4'-P energy: -77.697 bonds (distance) P-C4' energy: -97.567 flat angles C4'-P-C4' energy: -107.479 flat angles P-C4'-P energy: -73.425 tors. eta vs tors. theta energy: -95.969 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: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1179.350627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.350627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.350627 (E_RNA) where: Base-Base interactions energy: -749.009 where: short stacking energy: -319.309 Base-Backbone interact. energy: -2.967 local terms energy: -427.374715 where: bonds (distance) C4'-P energy: -90.656 bonds (distance) P-C4' energy: -94.055 flat angles C4'-P-C4' energy: -107.057 flat angles P-C4'-P energy: -67.354 tors. eta vs tors. theta energy: -68.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -990.422797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.422797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.422797 (E_RNA) where: Base-Base interactions energy: -589.551 where: short stacking energy: -290.983 Base-Backbone interact. energy: -3.180 local terms energy: -397.691991 where: bonds (distance) C4'-P energy: -89.780 bonds (distance) P-C4' energy: -94.752 flat angles C4'-P-C4' energy: -102.878 flat angles P-C4'-P energy: -58.743 tors. eta vs tors. theta energy: -51.538 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: 86 Temperature: 1.200000 Total energy: -808.628168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.628168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.628168 (E_RNA) where: Base-Base interactions energy: -448.882 where: short stacking energy: -254.221 Base-Backbone interact. energy: -0.512 local terms energy: -359.234766 where: bonds (distance) C4'-P energy: -90.327 bonds (distance) P-C4' energy: -84.961 flat angles C4'-P-C4' energy: -95.610 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -41.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -706.235230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.235230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.235230 (E_RNA) where: Base-Base interactions energy: -364.660 where: short stacking energy: -200.112 Base-Backbone interact. energy: -0.031 local terms energy: -341.543868 where: bonds (distance) C4'-P energy: -97.369 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -80.080 flat angles P-C4'-P energy: -61.458 tors. eta vs tors. theta energy: -19.344 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: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -631.295046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.295046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.295046 (E_RNA) where: Base-Base interactions energy: -300.502 where: short stacking energy: -188.968 Base-Backbone interact. energy: -0.209 local terms energy: -330.583906 where: bonds (distance) C4'-P energy: -83.880 bonds (distance) P-C4' energy: -90.529 flat angles C4'-P-C4' energy: -74.600 flat angles P-C4'-P energy: -65.915 tors. eta vs tors. theta energy: -15.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -552.653227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.653227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.653227 (E_RNA) where: Base-Base interactions energy: -270.074 where: short stacking energy: -161.984 Base-Backbone interact. energy: 0.223 local terms energy: -282.802332 where: bonds (distance) C4'-P energy: -81.891 bonds (distance) P-C4' energy: -88.103 flat angles C4'-P-C4' energy: -88.308 flat angles P-C4'-P energy: -29.181 tors. eta vs tors. theta energy: 4.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1739.458186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.458186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.458186 (E_RNA) where: Base-Base interactions energy: -1159.645 where: short stacking energy: -547.082 Base-Backbone interact. energy: -2.494 local terms energy: -577.319870 where: bonds (distance) C4'-P energy: -108.561 bonds (distance) P-C4' energy: -112.866 flat angles C4'-P-C4' energy: -120.671 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: -157.038 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: 2, replica: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1639.338682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.338682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.338682 (E_RNA) where: Base-Base interactions energy: -1115.064 where: short stacking energy: -474.126 Base-Backbone interact. energy: -2.443 local terms energy: -521.831765 where: bonds (distance) C4'-P energy: -108.424 bonds (distance) P-C4' energy: -93.610 flat angles C4'-P-C4' energy: -111.698 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -128.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1491.050762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.050762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.050762 (E_RNA) where: Base-Base interactions energy: -971.300 where: short stacking energy: -475.134 Base-Backbone interact. energy: 1.750 local terms energy: -521.500129 where: bonds (distance) C4'-P energy: -104.639 bonds (distance) P-C4' energy: -102.846 flat angles C4'-P-C4' energy: -117.780 flat angles P-C4'-P energy: -74.541 tors. eta vs tors. theta energy: -121.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1362.326143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.326143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.326143 (E_RNA) where: Base-Base interactions energy: -872.094 where: short stacking energy: -396.529 Base-Backbone interact. energy: 2.207 local terms energy: -492.439360 where: bonds (distance) C4'-P energy: -94.826 bonds (distance) P-C4' energy: -98.364 flat angles C4'-P-C4' energy: -111.797 flat angles P-C4'-P energy: -77.918 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: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1129.275080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.275080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.275080 (E_RNA) where: Base-Base interactions energy: -694.641 where: short stacking energy: -336.681 Base-Backbone interact. energy: -0.796 local terms energy: -433.838367 where: bonds (distance) C4'-P energy: -86.945 bonds (distance) P-C4' energy: -108.426 flat angles C4'-P-C4' energy: -104.018 flat angles P-C4'-P energy: -61.241 tors. eta vs tors. theta energy: -73.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -967.221814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.221814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.221814 (E_RNA) where: Base-Base interactions energy: -559.217 where: short stacking energy: -303.365 Base-Backbone interact. energy: -1.426 local terms energy: -406.578811 where: bonds (distance) C4'-P energy: -98.006 bonds (distance) P-C4' energy: -104.339 flat angles C4'-P-C4' energy: -94.044 flat angles P-C4'-P energy: -52.004 tors. eta vs tors. theta energy: -58.185 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: 87 Temperature: 1.200000 Total energy: -838.684321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.684321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.684321 (E_RNA) where: Base-Base interactions energy: -451.060 where: short stacking energy: -242.385 Base-Backbone interact. energy: 2.252 local terms energy: -389.875530 where: bonds (distance) C4'-P energy: -84.144 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -98.642 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -51.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -722.378715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.378715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.378715 (E_RNA) where: Base-Base interactions energy: -389.540 where: short stacking energy: -208.444 Base-Backbone interact. energy: -2.167 local terms energy: -330.672492 where: bonds (distance) C4'-P energy: -99.625 bonds (distance) P-C4' energy: -97.290 flat angles C4'-P-C4' energy: -89.497 flat angles P-C4'-P energy: -28.859 tors. eta vs tors. theta energy: -15.401 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: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -603.707029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.707029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.707029 (E_RNA) where: Base-Base interactions energy: -317.410 where: short stacking energy: -180.176 Base-Backbone interact. energy: 0.596 local terms energy: -286.893269 where: bonds (distance) C4'-P energy: -77.328 bonds (distance) P-C4' energy: -100.596 flat angles C4'-P-C4' energy: -73.726 flat angles P-C4'-P energy: -35.232 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -552.723287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.723287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.723287 (E_RNA) where: Base-Base interactions energy: -295.319 where: short stacking energy: -167.476 Base-Backbone interact. energy: 1.534 local terms energy: -258.938262 where: bonds (distance) C4'-P energy: -80.946 bonds (distance) P-C4' energy: -82.762 flat angles C4'-P-C4' energy: -65.679 flat angles P-C4'-P energy: -40.963 tors. eta vs tors. theta energy: 11.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1711.930151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.930151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.930151 (E_RNA) where: Base-Base interactions energy: -1127.956 where: short stacking energy: -536.390 Base-Backbone interact. energy: -1.421 local terms energy: -582.553166 where: bonds (distance) C4'-P energy: -109.887 bonds (distance) P-C4' energy: -117.216 flat angles C4'-P-C4' energy: -128.580 flat angles P-C4'-P energy: -81.279 tors. eta vs tors. theta energy: -145.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1619.990644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.990644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.990644 (E_RNA) where: Base-Base interactions energy: -1081.379 where: short stacking energy: -485.920 Base-Backbone interact. energy: -2.336 local terms energy: -536.275681 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -112.185 flat angles C4'-P-C4' energy: -121.900 flat angles P-C4'-P energy: -75.290 tors. eta vs tors. theta energy: -121.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1476.571338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.571338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.571338 (E_RNA) where: Base-Base interactions energy: -944.320 where: short stacking energy: -462.448 Base-Backbone interact. energy: 0.353 local terms energy: -532.604717 where: bonds (distance) C4'-P energy: -100.189 bonds (distance) P-C4' energy: -107.601 flat angles C4'-P-C4' energy: -106.479 flat angles P-C4'-P energy: -83.029 tors. eta vs tors. theta energy: -135.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1365.113576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.113576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.113576 (E_RNA) where: Base-Base interactions energy: -874.558 where: short stacking energy: -382.943 Base-Backbone interact. energy: -2.779 local terms energy: -487.775934 where: bonds (distance) C4'-P energy: -90.906 bonds (distance) P-C4' energy: -109.283 flat angles C4'-P-C4' energy: -113.681 flat angles P-C4'-P energy: -77.722 tors. eta vs tors. theta energy: -96.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1185.891391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.891391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.891391 (E_RNA) where: Base-Base interactions energy: -743.336 where: short stacking energy: -331.619 Base-Backbone interact. energy: -0.916 local terms energy: -441.639792 where: bonds (distance) C4'-P energy: -101.145 bonds (distance) P-C4' energy: -101.050 flat angles C4'-P-C4' energy: -99.439 flat angles P-C4'-P energy: -70.368 tors. eta vs tors. theta energy: -69.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -975.678573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.678573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.678573 (E_RNA) where: Base-Base interactions energy: -576.442 where: short stacking energy: -284.679 Base-Backbone interact. energy: -0.619 local terms energy: -398.617842 where: bonds (distance) C4'-P energy: -81.026 bonds (distance) P-C4' energy: -104.865 flat angles C4'-P-C4' energy: -93.201 flat angles P-C4'-P energy: -72.772 tors. eta vs tors. theta energy: -46.754 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -837.886634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.886634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.886634 (E_RNA) where: Base-Base interactions energy: -475.872 where: short stacking energy: -257.211 Base-Backbone interact. energy: -0.709 local terms energy: -361.305735 where: bonds (distance) C4'-P energy: -87.248 bonds (distance) P-C4' energy: -94.352 flat angles C4'-P-C4' energy: -87.830 flat angles P-C4'-P energy: -54.024 tors. eta vs tors. theta energy: -37.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -799.245205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.245205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.245205 (E_RNA) where: Base-Base interactions energy: -451.333 where: short stacking energy: -252.703 Base-Backbone interact. energy: 10.319 local terms energy: -358.231251 where: bonds (distance) C4'-P energy: -92.520 bonds (distance) P-C4' energy: -88.175 flat angles C4'-P-C4' energy: -83.342 flat angles P-C4'-P energy: -67.263 tors. eta vs tors. theta energy: -26.932 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: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -588.839468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.839468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.839468 (E_RNA) where: Base-Base interactions energy: -253.885 where: short stacking energy: -155.991 Base-Backbone interact. energy: -2.255 local terms energy: -332.700061 where: bonds (distance) C4'-P energy: -109.978 bonds (distance) P-C4' energy: -87.597 flat angles C4'-P-C4' energy: -79.419 flat angles P-C4'-P energy: -61.367 tors. eta vs tors. theta energy: 5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -588.001501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.001501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.001501 (E_RNA) where: Base-Base interactions energy: -269.604 where: short stacking energy: -170.962 Base-Backbone interact. energy: 0.460 local terms energy: -318.857144 where: bonds (distance) C4'-P energy: -97.191 bonds (distance) P-C4' energy: -107.406 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: 4.891 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: 1, replica: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1724.218443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.218443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.218443 (E_RNA) where: Base-Base interactions energy: -1137.194 where: short stacking energy: -540.701 Base-Backbone interact. energy: -1.015 local terms energy: -586.009854 where: bonds (distance) C4'-P energy: -107.272 bonds (distance) P-C4' energy: -115.378 flat angles C4'-P-C4' energy: -123.547 flat angles P-C4'-P energy: -75.360 tors. eta vs tors. theta energy: -164.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1603.300201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.300201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.300201 (E_RNA) where: Base-Base interactions energy: -1070.474 where: short stacking energy: -467.819 Base-Backbone interact. energy: -1.461 local terms energy: -531.364797 where: bonds (distance) C4'-P energy: -104.929 bonds (distance) P-C4' energy: -116.576 flat angles C4'-P-C4' energy: -107.101 flat angles P-C4'-P energy: -80.117 tors. eta vs tors. theta energy: -122.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1496.161065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.161065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.161065 (E_RNA) where: Base-Base interactions energy: -970.876 where: short stacking energy: -464.923 Base-Backbone interact. energy: -2.635 local terms energy: -522.650419 where: bonds (distance) C4'-P energy: -96.753 bonds (distance) P-C4' energy: -120.583 flat angles C4'-P-C4' energy: -100.049 flat angles P-C4'-P energy: -69.676 tors. eta vs tors. theta energy: -135.589 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: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1396.980543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.980543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.980543 (E_RNA) where: Base-Base interactions energy: -922.651 where: short stacking energy: -405.545 Base-Backbone interact. energy: 0.996 local terms energy: -475.326081 where: bonds (distance) C4'-P energy: -92.018 bonds (distance) P-C4' energy: -99.554 flat angles C4'-P-C4' energy: -100.821 flat angles P-C4'-P energy: -76.567 tors. eta vs tors. theta energy: -106.366 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: 89 Temperature: 1.100000 Total energy: -1210.763798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.763798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.763798 (E_RNA) where: Base-Base interactions energy: -771.663 where: short stacking energy: -360.447 Base-Backbone interact. energy: -1.599 local terms energy: -437.502038 where: bonds (distance) C4'-P energy: -94.552 bonds (distance) P-C4' energy: -96.421 flat angles C4'-P-C4' energy: -110.062 flat angles P-C4'-P energy: -59.948 tors. eta vs tors. theta energy: -76.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1021.141975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.141975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.141975 (E_RNA) where: Base-Base interactions energy: -618.479 where: short stacking energy: -303.650 Base-Backbone interact. energy: 0.264 local terms energy: -402.926793 where: bonds (distance) C4'-P energy: -69.847 bonds (distance) P-C4' energy: -91.585 flat angles C4'-P-C4' energy: -97.085 flat angles P-C4'-P energy: -72.616 tors. eta vs tors. theta energy: -71.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -816.978921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.978921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.978921 (E_RNA) where: Base-Base interactions energy: -450.542 where: short stacking energy: -249.795 Base-Backbone interact. energy: -2.053 local terms energy: -364.384428 where: bonds (distance) C4'-P energy: -87.801 bonds (distance) P-C4' energy: -95.833 flat angles C4'-P-C4' energy: -92.499 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -37.104 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: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -708.755294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.755294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.755294 (E_RNA) where: Base-Base interactions energy: -383.984 where: short stacking energy: -195.533 Base-Backbone interact. energy: 1.165 local terms energy: -325.936472 where: bonds (distance) C4'-P energy: -97.530 bonds (distance) P-C4' energy: -91.044 flat angles C4'-P-C4' energy: -83.848 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -6.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -598.674946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.674946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.674946 (E_RNA) where: Base-Base interactions energy: -281.213 where: short stacking energy: -150.832 Base-Backbone interact. energy: 7.467 local terms energy: -324.929034 where: bonds (distance) C4'-P energy: -93.171 bonds (distance) P-C4' energy: -98.704 flat angles C4'-P-C4' energy: -82.017 flat angles P-C4'-P energy: -60.758 tors. eta vs tors. theta energy: 9.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -566.888526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.888526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.888526 (E_RNA) where: Base-Base interactions energy: -278.827 where: short stacking energy: -171.413 Base-Backbone interact. energy: 1.937 local terms energy: -289.998650 where: bonds (distance) C4'-P energy: -82.500 bonds (distance) P-C4' energy: -99.599 flat angles C4'-P-C4' energy: -82.395 flat angles P-C4'-P energy: -29.969 tors. eta vs tors. theta energy: 4.463 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: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1732.943923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.943923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.943923 (E_RNA) where: Base-Base interactions energy: -1150.237 where: short stacking energy: -549.915 Base-Backbone interact. energy: -1.967 local terms energy: -580.739568 where: bonds (distance) C4'-P energy: -106.529 bonds (distance) P-C4' energy: -97.928 flat angles C4'-P-C4' energy: -126.286 flat angles P-C4'-P energy: -85.967 tors. eta vs tors. theta energy: -164.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1617.406808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.406808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.406808 (E_RNA) where: Base-Base interactions energy: -1095.577 where: short stacking energy: -468.337 Base-Backbone interact. energy: -0.643 local terms energy: -521.187195 where: bonds (distance) C4'-P energy: -99.656 bonds (distance) P-C4' energy: -120.634 flat angles C4'-P-C4' energy: -104.350 flat angles P-C4'-P energy: -71.279 tors. eta vs tors. theta energy: -125.269 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: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1514.453598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.453598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.453598 (E_RNA) where: Base-Base interactions energy: -988.892 where: short stacking energy: -487.369 Base-Backbone interact. energy: -2.738 local terms energy: -522.823406 where: bonds (distance) C4'-P energy: -112.563 bonds (distance) P-C4' energy: -113.615 flat angles C4'-P-C4' energy: -102.812 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -126.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1413.176470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.176470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.176470 (E_RNA) where: Base-Base interactions energy: -919.822 where: short stacking energy: -436.283 Base-Backbone interact. energy: -3.202 local terms energy: -490.152599 where: bonds (distance) C4'-P energy: -88.745 bonds (distance) P-C4' energy: -105.180 flat angles C4'-P-C4' energy: -104.599 flat angles P-C4'-P energy: -65.877 tors. eta vs tors. theta energy: -125.751 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: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1174.296589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.296589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.296589 (E_RNA) where: Base-Base interactions energy: -729.401 where: short stacking energy: -359.931 Base-Backbone interact. energy: 1.466 local terms energy: -446.361510 where: bonds (distance) C4'-P energy: -92.141 bonds (distance) P-C4' energy: -101.299 flat angles C4'-P-C4' energy: -97.411 flat angles P-C4'-P energy: -66.462 tors. eta vs tors. theta energy: -89.049 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: 6, replica: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1061.457848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.457848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.457848 (E_RNA) where: Base-Base interactions energy: -685.632 where: short stacking energy: -363.545 Base-Backbone interact. energy: 0.342 local terms energy: -376.168002 where: bonds (distance) C4'-P energy: -84.716 bonds (distance) P-C4' energy: -92.358 flat angles C4'-P-C4' energy: -69.852 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -74.919 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: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -781.638527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.638527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.638527 (E_RNA) where: Base-Base interactions energy: -414.925 where: short stacking energy: -223.144 Base-Backbone interact. energy: -0.429 local terms energy: -366.283856 where: bonds (distance) C4'-P energy: -95.468 bonds (distance) P-C4' energy: -90.557 flat angles C4'-P-C4' energy: -105.254 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -33.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -661.818731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.818731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.818731 (E_RNA) where: Base-Base interactions energy: -332.758 where: short stacking energy: -187.172 Base-Backbone interact. energy: 3.048 local terms energy: -332.108612 where: bonds (distance) C4'-P energy: -75.615 bonds (distance) P-C4' energy: -109.098 flat angles C4'-P-C4' energy: -84.790 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -592.309949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.309949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.309949 (E_RNA) where: Base-Base interactions energy: -286.441 where: short stacking energy: -186.469 Base-Backbone interact. energy: -0.566 local terms energy: -305.303139 where: bonds (distance) C4'-P energy: -87.072 bonds (distance) P-C4' energy: -92.654 flat angles C4'-P-C4' energy: -54.987 flat angles P-C4'-P energy: -57.608 tors. eta vs tors. theta energy: -12.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -546.985347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.985347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.985347 (E_RNA) where: Base-Base interactions energy: -267.255 where: short stacking energy: -160.399 Base-Backbone interact. energy: 7.987 local terms energy: -287.717063 where: bonds (distance) C4'-P energy: -97.215 bonds (distance) P-C4' energy: -87.478 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -37.313 tors. eta vs tors. theta energy: 20.271 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: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1735.494622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.494622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.494622 (E_RNA) where: Base-Base interactions energy: -1137.792 where: short stacking energy: -544.647 Base-Backbone interact. energy: -0.101 local terms energy: -597.600856 where: bonds (distance) C4'-P energy: -107.153 bonds (distance) P-C4' energy: -107.799 flat angles C4'-P-C4' energy: -128.237 flat angles P-C4'-P energy: -86.605 tors. eta vs tors. theta energy: -167.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1625.819089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.819089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.819089 (E_RNA) where: Base-Base interactions energy: -1081.666 where: short stacking energy: -491.057 Base-Backbone interact. energy: 0.077 local terms energy: -544.230321 where: bonds (distance) C4'-P energy: -99.996 bonds (distance) P-C4' energy: -117.507 flat angles C4'-P-C4' energy: -117.081 flat angles P-C4'-P energy: -74.580 tors. eta vs tors. theta energy: -135.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1533.652891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.652891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.652891 (E_RNA) where: Base-Base interactions energy: -986.559 where: short stacking energy: -457.142 Base-Backbone interact. energy: -2.699 local terms energy: -544.394657 where: bonds (distance) C4'-P energy: -96.166 bonds (distance) P-C4' energy: -108.452 flat angles C4'-P-C4' energy: -109.236 flat angles P-C4'-P energy: -96.135 tors. eta vs tors. theta energy: -134.405 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: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1362.933715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.933715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.933715 (E_RNA) where: Base-Base interactions energy: -885.210 where: short stacking energy: -416.678 Base-Backbone interact. energy: -3.018 local terms energy: -474.705572 where: bonds (distance) C4'-P energy: -91.645 bonds (distance) P-C4' energy: -95.885 flat angles C4'-P-C4' energy: -107.999 flat angles P-C4'-P energy: -74.303 tors. eta vs tors. theta energy: -104.874 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: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1196.114470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.114470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.114470 (E_RNA) where: Base-Base interactions energy: -741.612 where: short stacking energy: -359.694 Base-Backbone interact. energy: -0.046 local terms energy: -454.456518 where: bonds (distance) C4'-P energy: -105.862 bonds (distance) P-C4' energy: -103.136 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: -89.694 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: 91 Temperature: 1.150000 Total energy: -1006.574282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.574282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.574282 (E_RNA) where: Base-Base interactions energy: -588.599 where: short stacking energy: -317.293 Base-Backbone interact. energy: -2.636 local terms energy: -415.339306 where: bonds (distance) C4'-P energy: -98.411 bonds (distance) P-C4' energy: -93.856 flat angles C4'-P-C4' energy: -98.481 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: -70.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -812.135178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.135178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.135178 (E_RNA) where: Base-Base interactions energy: -450.834 where: short stacking energy: -243.021 Base-Backbone interact. energy: 5.525 local terms energy: -366.825624 where: bonds (distance) C4'-P energy: -85.684 bonds (distance) P-C4' energy: -93.729 flat angles C4'-P-C4' energy: -90.191 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -33.311 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: 91 Temperature: 1.250000 Total energy: -622.482076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.482076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.482076 (E_RNA) where: Base-Base interactions energy: -288.450 where: short stacking energy: -174.372 Base-Backbone interact. energy: 1.167 local terms energy: -335.199585 where: bonds (distance) C4'-P energy: -86.509 bonds (distance) P-C4' energy: -96.397 flat angles C4'-P-C4' energy: -88.364 flat angles P-C4'-P energy: -51.755 tors. eta vs tors. theta energy: -12.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -639.637938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.637938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.637938 (E_RNA) where: Base-Base interactions energy: -315.168 where: short stacking energy: -179.855 Base-Backbone interact. energy: -3.102 local terms energy: -321.367830 where: bonds (distance) C4'-P energy: -77.556 bonds (distance) P-C4' energy: -87.470 flat angles C4'-P-C4' energy: -91.102 flat angles P-C4'-P energy: -45.183 tors. eta vs tors. theta energy: -20.057 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: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -622.956511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.956511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.956511 (E_RNA) where: Base-Base interactions energy: -335.662 where: short stacking energy: -174.335 Base-Backbone interact. energy: -2.358 local terms energy: -284.936418 where: bonds (distance) C4'-P energy: -80.915 bonds (distance) P-C4' energy: -90.759 flat angles C4'-P-C4' energy: -65.124 flat angles P-C4'-P energy: -49.008 tors. eta vs tors. theta energy: 0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1730.519276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.519276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.519276 (E_RNA) where: Base-Base interactions energy: -1147.972 where: short stacking energy: -564.516 Base-Backbone interact. energy: -1.123 local terms energy: -581.424230 where: bonds (distance) C4'-P energy: -108.656 bonds (distance) P-C4' energy: -106.209 flat angles C4'-P-C4' energy: -116.728 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -167.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1595.725465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.725465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.725465 (E_RNA) where: Base-Base interactions energy: -1048.122 where: short stacking energy: -459.047 Base-Backbone interact. energy: 1.773 local terms energy: -549.376707 where: bonds (distance) C4'-P energy: -109.094 bonds (distance) P-C4' energy: -110.811 flat angles C4'-P-C4' energy: -121.887 flat angles P-C4'-P energy: -87.576 tors. eta vs tors. theta energy: -120.008 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: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1495.944779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.944779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.944779 (E_RNA) where: Base-Base interactions energy: -991.120 where: short stacking energy: -462.816 Base-Backbone interact. energy: -1.022 local terms energy: -503.802595 where: bonds (distance) C4'-P energy: -102.948 bonds (distance) P-C4' energy: -102.315 flat angles C4'-P-C4' energy: -113.203 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: -119.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1400.511603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.511603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.511603 (E_RNA) where: Base-Base interactions energy: -894.274 where: short stacking energy: -420.541 Base-Backbone interact. energy: -2.985 local terms energy: -503.252789 where: bonds (distance) C4'-P energy: -89.706 bonds (distance) P-C4' energy: -105.855 flat angles C4'-P-C4' energy: -124.987 flat angles P-C4'-P energy: -69.969 tors. eta vs tors. theta energy: -112.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1161.831117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.831117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.831117 (E_RNA) where: Base-Base interactions energy: -747.634 where: short stacking energy: -350.272 Base-Backbone interact. energy: -3.831 local terms energy: -410.365854 where: bonds (distance) C4'-P energy: -81.187 bonds (distance) P-C4' energy: -92.355 flat angles C4'-P-C4' energy: -94.558 flat angles P-C4'-P energy: -66.958 tors. eta vs tors. theta energy: -75.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -966.083836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.083836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.083836 (E_RNA) where: Base-Base interactions energy: -549.349 where: short stacking energy: -292.981 Base-Backbone interact. energy: 1.339 local terms energy: -418.073752 where: bonds (distance) C4'-P energy: -92.119 bonds (distance) P-C4' energy: -110.424 flat angles C4'-P-C4' energy: -103.267 flat angles P-C4'-P energy: -60.021 tors. eta vs tors. theta energy: -52.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -826.174596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.174596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.174596 (E_RNA) where: Base-Base interactions energy: -456.789 where: short stacking energy: -243.323 Base-Backbone interact. energy: 1.730 local terms energy: -371.115374 where: bonds (distance) C4'-P energy: -90.324 bonds (distance) P-C4' energy: -97.824 flat angles C4'-P-C4' energy: -100.979 flat angles P-C4'-P energy: -52.316 tors. eta vs tors. theta energy: -29.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -633.649688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.649688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.649688 (E_RNA) where: Base-Base interactions energy: -287.065 where: short stacking energy: -187.787 Base-Backbone interact. energy: -0.097 local terms energy: -346.487202 where: bonds (distance) C4'-P energy: -91.315 bonds (distance) P-C4' energy: -104.176 flat angles C4'-P-C4' energy: -88.579 flat angles P-C4'-P energy: -62.542 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -690.723824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.723824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.723824 (E_RNA) where: Base-Base interactions energy: -396.741 where: short stacking energy: -185.379 Base-Backbone interact. energy: 7.081 local terms energy: -301.063283 where: bonds (distance) C4'-P energy: -71.401 bonds (distance) P-C4' energy: -104.793 flat angles C4'-P-C4' energy: -82.893 flat angles P-C4'-P energy: -43.022 tors. eta vs tors. theta energy: 1.045 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: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -571.758921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.758921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.758921 (E_RNA) where: Base-Base interactions energy: -266.524 where: short stacking energy: -146.502 Base-Backbone interact. energy: -2.405 local terms energy: -302.829143 where: bonds (distance) C4'-P energy: -93.581 bonds (distance) P-C4' energy: -83.623 flat angles C4'-P-C4' energy: -86.773 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: 11.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1735.519572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.519572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.519572 (E_RNA) where: Base-Base interactions energy: -1163.132 where: short stacking energy: -554.152 Base-Backbone interact. energy: 0.600 local terms energy: -572.988454 where: bonds (distance) C4'-P energy: -119.099 bonds (distance) P-C4' energy: -90.271 flat angles C4'-P-C4' energy: -116.786 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -162.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1649.478346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.478346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.478346 (E_RNA) where: Base-Base interactions energy: -1087.199 where: short stacking energy: -457.771 Base-Backbone interact. energy: -3.665 local terms energy: -558.614203 where: bonds (distance) C4'-P energy: -112.920 bonds (distance) P-C4' energy: -101.339 flat angles C4'-P-C4' energy: -121.630 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: -137.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1456.030037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.030037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.030037 (E_RNA) where: Base-Base interactions energy: -919.122 where: short stacking energy: -438.074 Base-Backbone interact. energy: -2.108 local terms energy: -534.800551 where: bonds (distance) C4'-P energy: -111.399 bonds (distance) P-C4' energy: -115.200 flat angles C4'-P-C4' energy: -107.648 flat angles P-C4'-P energy: -69.509 tors. eta vs tors. theta energy: -131.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1370.038398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.038398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.038398 (E_RNA) where: Base-Base interactions energy: -874.713 where: short stacking energy: -429.056 Base-Backbone interact. energy: -4.303 local terms energy: -491.022423 where: bonds (distance) C4'-P energy: -103.808 bonds (distance) P-C4' energy: -109.416 flat angles C4'-P-C4' energy: -98.686 flat angles P-C4'-P energy: -77.040 tors. eta vs tors. theta energy: -102.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1159.556597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.556597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.556597 (E_RNA) where: Base-Base interactions energy: -727.432 where: short stacking energy: -341.398 Base-Backbone interact. energy: 2.030 local terms energy: -434.154338 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -101.386 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -68.802 tors. eta vs tors. theta energy: -70.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -969.094753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.094753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.094753 (E_RNA) where: Base-Base interactions energy: -567.455 where: short stacking energy: -270.077 Base-Backbone interact. energy: 3.469 local terms energy: -405.109217 where: bonds (distance) C4'-P energy: -96.328 bonds (distance) P-C4' energy: -111.108 flat angles C4'-P-C4' energy: -86.243 flat angles P-C4'-P energy: -61.968 tors. eta vs tors. theta energy: -49.462 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: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -804.269045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.269045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.269045 (E_RNA) where: Base-Base interactions energy: -430.979 where: short stacking energy: -234.377 Base-Backbone interact. energy: 4.480 local terms energy: -377.770004 where: bonds (distance) C4'-P energy: -95.785 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -87.773 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -36.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -676.941137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.941137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.941137 (E_RNA) where: Base-Base interactions energy: -350.399 where: short stacking energy: -190.829 Base-Backbone interact. energy: -2.063 local terms energy: -324.478905 where: bonds (distance) C4'-P energy: -87.092 bonds (distance) P-C4' energy: -82.043 flat angles C4'-P-C4' energy: -88.351 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -7.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -603.663038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.663038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.663038 (E_RNA) where: Base-Base interactions energy: -270.709 where: short stacking energy: -155.141 Base-Backbone interact. energy: -3.388 local terms energy: -329.566014 where: bonds (distance) C4'-P energy: -98.361 bonds (distance) P-C4' energy: -109.145 flat angles C4'-P-C4' energy: -79.732 flat angles P-C4'-P energy: -45.846 tors. eta vs tors. theta energy: 3.518 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: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -591.863334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.863334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.863334 (E_RNA) where: Base-Base interactions energy: -272.700 where: short stacking energy: -178.034 Base-Backbone interact. energy: 3.376 local terms energy: -322.539741 where: bonds (distance) C4'-P energy: -98.890 bonds (distance) P-C4' energy: -104.665 flat angles C4'-P-C4' energy: -64.857 flat angles P-C4'-P energy: -54.043 tors. eta vs tors. theta energy: -0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1756.487160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.487160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.487160 (E_RNA) where: Base-Base interactions energy: -1150.485 where: short stacking energy: -562.605 Base-Backbone interact. energy: -2.368 local terms energy: -603.633502 where: bonds (distance) C4'-P energy: -118.858 bonds (distance) P-C4' energy: -111.979 flat angles C4'-P-C4' energy: -126.178 flat angles P-C4'-P energy: -86.736 tors. eta vs tors. theta energy: -159.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1625.542858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.542858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.542858 (E_RNA) where: Base-Base interactions energy: -1068.943 where: short stacking energy: -476.991 Base-Backbone interact. energy: -2.405 local terms energy: -554.195213 where: bonds (distance) C4'-P energy: -108.837 bonds (distance) P-C4' energy: -107.061 flat angles C4'-P-C4' energy: -118.980 flat angles P-C4'-P energy: -84.978 tors. eta vs tors. theta energy: -134.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1460.765694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.765694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.765694 (E_RNA) where: Base-Base interactions energy: -956.583 where: short stacking energy: -465.444 Base-Backbone interact. energy: 0.575 local terms energy: -504.757028 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -91.691 flat angles C4'-P-C4' energy: -119.555 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -109.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1397.583158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.583158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.583158 (E_RNA) where: Base-Base interactions energy: -890.608 where: short stacking energy: -418.172 Base-Backbone interact. energy: -0.057 local terms energy: -506.918187 where: bonds (distance) C4'-P energy: -99.609 bonds (distance) P-C4' energy: -109.102 flat angles C4'-P-C4' energy: -115.758 flat angles P-C4'-P energy: -67.917 tors. eta vs tors. theta energy: -114.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1164.580341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.580341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.580341 (E_RNA) where: Base-Base interactions energy: -736.075 where: short stacking energy: -328.344 Base-Backbone interact. energy: -1.613 local terms energy: -426.892657 where: bonds (distance) C4'-P energy: -95.439 bonds (distance) P-C4' energy: -102.175 flat angles C4'-P-C4' energy: -93.965 flat angles P-C4'-P energy: -71.823 tors. eta vs tors. theta energy: -63.491 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: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1071.648658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.648658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.648658 (E_RNA) where: Base-Base interactions energy: -643.634 where: short stacking energy: -303.702 Base-Backbone interact. energy: -1.854 local terms energy: -426.161074 where: bonds (distance) C4'-P energy: -92.149 bonds (distance) P-C4' energy: -97.493 flat angles C4'-P-C4' energy: -105.336 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: -67.699 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: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -840.027379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.027379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.027379 (E_RNA) where: Base-Base interactions energy: -451.639 where: short stacking energy: -233.925 Base-Backbone interact. energy: 0.308 local terms energy: -388.696474 where: bonds (distance) C4'-P energy: -105.757 bonds (distance) P-C4' energy: -100.550 flat angles C4'-P-C4' energy: -88.535 flat angles P-C4'-P energy: -58.150 tors. eta vs tors. theta energy: -35.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -667.205108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.205108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.205108 (E_RNA) where: Base-Base interactions energy: -323.022 where: short stacking energy: -165.809 Base-Backbone interact. energy: 3.846 local terms energy: -348.028949 where: bonds (distance) C4'-P energy: -90.829 bonds (distance) P-C4' energy: -106.009 flat angles C4'-P-C4' energy: -85.875 flat angles P-C4'-P energy: -67.638 tors. eta vs tors. theta energy: 2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -635.882754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.882754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.882754 (E_RNA) where: Base-Base interactions energy: -327.534 where: short stacking energy: -207.548 Base-Backbone interact. energy: -0.798 local terms energy: -307.551312 where: bonds (distance) C4'-P energy: -75.457 bonds (distance) P-C4' energy: -90.964 flat angles C4'-P-C4' energy: -78.280 flat angles P-C4'-P energy: -48.215 tors. eta vs tors. theta energy: -14.635 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: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -561.358286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.358286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.358286 (E_RNA) where: Base-Base interactions energy: -249.154 where: short stacking energy: -152.232 Base-Backbone interact. energy: 2.027 local terms energy: -314.230809 where: bonds (distance) C4'-P energy: -95.838 bonds (distance) P-C4' energy: -97.106 flat angles C4'-P-C4' energy: -71.375 flat angles P-C4'-P energy: -47.686 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1718.634749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.634749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.634749 (E_RNA) where: Base-Base interactions energy: -1160.692 where: short stacking energy: -568.612 Base-Backbone interact. energy: -3.889 local terms energy: -554.054579 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -102.997 flat angles C4'-P-C4' energy: -103.799 flat angles P-C4'-P energy: -76.288 tors. eta vs tors. theta energy: -161.189 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: 2, replica: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1592.528517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.528517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.528517 (E_RNA) where: Base-Base interactions energy: -1060.714 where: short stacking energy: -500.614 Base-Backbone interact. energy: -0.964 local terms energy: -530.850990 where: bonds (distance) C4'-P energy: -99.187 bonds (distance) P-C4' energy: -102.938 flat angles C4'-P-C4' energy: -122.940 flat angles P-C4'-P energy: -77.162 tors. eta vs tors. theta energy: -128.624 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: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1501.238154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.238154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.238154 (E_RNA) where: Base-Base interactions energy: -964.788 where: short stacking energy: -491.772 Base-Backbone interact. energy: -1.014 local terms energy: -535.435696 where: bonds (distance) C4'-P energy: -99.340 bonds (distance) P-C4' energy: -105.060 flat angles C4'-P-C4' energy: -105.207 flat angles P-C4'-P energy: -84.751 tors. eta vs tors. theta energy: -141.078 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: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1354.842116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.842116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.842116 (E_RNA) where: Base-Base interactions energy: -862.620 where: short stacking energy: -409.415 Base-Backbone interact. energy: 1.135 local terms energy: -493.356675 where: bonds (distance) C4'-P energy: -93.556 bonds (distance) P-C4' energy: -104.692 flat angles C4'-P-C4' energy: -118.810 flat angles P-C4'-P energy: -67.965 tors. eta vs tors. theta energy: -108.334 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: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1119.917905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.917905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.917905 (E_RNA) where: Base-Base interactions energy: -687.650 where: short stacking energy: -333.607 Base-Backbone interact. energy: -2.194 local terms energy: -430.073795 where: bonds (distance) C4'-P energy: -84.334 bonds (distance) P-C4' energy: -114.382 flat angles C4'-P-C4' energy: -91.091 flat angles P-C4'-P energy: -61.070 tors. eta vs tors. theta energy: -79.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1090.429040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.429040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.429040 (E_RNA) where: Base-Base interactions energy: -676.829 where: short stacking energy: -306.481 Base-Backbone interact. energy: 3.001 local terms energy: -416.600359 where: bonds (distance) C4'-P energy: -97.561 bonds (distance) P-C4' energy: -91.920 flat angles C4'-P-C4' energy: -85.143 flat angles P-C4'-P energy: -75.672 tors. eta vs tors. theta energy: -66.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -853.814260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.814260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.814260 (E_RNA) where: Base-Base interactions energy: -478.093 where: short stacking energy: -230.145 Base-Backbone interact. energy: -1.595 local terms energy: -374.126688 where: bonds (distance) C4'-P energy: -82.293 bonds (distance) P-C4' energy: -104.431 flat angles C4'-P-C4' energy: -104.857 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: -32.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -670.508435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.508435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.508435 (E_RNA) where: Base-Base interactions energy: -317.223 where: short stacking energy: -197.570 Base-Backbone interact. energy: -2.850 local terms energy: -350.434670 where: bonds (distance) C4'-P energy: -92.508 bonds (distance) P-C4' energy: -110.074 flat angles C4'-P-C4' energy: -82.451 flat angles P-C4'-P energy: -47.743 tors. eta vs tors. theta energy: -17.659 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: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -601.626602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.626602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.626602 (E_RNA) where: Base-Base interactions energy: -314.612 where: short stacking energy: -215.244 Base-Backbone interact. energy: -0.928 local terms energy: -286.086890 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -81.753 flat angles C4'-P-C4' energy: -76.173 flat angles P-C4'-P energy: -31.510 tors. eta vs tors. theta energy: -19.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -561.860918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.860918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.860918 (E_RNA) where: Base-Base interactions energy: -256.744 where: short stacking energy: -151.725 Base-Backbone interact. energy: 1.001 local terms energy: -306.117452 where: bonds (distance) C4'-P energy: -94.629 bonds (distance) P-C4' energy: -94.062 flat angles C4'-P-C4' energy: -75.091 flat angles P-C4'-P energy: -46.638 tors. eta vs tors. theta energy: 4.303 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: 96 Temperature: 0.900000 Total energy: -1746.547810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.547810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.547810 (E_RNA) where: Base-Base interactions energy: -1163.223 where: short stacking energy: -565.241 Base-Backbone interact. energy: -1.790 local terms energy: -581.535442 where: bonds (distance) C4'-P energy: -109.536 bonds (distance) P-C4' energy: -107.310 flat angles C4'-P-C4' energy: -116.803 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -175.299 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: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1616.292440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.292440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.292440 (E_RNA) where: Base-Base interactions energy: -1082.813 where: short stacking energy: -484.013 Base-Backbone interact. energy: -4.775 local terms energy: -528.704518 where: bonds (distance) C4'-P energy: -107.056 bonds (distance) P-C4' energy: -100.279 flat angles C4'-P-C4' energy: -112.831 flat angles P-C4'-P energy: -77.607 tors. eta vs tors. theta energy: -130.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1466.312027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.312027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.312027 (E_RNA) where: Base-Base interactions energy: -937.419 where: short stacking energy: -438.978 Base-Backbone interact. energy: -2.785 local terms energy: -526.108061 where: bonds (distance) C4'-P energy: -106.254 bonds (distance) P-C4' energy: -107.217 flat angles C4'-P-C4' energy: -111.519 flat angles P-C4'-P energy: -77.651 tors. eta vs tors. theta energy: -123.467 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: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1424.532007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.532007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.532007 (E_RNA) where: Base-Base interactions energy: -930.657 where: short stacking energy: -431.219 Base-Backbone interact. energy: 0.989 local terms energy: -494.863951 where: bonds (distance) C4'-P energy: -99.113 bonds (distance) P-C4' energy: -109.110 flat angles C4'-P-C4' energy: -111.516 flat angles P-C4'-P energy: -71.822 tors. eta vs tors. theta energy: -103.303 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: 96 Temperature: 1.100000 Total energy: -1175.157537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.157537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.157537 (E_RNA) where: Base-Base interactions energy: -710.985 where: short stacking energy: -369.733 Base-Backbone interact. energy: 0.275 local terms energy: -464.448414 where: bonds (distance) C4'-P energy: -94.614 bonds (distance) P-C4' energy: -115.234 flat angles C4'-P-C4' energy: -102.765 flat angles P-C4'-P energy: -57.191 tors. eta vs tors. theta energy: -94.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1074.720699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.720699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.720699 (E_RNA) where: Base-Base interactions energy: -666.360 where: short stacking energy: -279.729 Base-Backbone interact. energy: 0.376 local terms energy: -408.736438 where: bonds (distance) C4'-P energy: -75.996 bonds (distance) P-C4' energy: -108.238 flat angles C4'-P-C4' energy: -101.292 flat angles P-C4'-P energy: -63.384 tors. eta vs tors. theta energy: -59.827 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: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -884.560120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.560120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.560120 (E_RNA) where: Base-Base interactions energy: -488.034 where: short stacking energy: -239.592 Base-Backbone interact. energy: -2.178 local terms energy: -394.347248 where: bonds (distance) C4'-P energy: -85.479 bonds (distance) P-C4' energy: -95.950 flat angles C4'-P-C4' energy: -120.696 flat angles P-C4'-P energy: -50.039 tors. eta vs tors. theta energy: -42.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -688.342597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.342597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.342597 (E_RNA) where: Base-Base interactions energy: -365.784 where: short stacking energy: -193.836 Base-Backbone interact. energy: -4.151 local terms energy: -318.406971 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -94.981 flat angles C4'-P-C4' energy: -69.936 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -610.018304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.018304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.018304 (E_RNA) where: Base-Base interactions energy: -272.846 where: short stacking energy: -162.410 Base-Backbone interact. energy: 0.218 local terms energy: -337.389470 where: bonds (distance) C4'-P energy: -87.331 bonds (distance) P-C4' energy: -87.351 flat angles C4'-P-C4' energy: -83.530 flat angles P-C4'-P energy: -63.213 tors. eta vs tors. theta energy: -15.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -608.062081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.062081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.062081 (E_RNA) where: Base-Base interactions energy: -297.947 where: short stacking energy: -195.359 Base-Backbone interact. energy: 0.574 local terms energy: -310.688544 where: bonds (distance) C4'-P energy: -91.779 bonds (distance) P-C4' energy: -90.754 flat angles C4'-P-C4' energy: -69.015 flat angles P-C4'-P energy: -55.553 tors. eta vs tors. theta energy: -3.587 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: 97 Temperature: 0.900000 Total energy: -1717.578440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.578440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.578440 (E_RNA) where: Base-Base interactions energy: -1120.195 where: short stacking energy: -555.366 Base-Backbone interact. energy: -2.379 local terms energy: -595.003618 where: bonds (distance) C4'-P energy: -119.129 bonds (distance) P-C4' energy: -101.397 flat angles C4'-P-C4' energy: -119.115 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: -169.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1623.550121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.550121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.550121 (E_RNA) where: Base-Base interactions energy: -1070.901 where: short stacking energy: -456.740 Base-Backbone interact. energy: -1.008 local terms energy: -551.641137 where: bonds (distance) C4'-P energy: -107.883 bonds (distance) P-C4' energy: -112.930 flat angles C4'-P-C4' energy: -122.839 flat angles P-C4'-P energy: -84.471 tors. eta vs tors. theta energy: -123.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1471.965504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.965504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.965504 (E_RNA) where: Base-Base interactions energy: -954.195 where: short stacking energy: -460.089 Base-Backbone interact. energy: -0.607 local terms energy: -517.163998 where: bonds (distance) C4'-P energy: -94.539 bonds (distance) P-C4' energy: -112.441 flat angles C4'-P-C4' energy: -107.832 flat angles P-C4'-P energy: -83.612 tors. eta vs tors. theta energy: -118.741 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: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1435.817339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.817339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.817339 (E_RNA) where: Base-Base interactions energy: -928.602 where: short stacking energy: -434.531 Base-Backbone interact. energy: -3.353 local terms energy: -503.861813 where: bonds (distance) C4'-P energy: -103.413 bonds (distance) P-C4' energy: -85.586 flat angles C4'-P-C4' energy: -123.136 flat angles P-C4'-P energy: -73.134 tors. eta vs tors. theta energy: -118.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1118.577645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.577645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.577645 (E_RNA) where: Base-Base interactions energy: -669.712 where: short stacking energy: -323.309 Base-Backbone interact. energy: 2.181 local terms energy: -451.046792 where: bonds (distance) C4'-P energy: -103.265 bonds (distance) P-C4' energy: -87.243 flat angles C4'-P-C4' energy: -120.256 flat angles P-C4'-P energy: -63.809 tors. eta vs tors. theta energy: -76.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1066.801245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.801245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.801245 (E_RNA) where: Base-Base interactions energy: -650.032 where: short stacking energy: -311.378 Base-Backbone interact. energy: -1.882 local terms energy: -414.887529 where: bonds (distance) C4'-P energy: -93.668 bonds (distance) P-C4' energy: -101.979 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: -71.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -882.868155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.868155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.868155 (E_RNA) where: Base-Base interactions energy: -502.005 where: short stacking energy: -253.227 Base-Backbone interact. energy: 0.317 local terms energy: -381.179341 where: bonds (distance) C4'-P energy: -98.019 bonds (distance) P-C4' energy: -92.732 flat angles C4'-P-C4' energy: -92.339 flat angles P-C4'-P energy: -58.185 tors. eta vs tors. theta energy: -39.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -732.375254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.375254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.375254 (E_RNA) where: Base-Base interactions energy: -365.393 where: short stacking energy: -206.084 Base-Backbone interact. energy: -2.725 local terms energy: -364.256350 where: bonds (distance) C4'-P energy: -87.752 bonds (distance) P-C4' energy: -95.924 flat angles C4'-P-C4' energy: -96.614 flat angles P-C4'-P energy: -69.892 tors. eta vs tors. theta energy: -14.075 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: 97 Temperature: 1.300000 Total energy: -615.622651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.622651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.622651 (E_RNA) where: Base-Base interactions energy: -310.945 where: short stacking energy: -205.770 Base-Backbone interact. energy: 0.119 local terms energy: -304.796876 where: bonds (distance) C4'-P energy: -74.255 bonds (distance) P-C4' energy: -85.229 flat angles C4'-P-C4' energy: -77.083 flat angles P-C4'-P energy: -45.558 tors. eta vs tors. theta energy: -22.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -596.015117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.015117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.015117 (E_RNA) where: Base-Base interactions energy: -295.555 where: short stacking energy: -168.682 Base-Backbone interact. energy: -1.241 local terms energy: -299.219402 where: bonds (distance) C4'-P energy: -89.053 bonds (distance) P-C4' energy: -90.303 flat angles C4'-P-C4' energy: -82.840 flat angles P-C4'-P energy: -45.972 tors. eta vs tors. theta energy: 8.947 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: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1719.616222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.616222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.616222 (E_RNA) where: Base-Base interactions energy: -1116.125 where: short stacking energy: -557.882 Base-Backbone interact. energy: 0.210 local terms energy: -603.700318 where: bonds (distance) C4'-P energy: -109.818 bonds (distance) P-C4' energy: -112.179 flat angles C4'-P-C4' energy: -128.309 flat angles P-C4'-P energy: -87.506 tors. eta vs tors. theta energy: -165.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1623.126091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.126091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.126091 (E_RNA) where: Base-Base interactions energy: -1067.567 where: short stacking energy: -471.752 Base-Backbone interact. energy: -2.344 local terms energy: -553.215644 where: bonds (distance) C4'-P energy: -108.313 bonds (distance) P-C4' energy: -113.561 flat angles C4'-P-C4' energy: -115.953 flat angles P-C4'-P energy: -78.404 tors. eta vs tors. theta energy: -136.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1497.888819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.888819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.888819 (E_RNA) where: Base-Base interactions energy: -986.239 where: short stacking energy: -458.268 Base-Backbone interact. energy: -2.763 local terms energy: -508.887488 where: bonds (distance) C4'-P energy: -100.986 bonds (distance) P-C4' energy: -103.706 flat angles C4'-P-C4' energy: -116.311 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: -121.261 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: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1399.728515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.728515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.728515 (E_RNA) where: Base-Base interactions energy: -902.997 where: short stacking energy: -421.122 Base-Backbone interact. energy: -1.019 local terms energy: -495.712639 where: bonds (distance) C4'-P energy: -97.391 bonds (distance) P-C4' energy: -104.575 flat angles C4'-P-C4' energy: -121.713 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -104.085 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: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1170.390338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.390338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.390338 (E_RNA) where: Base-Base interactions energy: -741.926 where: short stacking energy: -373.072 Base-Backbone interact. energy: -1.782 local terms energy: -426.682164 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -91.690 flat angles C4'-P-C4' energy: -95.114 flat angles P-C4'-P energy: -54.690 tors. eta vs tors. theta energy: -83.744 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: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1073.673173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.673173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.673173 (E_RNA) where: Base-Base interactions energy: -651.254 where: short stacking energy: -326.552 Base-Backbone interact. energy: -0.095 local terms energy: -422.323917 where: bonds (distance) C4'-P energy: -89.493 bonds (distance) P-C4' energy: -105.482 flat angles C4'-P-C4' energy: -104.511 flat angles P-C4'-P energy: -53.691 tors. eta vs tors. theta energy: -69.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -869.815213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.815213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.815213 (E_RNA) where: Base-Base interactions energy: -508.219 where: short stacking energy: -257.839 Base-Backbone interact. energy: -0.718 local terms energy: -360.878347 where: bonds (distance) C4'-P energy: -85.913 bonds (distance) P-C4' energy: -93.334 flat angles C4'-P-C4' energy: -82.291 flat angles P-C4'-P energy: -62.266 tors. eta vs tors. theta energy: -37.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -738.843563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.843563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.843563 (E_RNA) where: Base-Base interactions energy: -381.838 where: short stacking energy: -214.787 Base-Backbone interact. energy: -0.766 local terms energy: -356.239249 where: bonds (distance) C4'-P energy: -91.134 bonds (distance) P-C4' energy: -92.873 flat angles C4'-P-C4' energy: -94.952 flat angles P-C4'-P energy: -60.914 tors. eta vs tors. theta energy: -16.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -678.110612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.110612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.110612 (E_RNA) where: Base-Base interactions energy: -344.441 where: short stacking energy: -191.961 Base-Backbone interact. energy: -2.247 local terms energy: -331.422905 where: bonds (distance) C4'-P energy: -83.913 bonds (distance) P-C4' energy: -77.071 flat angles C4'-P-C4' energy: -107.444 flat angles P-C4'-P energy: -52.167 tors. eta vs tors. theta energy: -10.827 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: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -601.923896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.923896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.923896 (E_RNA) where: Base-Base interactions energy: -271.550 where: short stacking energy: -156.135 Base-Backbone interact. energy: 0.763 local terms energy: -331.136082 where: bonds (distance) C4'-P energy: -94.369 bonds (distance) P-C4' energy: -96.482 flat angles C4'-P-C4' energy: -78.123 flat angles P-C4'-P energy: -53.126 tors. eta vs tors. theta energy: -9.036 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: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1738.001293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.001293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.001293 (E_RNA) where: Base-Base interactions energy: -1143.120 where: short stacking energy: -568.867 Base-Backbone interact. energy: -1.479 local terms energy: -593.402038 where: bonds (distance) C4'-P energy: -110.393 bonds (distance) P-C4' energy: -113.989 flat angles C4'-P-C4' energy: -128.142 flat angles P-C4'-P energy: -71.585 tors. eta vs tors. theta energy: -169.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1626.620938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.620938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.620938 (E_RNA) where: Base-Base interactions energy: -1100.497 where: short stacking energy: -477.903 Base-Backbone interact. energy: 0.343 local terms energy: -526.467705 where: bonds (distance) C4'-P energy: -107.874 bonds (distance) P-C4' energy: -105.906 flat angles C4'-P-C4' energy: -113.338 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: -122.472 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: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1491.100125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.100125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.100125 (E_RNA) where: Base-Base interactions energy: -970.985 where: short stacking energy: -448.817 Base-Backbone interact. energy: -1.633 local terms energy: -518.481946 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -104.744 flat angles C4'-P-C4' energy: -119.746 flat angles P-C4'-P energy: -77.874 tors. eta vs tors. theta energy: -130.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1346.007982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.007982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.007982 (E_RNA) where: Base-Base interactions energy: -859.647 where: short stacking energy: -406.274 Base-Backbone interact. energy: -2.524 local terms energy: -483.836433 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -96.603 flat angles C4'-P-C4' energy: -114.444 flat angles P-C4'-P energy: -64.424 tors. eta vs tors. theta energy: -108.283 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: 99 Temperature: 1.100000 Total energy: -1166.858898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.858898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.858898 (E_RNA) where: Base-Base interactions energy: -715.171 where: short stacking energy: -356.256 Base-Backbone interact. energy: -0.707 local terms energy: -450.980755 where: bonds (distance) C4'-P energy: -111.831 bonds (distance) P-C4' energy: -103.369 flat angles C4'-P-C4' energy: -110.253 flat angles P-C4'-P energy: -58.977 tors. eta vs tors. theta energy: -66.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1070.957930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.957930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.957930 (E_RNA) where: Base-Base interactions energy: -660.319 where: short stacking energy: -292.869 Base-Backbone interact. energy: -3.483 local terms energy: -407.155744 where: bonds (distance) C4'-P energy: -90.176 bonds (distance) P-C4' energy: -104.030 flat angles C4'-P-C4' energy: -100.718 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -50.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -923.113438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.113438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.113438 (E_RNA) where: Base-Base interactions energy: -534.171 where: short stacking energy: -260.436 Base-Backbone interact. energy: 3.161 local terms energy: -392.103351 where: bonds (distance) C4'-P energy: -88.329 bonds (distance) P-C4' energy: -95.396 flat angles C4'-P-C4' energy: -98.031 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -48.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -763.377932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.377932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.377932 (E_RNA) where: Base-Base interactions energy: -413.094 where: short stacking energy: -226.656 Base-Backbone interact. energy: 1.186 local terms energy: -351.469474 where: bonds (distance) C4'-P energy: -84.584 bonds (distance) P-C4' energy: -94.782 flat angles C4'-P-C4' energy: -95.255 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: -15.238 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: 99 Temperature: 1.300000 Total energy: -665.828188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.828188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.828188 (E_RNA) where: Base-Base interactions energy: -347.225 where: short stacking energy: -185.476 Base-Backbone interact. energy: -1.222 local terms energy: -317.381240 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -96.436 flat angles C4'-P-C4' energy: -76.885 flat angles P-C4'-P energy: -39.864 tors. eta vs tors. theta energy: -12.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -537.018268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.018268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.018268 (E_RNA) where: Base-Base interactions energy: -247.206 where: short stacking energy: -158.743 Base-Backbone interact. energy: 1.196 local terms energy: -291.008665 where: bonds (distance) C4'-P energy: -84.474 bonds (distance) P-C4' energy: -88.948 flat angles C4'-P-C4' energy: -79.012 flat angles P-C4'-P energy: -41.061 tors. eta vs tors. theta energy: 2.487 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: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1729.805000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.805000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.805000 (E_RNA) where: Base-Base interactions energy: -1125.089 where: short stacking energy: -519.680 Base-Backbone interact. energy: -0.315 local terms energy: -604.400443 where: bonds (distance) C4'-P energy: -112.986 bonds (distance) P-C4' energy: -117.410 flat angles C4'-P-C4' energy: -128.398 flat angles P-C4'-P energy: -79.749 tors. eta vs tors. theta energy: -165.856 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: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1627.556465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.556465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.556465 (E_RNA) where: Base-Base interactions energy: -1108.419 where: short stacking energy: -493.052 Base-Backbone interact. energy: -4.023 local terms energy: -515.113665 where: bonds (distance) C4'-P energy: -99.736 bonds (distance) P-C4' energy: -99.641 flat angles C4'-P-C4' energy: -109.346 flat angles P-C4'-P energy: -69.777 tors. eta vs tors. theta energy: -136.614 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: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1451.625932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.625932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.625932 (E_RNA) where: Base-Base interactions energy: -942.625 where: short stacking energy: -441.452 Base-Backbone interact. energy: -4.068 local terms energy: -504.932776 where: bonds (distance) C4'-P energy: -89.180 bonds (distance) P-C4' energy: -108.442 flat angles C4'-P-C4' energy: -113.317 flat angles P-C4'-P energy: -69.670 tors. eta vs tors. theta energy: -124.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1353.716875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.716875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.716875 (E_RNA) where: Base-Base interactions energy: -863.889 where: short stacking energy: -406.543 Base-Backbone interact. energy: -3.317 local terms energy: -486.510990 where: bonds (distance) C4'-P energy: -97.637 bonds (distance) P-C4' energy: -103.991 flat angles C4'-P-C4' energy: -118.341 flat angles P-C4'-P energy: -73.297 tors. eta vs tors. theta energy: -93.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1196.491051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.491051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.491051 (E_RNA) where: Base-Base interactions energy: -745.998 where: short stacking energy: -390.935 Base-Backbone interact. energy: -2.216 local terms energy: -448.277341 where: bonds (distance) C4'-P energy: -100.624 bonds (distance) P-C4' energy: -95.495 flat angles C4'-P-C4' energy: -111.453 flat angles P-C4'-P energy: -58.394 tors. eta vs tors. theta energy: -82.312 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: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1057.513493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.513493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.513493 (E_RNA) where: Base-Base interactions energy: -638.887 where: short stacking energy: -295.061 Base-Backbone interact. energy: -0.054 local terms energy: -418.571919 where: bonds (distance) C4'-P energy: -93.581 bonds (distance) P-C4' energy: -105.477 flat angles C4'-P-C4' energy: -84.273 flat angles P-C4'-P energy: -75.293 tors. eta vs tors. theta energy: -59.947 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: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -886.412828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.412828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.412828 (E_RNA) where: Base-Base interactions energy: -489.726 where: short stacking energy: -268.563 Base-Backbone interact. energy: -2.593 local terms energy: -394.093523 where: bonds (distance) C4'-P energy: -95.343 bonds (distance) P-C4' energy: -99.315 flat angles C4'-P-C4' energy: -101.536 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -46.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -822.213395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.213395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.213395 (E_RNA) where: Base-Base interactions energy: -459.115 where: short stacking energy: -261.104 Base-Backbone interact. energy: 0.179 local terms energy: -363.277210 where: bonds (distance) C4'-P energy: -82.614 bonds (distance) P-C4' energy: -95.515 flat angles C4'-P-C4' energy: -96.882 flat angles P-C4'-P energy: -61.113 tors. eta vs tors. theta energy: -27.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -639.142205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.142205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.142205 (E_RNA) where: Base-Base interactions energy: -366.107 where: short stacking energy: -185.958 Base-Backbone interact. energy: 2.009 local terms energy: -275.043731 where: bonds (distance) C4'-P energy: -81.736 bonds (distance) P-C4' energy: -82.239 flat angles C4'-P-C4' energy: -79.354 flat angles P-C4'-P energy: -33.723 tors. eta vs tors. theta energy: 2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -534.008549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.008549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.008549 (E_RNA) where: Base-Base interactions energy: -252.448 where: short stacking energy: -161.861 Base-Backbone interact. energy: 3.234 local terms energy: -284.794214 where: bonds (distance) C4'-P energy: -86.255 bonds (distance) P-C4' energy: -86.443 flat angles C4'-P-C4' energy: -72.794 flat angles P-C4'-P energy: -42.298 tors. eta vs tors. theta energy: 2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1747.403611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.403611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.403611 (E_RNA) where: Base-Base interactions energy: -1154.413 where: short stacking energy: -537.823 Base-Backbone interact. energy: -3.264 local terms energy: -589.726057 where: bonds (distance) C4'-P energy: -115.892 bonds (distance) P-C4' energy: -112.236 flat angles C4'-P-C4' energy: -119.739 flat angles P-C4'-P energy: -79.439 tors. eta vs tors. theta energy: -162.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1597.185566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.185566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.185566 (E_RNA) where: Base-Base interactions energy: -1064.998 where: short stacking energy: -472.358 Base-Backbone interact. energy: -7.353 local terms energy: -524.834367 where: bonds (distance) C4'-P energy: -105.900 bonds (distance) P-C4' energy: -97.103 flat angles C4'-P-C4' energy: -114.230 flat angles P-C4'-P energy: -75.732 tors. eta vs tors. theta energy: -131.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1449.413989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.413989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.413989 (E_RNA) where: Base-Base interactions energy: -960.934 where: short stacking energy: -448.901 Base-Backbone interact. energy: 2.360 local terms energy: -490.839545 where: bonds (distance) C4'-P energy: -98.192 bonds (distance) P-C4' energy: -90.670 flat angles C4'-P-C4' energy: -110.562 flat angles P-C4'-P energy: -69.693 tors. eta vs tors. theta energy: -121.722 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: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1381.315060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.315060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.315060 (E_RNA) where: Base-Base interactions energy: -892.419 where: short stacking energy: -401.457 Base-Backbone interact. energy: -2.546 local terms energy: -486.350742 where: bonds (distance) C4'-P energy: -102.480 bonds (distance) P-C4' energy: -106.630 flat angles C4'-P-C4' energy: -107.167 flat angles P-C4'-P energy: -77.874 tors. eta vs tors. theta energy: -92.199 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: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1186.270159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.270159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.270159 (E_RNA) where: Base-Base interactions energy: -736.062 where: short stacking energy: -347.207 Base-Backbone interact. energy: -1.174 local terms energy: -449.034277 where: bonds (distance) C4'-P energy: -102.308 bonds (distance) P-C4' energy: -94.534 flat angles C4'-P-C4' energy: -100.049 flat angles P-C4'-P energy: -71.977 tors. eta vs tors. theta energy: -80.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1095.879875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.879875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.879875 (E_RNA) where: Base-Base interactions energy: -667.314 where: short stacking energy: -352.622 Base-Backbone interact. energy: -0.868 local terms energy: -427.697445 where: bonds (distance) C4'-P energy: -91.604 bonds (distance) P-C4' energy: -95.483 flat angles C4'-P-C4' energy: -105.170 flat angles P-C4'-P energy: -69.052 tors. eta vs tors. theta energy: -66.388 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: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -894.324617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.324617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.324617 (E_RNA) where: Base-Base interactions energy: -492.476 where: short stacking energy: -235.831 Base-Backbone interact. energy: -0.360 local terms energy: -401.488371 where: bonds (distance) C4'-P energy: -106.895 bonds (distance) P-C4' energy: -109.705 flat angles C4'-P-C4' energy: -82.824 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -55.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -807.851893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.851893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.851893 (E_RNA) where: Base-Base interactions energy: -454.775 where: short stacking energy: -218.635 Base-Backbone interact. energy: 0.829 local terms energy: -353.905318 where: bonds (distance) C4'-P energy: -84.427 bonds (distance) P-C4' energy: -91.093 flat angles C4'-P-C4' energy: -88.563 flat angles P-C4'-P energy: -66.420 tors. eta vs tors. theta energy: -23.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -606.041201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.041201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.041201 (E_RNA) where: Base-Base interactions energy: -278.699 where: short stacking energy: -159.417 Base-Backbone interact. energy: 0.610 local terms energy: -327.951757 where: bonds (distance) C4'-P energy: -92.787 bonds (distance) P-C4' energy: -105.772 flat angles C4'-P-C4' energy: -76.054 flat angles P-C4'-P energy: -58.887 tors. eta vs tors. theta energy: 5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -522.553471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.553471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.553471 (E_RNA) where: Base-Base interactions energy: -214.174 where: short stacking energy: -141.137 Base-Backbone interact. energy: 4.237 local terms energy: -312.616746 where: bonds (distance) C4'-P energy: -68.888 bonds (distance) P-C4' energy: -101.007 flat angles C4'-P-C4' energy: -76.881 flat angles P-C4'-P energy: -56.831 tors. eta vs tors. theta energy: -9.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1709.462419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.462419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.462419 (E_RNA) where: Base-Base interactions energy: -1143.316 where: short stacking energy: -544.782 Base-Backbone interact. energy: -1.525 local terms energy: -564.621873 where: bonds (distance) C4'-P energy: -110.721 bonds (distance) P-C4' energy: -101.509 flat angles C4'-P-C4' energy: -123.359 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: -155.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1629.554736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.554736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.554736 (E_RNA) where: Base-Base interactions energy: -1094.311 where: short stacking energy: -489.000 Base-Backbone interact. energy: -4.529 local terms energy: -530.715192 where: bonds (distance) C4'-P energy: -92.861 bonds (distance) P-C4' energy: -102.530 flat angles C4'-P-C4' energy: -120.967 flat angles P-C4'-P energy: -79.516 tors. eta vs tors. theta energy: -134.840 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: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1480.524007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.524007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.524007 (E_RNA) where: Base-Base interactions energy: -955.834 where: short stacking energy: -456.536 Base-Backbone interact. energy: -2.008 local terms energy: -522.681900 where: bonds (distance) C4'-P energy: -109.629 bonds (distance) P-C4' energy: -105.820 flat angles C4'-P-C4' energy: -111.779 flat angles P-C4'-P energy: -74.175 tors. eta vs tors. theta energy: -121.279 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: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1416.647086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.647086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.647086 (E_RNA) where: Base-Base interactions energy: -917.736 where: short stacking energy: -425.951 Base-Backbone interact. energy: -2.308 local terms energy: -496.602979 where: bonds (distance) C4'-P energy: -101.977 bonds (distance) P-C4' energy: -110.050 flat angles C4'-P-C4' energy: -106.483 flat angles P-C4'-P energy: -73.266 tors. eta vs tors. theta energy: -104.827 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: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1242.651458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.651458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.651458 (E_RNA) where: Base-Base interactions energy: -785.718 where: short stacking energy: -385.526 Base-Backbone interact. energy: -2.455 local terms energy: -454.479292 where: bonds (distance) C4'-P energy: -84.616 bonds (distance) P-C4' energy: -102.109 flat angles C4'-P-C4' energy: -117.939 flat angles P-C4'-P energy: -65.932 tors. eta vs tors. theta energy: -83.883 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: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1091.167537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.167537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.167537 (E_RNA) where: Base-Base interactions energy: -648.842 where: short stacking energy: -320.792 Base-Backbone interact. energy: -0.141 local terms energy: -442.184863 where: bonds (distance) C4'-P energy: -105.552 bonds (distance) P-C4' energy: -115.727 flat angles C4'-P-C4' energy: -84.411 flat angles P-C4'-P energy: -72.503 tors. eta vs tors. theta energy: -63.992 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: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -903.902689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.902689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.902689 (E_RNA) where: Base-Base interactions energy: -528.154 where: short stacking energy: -260.238 Base-Backbone interact. energy: -0.180 local terms energy: -375.568659 where: bonds (distance) C4'-P energy: -95.971 bonds (distance) P-C4' energy: -93.559 flat angles C4'-P-C4' energy: -91.480 flat angles P-C4'-P energy: -67.060 tors. eta vs tors. theta energy: -27.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -818.988855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.988855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.988855 (E_RNA) where: Base-Base interactions energy: -488.858 where: short stacking energy: -233.353 Base-Backbone interact. energy: 0.397 local terms energy: -330.528570 where: bonds (distance) C4'-P energy: -94.094 bonds (distance) P-C4' energy: -72.751 flat angles C4'-P-C4' energy: -93.338 flat angles P-C4'-P energy: -55.606 tors. eta vs tors. theta energy: -14.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -590.806754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.806754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.806754 (E_RNA) where: Base-Base interactions energy: -298.020 where: short stacking energy: -178.398 Base-Backbone interact. energy: 4.782 local terms energy: -297.568455 where: bonds (distance) C4'-P energy: -78.857 bonds (distance) P-C4' energy: -96.918 flat angles C4'-P-C4' energy: -89.669 flat angles P-C4'-P energy: -29.919 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -525.762411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.762411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.762411 (E_RNA) where: Base-Base interactions energy: -268.738 where: short stacking energy: -138.505 Base-Backbone interact. energy: 4.906 local terms energy: -261.930901 where: bonds (distance) C4'-P energy: -92.141 bonds (distance) P-C4' energy: -88.270 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -41.260 tors. eta vs tors. theta energy: 30.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1724.344012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.344012 (E_RNA) where: Base-Base interactions energy: -1142.309 where: short stacking energy: -550.970 Base-Backbone interact. energy: -2.455 local terms energy: -579.579403 where: bonds (distance) C4'-P energy: -99.701 bonds (distance) P-C4' energy: -108.235 flat angles C4'-P-C4' energy: -124.067 flat angles P-C4'-P energy: -84.377 tors. eta vs tors. theta energy: -163.199 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: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1609.628389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.628389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.628389 (E_RNA) where: Base-Base interactions energy: -1053.490 where: short stacking energy: -477.390 Base-Backbone interact. energy: -4.788 local terms energy: -551.350040 where: bonds (distance) C4'-P energy: -100.637 bonds (distance) P-C4' energy: -120.414 flat angles C4'-P-C4' energy: -117.214 flat angles P-C4'-P energy: -85.387 tors. eta vs tors. theta energy: -127.699 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: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1473.683934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.683934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.683934 (E_RNA) where: Base-Base interactions energy: -958.570 where: short stacking energy: -486.451 Base-Backbone interact. energy: -1.286 local terms energy: -513.827752 where: bonds (distance) C4'-P energy: -98.956 bonds (distance) P-C4' energy: -95.437 flat angles C4'-P-C4' energy: -115.169 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -137.213 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: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1359.315329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.315329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.315329 (E_RNA) where: Base-Base interactions energy: -886.735 where: short stacking energy: -437.519 Base-Backbone interact. energy: -1.881 local terms energy: -470.698957 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -109.741 flat angles C4'-P-C4' energy: -99.153 flat angles P-C4'-P energy: -65.386 tors. eta vs tors. theta energy: -115.595 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: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1243.485706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.485706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.485706 (E_RNA) where: Base-Base interactions energy: -810.706 where: short stacking energy: -394.212 Base-Backbone interact. energy: 0.356 local terms energy: -433.136155 where: bonds (distance) C4'-P energy: -94.778 bonds (distance) P-C4' energy: -82.485 flat angles C4'-P-C4' energy: -106.443 flat angles P-C4'-P energy: -52.619 tors. eta vs tors. theta energy: -96.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1058.506019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.506019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.506019 (E_RNA) where: Base-Base interactions energy: -624.057 where: short stacking energy: -303.264 Base-Backbone interact. energy: 0.266 local terms energy: -434.715548 where: bonds (distance) C4'-P energy: -101.401 bonds (distance) P-C4' energy: -103.492 flat angles C4'-P-C4' energy: -93.557 flat angles P-C4'-P energy: -64.978 tors. eta vs tors. theta energy: -71.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -900.933260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.933260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.933260 (E_RNA) where: Base-Base interactions energy: -527.362 where: short stacking energy: -242.745 Base-Backbone interact. energy: -3.193 local terms energy: -370.378427 where: bonds (distance) C4'-P energy: -87.927 bonds (distance) P-C4' energy: -102.160 flat angles C4'-P-C4' energy: -91.584 flat angles P-C4'-P energy: -50.227 tors. eta vs tors. theta energy: -38.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -765.213933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.213933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.213933 (E_RNA) where: Base-Base interactions energy: -409.710 where: short stacking energy: -229.308 Base-Backbone interact. energy: 2.619 local terms energy: -358.123390 where: bonds (distance) C4'-P energy: -93.674 bonds (distance) P-C4' energy: -98.307 flat angles C4'-P-C4' energy: -102.494 flat angles P-C4'-P energy: -52.544 tors. eta vs tors. theta energy: -11.104 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: 1 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -628.083417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.083417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.083417 (E_RNA) where: Base-Base interactions energy: -305.971 where: short stacking energy: -183.149 Base-Backbone interact. energy: -1.453 local terms energy: -320.658878 where: bonds (distance) C4'-P energy: -95.036 bonds (distance) P-C4' energy: -97.602 flat angles C4'-P-C4' energy: -84.885 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: 1.792 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: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -553.936425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.936425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.936425 (E_RNA) where: Base-Base interactions energy: -247.910 where: short stacking energy: -172.907 Base-Backbone interact. energy: 2.528 local terms energy: -308.554743 where: bonds (distance) C4'-P energy: -79.207 bonds (distance) P-C4' energy: -107.406 flat angles C4'-P-C4' energy: -84.699 flat angles P-C4'-P energy: -39.088 tors. eta vs tors. theta energy: 1.845 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: 104 Temperature: 0.900000 Total energy: -1713.943164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.943164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.943164 (E_RNA) where: Base-Base interactions energy: -1122.494 where: short stacking energy: -562.575 Base-Backbone interact. energy: -1.922 local terms energy: -589.527185 where: bonds (distance) C4'-P energy: -111.009 bonds (distance) P-C4' energy: -111.323 flat angles C4'-P-C4' energy: -121.101 flat angles P-C4'-P energy: -84.253 tors. eta vs tors. theta energy: -161.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1635.466322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.466322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.466322 (E_RNA) where: Base-Base interactions energy: -1084.095 where: short stacking energy: -484.243 Base-Backbone interact. energy: -3.030 local terms energy: -548.340736 where: bonds (distance) C4'-P energy: -119.138 bonds (distance) P-C4' energy: -103.285 flat angles C4'-P-C4' energy: -127.691 flat angles P-C4'-P energy: -75.451 tors. eta vs tors. theta energy: -122.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1453.046481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.046481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.046481 (E_RNA) where: Base-Base interactions energy: -942.414 where: short stacking energy: -448.343 Base-Backbone interact. energy: 1.024 local terms energy: -511.656047 where: bonds (distance) C4'-P energy: -104.039 bonds (distance) P-C4' energy: -106.862 flat angles C4'-P-C4' energy: -111.386 flat angles P-C4'-P energy: -69.405 tors. eta vs tors. theta energy: -119.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1382.678545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.678545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.678545 (E_RNA) where: Base-Base interactions energy: -891.401 where: short stacking energy: -402.984 Base-Backbone interact. energy: -1.802 local terms energy: -489.475910 where: bonds (distance) C4'-P energy: -87.949 bonds (distance) P-C4' energy: -108.791 flat angles C4'-P-C4' energy: -106.370 flat angles P-C4'-P energy: -75.296 tors. eta vs tors. theta energy: -111.069 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: 104 Temperature: 1.100000 Total energy: -1255.358198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.358198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.358198 (E_RNA) where: Base-Base interactions energy: -748.714 where: short stacking energy: -354.331 Base-Backbone interact. energy: -3.651 local terms energy: -502.993307 where: bonds (distance) C4'-P energy: -107.212 bonds (distance) P-C4' energy: -110.863 flat angles C4'-P-C4' energy: -118.328 flat angles P-C4'-P energy: -70.246 tors. eta vs tors. theta energy: -96.344 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: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1018.094805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.094805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.094805 (E_RNA) where: Base-Base interactions energy: -597.860 where: short stacking energy: -305.348 Base-Backbone interact. energy: -1.003 local terms energy: -419.231557 where: bonds (distance) C4'-P energy: -91.724 bonds (distance) P-C4' energy: -90.366 flat angles C4'-P-C4' energy: -105.346 flat angles P-C4'-P energy: -70.704 tors. eta vs tors. theta energy: -61.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -943.017942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.017942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.017942 (E_RNA) where: Base-Base interactions energy: -551.797 where: short stacking energy: -269.422 Base-Backbone interact. energy: -1.473 local terms energy: -389.747238 where: bonds (distance) C4'-P energy: -96.341 bonds (distance) P-C4' energy: -102.725 flat angles C4'-P-C4' energy: -86.120 flat angles P-C4'-P energy: -63.144 tors. eta vs tors. theta energy: -41.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -792.894888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.894888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.894888 (E_RNA) where: Base-Base interactions energy: -428.938 where: short stacking energy: -219.279 Base-Backbone interact. energy: -7.316 local terms energy: -356.641223 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -114.356 flat angles C4'-P-C4' energy: -97.128 flat angles P-C4'-P energy: -48.239 tors. eta vs tors. theta energy: -19.988 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: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -633.256109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.256109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.256109 (E_RNA) where: Base-Base interactions energy: -307.219 where: short stacking energy: -202.077 Base-Backbone interact. energy: 3.464 local terms energy: -329.500862 where: bonds (distance) C4'-P energy: -89.390 bonds (distance) P-C4' energy: -91.676 flat angles C4'-P-C4' energy: -79.954 flat angles P-C4'-P energy: -58.701 tors. eta vs tors. theta energy: -9.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -550.618252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.618252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.618252 (E_RNA) where: Base-Base interactions energy: -260.858 where: short stacking energy: -149.099 Base-Backbone interact. energy: 1.872 local terms energy: -291.631583 where: bonds (distance) C4'-P energy: -93.506 bonds (distance) P-C4' energy: -81.805 flat angles C4'-P-C4' energy: -79.568 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: 12.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1729.859329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.859329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.859329 (E_RNA) where: Base-Base interactions energy: -1162.123 where: short stacking energy: -525.519 Base-Backbone interact. energy: -0.653 local terms energy: -567.083412 where: bonds (distance) C4'-P energy: -103.174 bonds (distance) P-C4' energy: -99.767 flat angles C4'-P-C4' energy: -120.137 flat angles P-C4'-P energy: -85.135 tors. eta vs tors. theta energy: -158.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1650.441694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.441694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.441694 (E_RNA) where: Base-Base interactions energy: -1088.463 where: short stacking energy: -493.165 Base-Backbone interact. energy: -1.102 local terms energy: -560.876248 where: bonds (distance) C4'-P energy: -103.905 bonds (distance) P-C4' energy: -107.638 flat angles C4'-P-C4' energy: -120.526 flat angles P-C4'-P energy: -87.668 tors. eta vs tors. theta energy: -141.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1457.650594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.650594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.650594 (E_RNA) where: Base-Base interactions energy: -937.721 where: short stacking energy: -454.650 Base-Backbone interact. energy: 0.431 local terms energy: -520.359916 where: bonds (distance) C4'-P energy: -108.261 bonds (distance) P-C4' energy: -96.303 flat angles C4'-P-C4' energy: -114.991 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -122.781 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: 105 Temperature: 1.050000 Total energy: -1394.708300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.708300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.708300 (E_RNA) where: Base-Base interactions energy: -899.265 where: short stacking energy: -405.242 Base-Backbone interact. energy: 4.169 local terms energy: -499.612070 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -104.706 flat angles C4'-P-C4' energy: -102.567 flat angles P-C4'-P energy: -74.481 tors. eta vs tors. theta energy: -110.625 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: 105 Temperature: 1.100000 Total energy: -1211.863850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.863850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.863850 (E_RNA) where: Base-Base interactions energy: -751.164 where: short stacking energy: -370.691 Base-Backbone interact. energy: -1.592 local terms energy: -459.108384 where: bonds (distance) C4'-P energy: -95.120 bonds (distance) P-C4' energy: -107.691 flat angles C4'-P-C4' energy: -114.898 flat angles P-C4'-P energy: -58.126 tors. eta vs tors. theta energy: -83.273 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: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1059.974612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.974612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.974612 (E_RNA) where: Base-Base interactions energy: -676.766 where: short stacking energy: -332.160 Base-Backbone interact. energy: -2.941 local terms energy: -380.267928 where: bonds (distance) C4'-P energy: -77.500 bonds (distance) P-C4' energy: -85.522 flat angles C4'-P-C4' energy: -89.335 flat angles P-C4'-P energy: -58.322 tors. eta vs tors. theta energy: -69.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -946.773758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.773758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.773758 (E_RNA) where: Base-Base interactions energy: -557.366 where: short stacking energy: -307.929 Base-Backbone interact. energy: -2.253 local terms energy: -387.154445 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -96.725 flat angles C4'-P-C4' energy: -84.713 flat angles P-C4'-P energy: -51.661 tors. eta vs tors. theta energy: -57.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -835.445378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.445378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.445378 (E_RNA) where: Base-Base interactions energy: -489.589 where: short stacking energy: -246.670 Base-Backbone interact. energy: -0.335 local terms energy: -345.521423 where: bonds (distance) C4'-P energy: -77.826 bonds (distance) P-C4' energy: -88.089 flat angles C4'-P-C4' energy: -97.619 flat angles P-C4'-P energy: -49.573 tors. eta vs tors. theta energy: -32.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -601.648188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.648188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.648188 (E_RNA) where: Base-Base interactions energy: -314.527 where: short stacking energy: -173.624 Base-Backbone interact. energy: -0.498 local terms energy: -286.623926 where: bonds (distance) C4'-P energy: -84.284 bonds (distance) P-C4' energy: -92.912 flat angles C4'-P-C4' energy: -75.114 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: 6.580 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: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -533.984218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.984218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.984218 (E_RNA) where: Base-Base interactions energy: -230.602 where: short stacking energy: -142.043 Base-Backbone interact. energy: 1.138 local terms energy: -304.520725 where: bonds (distance) C4'-P energy: -77.457 bonds (distance) P-C4' energy: -94.898 flat angles C4'-P-C4' energy: -83.686 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: 5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1737.574412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.574412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.574412 (E_RNA) where: Base-Base interactions energy: -1154.182 where: short stacking energy: -536.633 Base-Backbone interact. energy: -0.716 local terms energy: -582.675997 where: bonds (distance) C4'-P energy: -113.030 bonds (distance) P-C4' energy: -109.351 flat angles C4'-P-C4' energy: -125.284 flat angles P-C4'-P energy: -83.328 tors. eta vs tors. theta energy: -151.682 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: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1659.745965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.745965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.745965 (E_RNA) where: Base-Base interactions energy: -1097.120 where: short stacking energy: -499.880 Base-Backbone interact. energy: -8.151 local terms energy: -554.475264 where: bonds (distance) C4'-P energy: -105.888 bonds (distance) P-C4' energy: -107.165 flat angles C4'-P-C4' energy: -121.136 flat angles P-C4'-P energy: -85.633 tors. eta vs tors. theta energy: -134.652 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: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1465.037695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.037695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.037695 (E_RNA) where: Base-Base interactions energy: -926.652 where: short stacking energy: -445.205 Base-Backbone interact. energy: -2.475 local terms energy: -535.910212 where: bonds (distance) C4'-P energy: -98.609 bonds (distance) P-C4' energy: -116.568 flat angles C4'-P-C4' energy: -109.245 flat angles P-C4'-P energy: -88.592 tors. eta vs tors. theta energy: -122.897 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: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1385.595318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.595318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.595318 (E_RNA) where: Base-Base interactions energy: -878.799 where: short stacking energy: -413.824 Base-Backbone interact. energy: 1.693 local terms energy: -508.488497 where: bonds (distance) C4'-P energy: -108.233 bonds (distance) P-C4' energy: -103.897 flat angles C4'-P-C4' energy: -114.641 flat angles P-C4'-P energy: -72.785 tors. eta vs tors. theta energy: -108.932 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: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1184.917921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.917921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.917921 (E_RNA) where: Base-Base interactions energy: -731.419 where: short stacking energy: -371.351 Base-Backbone interact. energy: -1.526 local terms energy: -451.972848 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -104.863 flat angles C4'-P-C4' energy: -109.829 flat angles P-C4'-P energy: -62.124 tors. eta vs tors. theta energy: -77.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1010.243767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.243767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.243767 (E_RNA) where: Base-Base interactions energy: -619.117 where: short stacking energy: -294.879 Base-Backbone interact. energy: 2.060 local terms energy: -393.186003 where: bonds (distance) C4'-P energy: -87.393 bonds (distance) P-C4' energy: -104.982 flat angles C4'-P-C4' energy: -92.979 flat angles P-C4'-P energy: -52.202 tors. eta vs tors. theta energy: -55.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -924.083443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.083443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.083443 (E_RNA) where: Base-Base interactions energy: -515.674 where: short stacking energy: -252.422 Base-Backbone interact. energy: -1.034 local terms energy: -407.375775 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -109.834 flat angles C4'-P-C4' energy: -100.608 flat angles P-C4'-P energy: -66.255 tors. eta vs tors. theta energy: -41.972 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: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -868.645198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.645198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.645198 (E_RNA) where: Base-Base interactions energy: -504.988 where: short stacking energy: -270.902 Base-Backbone interact. energy: -1.336 local terms energy: -362.320572 where: bonds (distance) C4'-P energy: -70.122 bonds (distance) P-C4' energy: -78.960 flat angles C4'-P-C4' energy: -108.806 flat angles P-C4'-P energy: -68.365 tors. eta vs tors. theta energy: -36.067 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: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -614.300104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.300104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.300104 (E_RNA) where: Base-Base interactions energy: -270.114 where: short stacking energy: -176.029 Base-Backbone interact. energy: -0.931 local terms energy: -343.255583 where: bonds (distance) C4'-P energy: -93.136 bonds (distance) P-C4' energy: -107.733 flat angles C4'-P-C4' energy: -94.358 flat angles P-C4'-P energy: -30.040 tors. eta vs tors. theta energy: -17.989 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: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -541.346607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.346607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.346607 (E_RNA) where: Base-Base interactions energy: -238.613 where: short stacking energy: -155.587 Base-Backbone interact. energy: -3.308 local terms energy: -299.425224 where: bonds (distance) C4'-P energy: -92.056 bonds (distance) P-C4' energy: -85.161 flat angles C4'-P-C4' energy: -75.242 flat angles P-C4'-P energy: -53.604 tors. eta vs tors. theta energy: 6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1724.660316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.660316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.660316 (E_RNA) where: Base-Base interactions energy: -1133.194 where: short stacking energy: -514.558 Base-Backbone interact. energy: -2.310 local terms energy: -589.156052 where: bonds (distance) C4'-P energy: -112.413 bonds (distance) P-C4' energy: -110.703 flat angles C4'-P-C4' energy: -131.918 flat angles P-C4'-P energy: -79.385 tors. eta vs tors. theta energy: -154.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1661.890104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.890104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.890104 (E_RNA) where: Base-Base interactions energy: -1081.560 where: short stacking energy: -508.000 Base-Backbone interact. energy: -5.200 local terms energy: -575.130261 where: bonds (distance) C4'-P energy: -102.128 bonds (distance) P-C4' energy: -110.338 flat angles C4'-P-C4' energy: -118.734 flat angles P-C4'-P energy: -92.232 tors. eta vs tors. theta energy: -151.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1498.090882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.090882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.090882 (E_RNA) where: Base-Base interactions energy: -986.475 where: short stacking energy: -463.470 Base-Backbone interact. energy: 0.314 local terms energy: -511.930129 where: bonds (distance) C4'-P energy: -102.470 bonds (distance) P-C4' energy: -111.302 flat angles C4'-P-C4' energy: -94.561 flat angles P-C4'-P energy: -81.427 tors. eta vs tors. theta energy: -122.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1412.340121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.340121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.340121 (E_RNA) where: Base-Base interactions energy: -901.035 where: short stacking energy: -433.655 Base-Backbone interact. energy: 0.020 local terms energy: -511.325526 where: bonds (distance) C4'-P energy: -95.625 bonds (distance) P-C4' energy: -106.686 flat angles C4'-P-C4' energy: -111.776 flat angles P-C4'-P energy: -74.551 tors. eta vs tors. theta energy: -122.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1150.491364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.491364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.491364 (E_RNA) where: Base-Base interactions energy: -718.976 where: short stacking energy: -358.398 Base-Backbone interact. energy: -1.381 local terms energy: -430.134052 where: bonds (distance) C4'-P energy: -91.927 bonds (distance) P-C4' energy: -98.477 flat angles C4'-P-C4' energy: -99.793 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: -73.296 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: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1027.339567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.339567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.339567 (E_RNA) where: Base-Base interactions energy: -612.481 where: short stacking energy: -307.799 Base-Backbone interact. energy: 2.820 local terms energy: -417.678477 where: bonds (distance) C4'-P energy: -88.045 bonds (distance) P-C4' energy: -92.811 flat angles C4'-P-C4' energy: -105.003 flat angles P-C4'-P energy: -68.630 tors. eta vs tors. theta energy: -63.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -977.271701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.271701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.271701 (E_RNA) where: Base-Base interactions energy: -555.557 where: short stacking energy: -275.447 Base-Backbone interact. energy: -0.276 local terms energy: -421.438013 where: bonds (distance) C4'-P energy: -106.367 bonds (distance) P-C4' energy: -88.518 flat angles C4'-P-C4' energy: -99.684 flat angles P-C4'-P energy: -69.766 tors. eta vs tors. theta energy: -57.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -824.213533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.213533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.213533 (E_RNA) where: Base-Base interactions energy: -451.131 where: short stacking energy: -228.097 Base-Backbone interact. energy: -0.509 local terms energy: -372.573578 where: bonds (distance) C4'-P energy: -99.314 bonds (distance) P-C4' energy: -97.172 flat angles C4'-P-C4' energy: -98.130 flat angles P-C4'-P energy: -56.348 tors. eta vs tors. theta energy: -21.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -549.013437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.013437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.013437 (E_RNA) where: Base-Base interactions energy: -245.268 where: short stacking energy: -142.234 Base-Backbone interact. energy: -0.134 local terms energy: -303.612205 where: bonds (distance) C4'-P energy: -90.659 bonds (distance) P-C4' energy: -92.875 flat angles C4'-P-C4' energy: -88.017 flat angles P-C4'-P energy: -44.542 tors. eta vs tors. theta energy: 12.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -561.735359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.735359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.735359 (E_RNA) where: Base-Base interactions energy: -261.614 where: short stacking energy: -166.594 Base-Backbone interact. energy: 2.515 local terms energy: -302.636338 where: bonds (distance) C4'-P energy: -99.255 bonds (distance) P-C4' energy: -102.208 flat angles C4'-P-C4' energy: -68.097 flat angles P-C4'-P energy: -45.732 tors. eta vs tors. theta energy: 12.655 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: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1731.763736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.763736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.763736 (E_RNA) where: Base-Base interactions energy: -1149.619 where: short stacking energy: -538.821 Base-Backbone interact. energy: -3.271 local terms energy: -578.874282 where: bonds (distance) C4'-P energy: -97.190 bonds (distance) P-C4' energy: -118.901 flat angles C4'-P-C4' energy: -123.763 flat angles P-C4'-P energy: -84.072 tors. eta vs tors. theta energy: -154.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1703.421469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.421469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.421469 (E_RNA) where: Base-Base interactions energy: -1158.343 where: short stacking energy: -517.142 Base-Backbone interact. energy: -0.925 local terms energy: -544.153420 where: bonds (distance) C4'-P energy: -106.804 bonds (distance) P-C4' energy: -104.176 flat angles C4'-P-C4' energy: -121.950 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: -139.916 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: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1488.040420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.040420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.040420 (E_RNA) where: Base-Base interactions energy: -949.259 where: short stacking energy: -437.102 Base-Backbone interact. energy: -1.304 local terms energy: -537.477512 where: bonds (distance) C4'-P energy: -107.041 bonds (distance) P-C4' energy: -107.317 flat angles C4'-P-C4' energy: -113.667 flat angles P-C4'-P energy: -85.123 tors. eta vs tors. theta energy: -124.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1387.004063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.004063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.004063 (E_RNA) where: Base-Base interactions energy: -917.037 where: short stacking energy: -406.169 Base-Backbone interact. energy: -5.714 local terms energy: -464.253463 where: bonds (distance) C4'-P energy: -95.104 bonds (distance) P-C4' energy: -107.257 flat angles C4'-P-C4' energy: -108.372 flat angles P-C4'-P energy: -51.455 tors. eta vs tors. theta energy: -102.065 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: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1117.676175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.676175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.676175 (E_RNA) where: Base-Base interactions energy: -666.052 where: short stacking energy: -321.635 Base-Backbone interact. energy: -1.524 local terms energy: -450.099835 where: bonds (distance) C4'-P energy: -95.499 bonds (distance) P-C4' energy: -108.983 flat angles C4'-P-C4' energy: -105.489 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -65.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1049.687264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.687264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.687264 (E_RNA) where: Base-Base interactions energy: -638.706 where: short stacking energy: -321.660 Base-Backbone interact. energy: 0.206 local terms energy: -411.187683 where: bonds (distance) C4'-P energy: -94.997 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -96.203 flat angles P-C4'-P energy: -59.123 tors. eta vs tors. theta energy: -64.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -951.864721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.864721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.864721 (E_RNA) where: Base-Base interactions energy: -568.843 where: short stacking energy: -268.968 Base-Backbone interact. energy: 8.860 local terms energy: -391.881182 where: bonds (distance) C4'-P energy: -85.579 bonds (distance) P-C4' energy: -103.634 flat angles C4'-P-C4' energy: -100.154 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -46.972 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: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -849.136347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.136347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.136347 (E_RNA) where: Base-Base interactions energy: -480.534 where: short stacking energy: -259.130 Base-Backbone interact. energy: 4.733 local terms energy: -373.335026 where: bonds (distance) C4'-P energy: -97.588 bonds (distance) P-C4' energy: -93.685 flat angles C4'-P-C4' energy: -86.386 flat angles P-C4'-P energy: -52.793 tors. eta vs tors. theta energy: -42.883 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: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -597.780868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.780868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.780868 (E_RNA) where: Base-Base interactions energy: -291.946 where: short stacking energy: -177.688 Base-Backbone interact. energy: 1.513 local terms energy: -307.348072 where: bonds (distance) C4'-P energy: -76.822 bonds (distance) P-C4' energy: -106.024 flat angles C4'-P-C4' energy: -72.313 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: 0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -559.384288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.384288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.384288 (E_RNA) where: Base-Base interactions energy: -292.740 where: short stacking energy: -168.298 Base-Backbone interact. energy: 4.407 local terms energy: -271.050513 where: bonds (distance) C4'-P energy: -94.396 bonds (distance) P-C4' energy: -85.012 flat angles C4'-P-C4' energy: -61.688 flat angles P-C4'-P energy: -34.708 tors. eta vs tors. theta energy: 4.754 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: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1738.877281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.877281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.877281 (E_RNA) where: Base-Base interactions energy: -1167.767 where: short stacking energy: -529.425 Base-Backbone interact. energy: -1.806 local terms energy: -569.303933 where: bonds (distance) C4'-P energy: -98.087 bonds (distance) P-C4' energy: -107.594 flat angles C4'-P-C4' energy: -122.387 flat angles P-C4'-P energy: -75.923 tors. eta vs tors. theta energy: -165.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1645.158510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.158510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.158510 (E_RNA) where: Base-Base interactions energy: -1091.596 where: short stacking energy: -487.035 Base-Backbone interact. energy: -2.546 local terms energy: -551.016456 where: bonds (distance) C4'-P energy: -112.470 bonds (distance) P-C4' energy: -104.098 flat angles C4'-P-C4' energy: -123.577 flat angles P-C4'-P energy: -84.763 tors. eta vs tors. theta energy: -126.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1481.698099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.698099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.698099 (E_RNA) where: Base-Base interactions energy: -928.457 where: short stacking energy: -450.001 Base-Backbone interact. energy: -2.396 local terms energy: -550.845254 where: bonds (distance) C4'-P energy: -112.335 bonds (distance) P-C4' energy: -114.420 flat angles C4'-P-C4' energy: -121.432 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: -125.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1413.552225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.552225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.552225 (E_RNA) where: Base-Base interactions energy: -917.714 where: short stacking energy: -415.024 Base-Backbone interact. energy: -1.614 local terms energy: -494.224034 where: bonds (distance) C4'-P energy: -102.491 bonds (distance) P-C4' energy: -107.080 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -74.920 tors. eta vs tors. theta energy: -102.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1117.263651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.263651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.263651 (E_RNA) where: Base-Base interactions energy: -693.983 where: short stacking energy: -327.720 Base-Backbone interact. energy: -1.623 local terms energy: -421.658361 where: bonds (distance) C4'-P energy: -93.940 bonds (distance) P-C4' energy: -112.769 flat angles C4'-P-C4' energy: -103.681 flat angles P-C4'-P energy: -59.664 tors. eta vs tors. theta energy: -51.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1063.426749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.426749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.426749 (E_RNA) where: Base-Base interactions energy: -620.347 where: short stacking energy: -317.331 Base-Backbone interact. energy: -1.665 local terms energy: -441.414945 where: bonds (distance) C4'-P energy: -93.693 bonds (distance) P-C4' energy: -108.059 flat angles C4'-P-C4' energy: -106.698 flat angles P-C4'-P energy: -61.731 tors. eta vs tors. theta energy: -71.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -949.346486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.346486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.346486 (E_RNA) where: Base-Base interactions energy: -587.057 where: short stacking energy: -283.314 Base-Backbone interact. energy: 0.897 local terms energy: -363.186134 where: bonds (distance) C4'-P energy: -84.872 bonds (distance) P-C4' energy: -101.455 flat angles C4'-P-C4' energy: -94.109 flat angles P-C4'-P energy: -50.842 tors. eta vs tors. theta energy: -31.908 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: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -825.399150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.399150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.399150 (E_RNA) where: Base-Base interactions energy: -458.631 where: short stacking energy: -227.058 Base-Backbone interact. energy: -1.030 local terms energy: -365.738263 where: bonds (distance) C4'-P energy: -90.753 bonds (distance) P-C4' energy: -104.942 flat angles C4'-P-C4' energy: -86.208 flat angles P-C4'-P energy: -54.246 tors. eta vs tors. theta energy: -29.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -631.090510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.090510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.090510 (E_RNA) where: Base-Base interactions energy: -312.475 where: short stacking energy: -190.401 Base-Backbone interact. energy: -2.024 local terms energy: -316.592102 where: bonds (distance) C4'-P energy: -95.810 bonds (distance) P-C4' energy: -73.472 flat angles C4'-P-C4' energy: -79.672 flat angles P-C4'-P energy: -54.811 tors. eta vs tors. theta energy: -12.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -554.177591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.177591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.177591 (E_RNA) where: Base-Base interactions energy: -281.847 where: short stacking energy: -169.610 Base-Backbone interact. energy: 6.413 local terms energy: -278.744339 where: bonds (distance) C4'-P energy: -73.950 bonds (distance) P-C4' energy: -92.616 flat angles C4'-P-C4' energy: -76.586 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: 2.732 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: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1715.047563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.047563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.047563 (E_RNA) where: Base-Base interactions energy: -1125.237 where: short stacking energy: -548.509 Base-Backbone interact. energy: -0.276 local terms energy: -589.534036 where: bonds (distance) C4'-P energy: -105.125 bonds (distance) P-C4' energy: -103.189 flat angles C4'-P-C4' energy: -128.008 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -166.665 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: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1703.805650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.805650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.805650 (E_RNA) where: Base-Base interactions energy: -1135.387 where: short stacking energy: -491.930 Base-Backbone interact. energy: -4.592 local terms energy: -563.826531 where: bonds (distance) C4'-P energy: -107.894 bonds (distance) P-C4' energy: -111.481 flat angles C4'-P-C4' energy: -123.181 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -136.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1520.540571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.540571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.540571 (E_RNA) where: Base-Base interactions energy: -1017.027 where: short stacking energy: -478.566 Base-Backbone interact. energy: -1.973 local terms energy: -501.540748 where: bonds (distance) C4'-P energy: -83.373 bonds (distance) P-C4' energy: -103.691 flat angles C4'-P-C4' energy: -112.829 flat angles P-C4'-P energy: -66.034 tors. eta vs tors. theta energy: -135.614 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: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1393.880466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.880466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.880466 (E_RNA) where: Base-Base interactions energy: -891.200 where: short stacking energy: -432.997 Base-Backbone interact. energy: -0.927 local terms energy: -501.753211 where: bonds (distance) C4'-P energy: -99.603 bonds (distance) P-C4' energy: -94.450 flat angles C4'-P-C4' energy: -117.276 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -119.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1129.218218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.218218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.218218 (E_RNA) where: Base-Base interactions energy: -687.747 where: short stacking energy: -340.678 Base-Backbone interact. energy: 2.731 local terms energy: -444.201668 where: bonds (distance) C4'-P energy: -83.404 bonds (distance) P-C4' energy: -103.116 flat angles C4'-P-C4' energy: -113.053 flat angles P-C4'-P energy: -74.739 tors. eta vs tors. theta energy: -69.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1078.594225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.594225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.594225 (E_RNA) where: Base-Base interactions energy: -658.831 where: short stacking energy: -309.755 Base-Backbone interact. energy: -2.413 local terms energy: -417.350762 where: bonds (distance) C4'-P energy: -104.026 bonds (distance) P-C4' energy: -102.056 flat angles C4'-P-C4' energy: -87.901 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -54.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -974.947595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.947595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.947595 (E_RNA) where: Base-Base interactions energy: -560.073 where: short stacking energy: -284.281 Base-Backbone interact. energy: 1.916 local terms energy: -416.789648 where: bonds (distance) C4'-P energy: -102.536 bonds (distance) P-C4' energy: -98.326 flat angles C4'-P-C4' energy: -96.729 flat angles P-C4'-P energy: -58.568 tors. eta vs tors. theta energy: -60.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -846.283496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.283496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.283496 (E_RNA) where: Base-Base interactions energy: -498.052 where: short stacking energy: -271.329 Base-Backbone interact. energy: -1.601 local terms energy: -346.630015 where: bonds (distance) C4'-P energy: -90.089 bonds (distance) P-C4' energy: -78.192 flat angles C4'-P-C4' energy: -95.416 flat angles P-C4'-P energy: -55.473 tors. eta vs tors. theta energy: -27.460 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: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -614.668622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.668622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.668622 (E_RNA) where: Base-Base interactions energy: -299.105 where: short stacking energy: -186.956 Base-Backbone interact. energy: -3.070 local terms energy: -312.493541 where: bonds (distance) C4'-P energy: -96.689 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -85.264 flat angles P-C4'-P energy: -39.056 tors. eta vs tors. theta energy: 1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -556.609629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.609629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.609629 (E_RNA) where: Base-Base interactions energy: -258.626 where: short stacking energy: -154.787 Base-Backbone interact. energy: 7.964 local terms energy: -305.948549 where: bonds (distance) C4'-P energy: -86.710 bonds (distance) P-C4' energy: -88.501 flat angles C4'-P-C4' energy: -84.449 flat angles P-C4'-P energy: -38.580 tors. eta vs tors. theta energy: -7.708 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: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1738.623815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.623815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.623815 (E_RNA) where: Base-Base interactions energy: -1145.275 where: short stacking energy: -562.557 Base-Backbone interact. energy: -3.296 local terms energy: -590.052751 where: bonds (distance) C4'-P energy: -102.484 bonds (distance) P-C4' energy: -110.783 flat angles C4'-P-C4' energy: -129.314 flat angles P-C4'-P energy: -74.519 tors. eta vs tors. theta energy: -172.953 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: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1672.784413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.784413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.784413 (E_RNA) where: Base-Base interactions energy: -1118.899 where: short stacking energy: -485.123 Base-Backbone interact. energy: -5.251 local terms energy: -548.634508 where: bonds (distance) C4'-P energy: -105.422 bonds (distance) P-C4' energy: -102.640 flat angles C4'-P-C4' energy: -122.876 flat angles P-C4'-P energy: -74.332 tors. eta vs tors. theta energy: -143.365 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: 111 Temperature: 1.000000 Total energy: -1451.566330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.566330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.566330 (E_RNA) where: Base-Base interactions energy: -939.549 where: short stacking energy: -445.871 Base-Backbone interact. energy: -1.113 local terms energy: -510.903754 where: bonds (distance) C4'-P energy: -102.764 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -108.524 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: -121.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1413.839593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.839593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.839593 (E_RNA) where: Base-Base interactions energy: -924.553 where: short stacking energy: -446.697 Base-Backbone interact. energy: -1.691 local terms energy: -487.595301 where: bonds (distance) C4'-P energy: -99.340 bonds (distance) P-C4' energy: -100.889 flat angles C4'-P-C4' energy: -107.530 flat angles P-C4'-P energy: -59.625 tors. eta vs tors. theta energy: -120.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1141.945840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.945840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.945840 (E_RNA) where: Base-Base interactions energy: -695.922 where: short stacking energy: -346.599 Base-Backbone interact. energy: -3.171 local terms energy: -442.852896 where: bonds (distance) C4'-P energy: -87.203 bonds (distance) P-C4' energy: -103.389 flat angles C4'-P-C4' energy: -104.800 flat angles P-C4'-P energy: -72.205 tors. eta vs tors. theta energy: -75.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1086.251756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.251756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.251756 (E_RNA) where: Base-Base interactions energy: -651.422 where: short stacking energy: -328.610 Base-Backbone interact. energy: 0.417 local terms energy: -435.247102 where: bonds (distance) C4'-P energy: -98.659 bonds (distance) P-C4' energy: -100.692 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -64.536 tors. eta vs tors. theta energy: -67.914 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: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -969.784563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.784563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.784563 (E_RNA) where: Base-Base interactions energy: -592.776 where: short stacking energy: -290.940 Base-Backbone interact. energy: -0.107 local terms energy: -376.900670 where: bonds (distance) C4'-P energy: -98.229 bonds (distance) P-C4' energy: -94.826 flat angles C4'-P-C4' energy: -85.433 flat angles P-C4'-P energy: -51.504 tors. eta vs tors. theta energy: -46.910 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: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -839.643498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.643498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.643498 (E_RNA) where: Base-Base interactions energy: -459.463 where: short stacking energy: -232.805 Base-Backbone interact. energy: -1.948 local terms energy: -378.231698 where: bonds (distance) C4'-P energy: -79.658 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -85.741 flat angles P-C4'-P energy: -83.744 tors. eta vs tors. theta energy: -35.453 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: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -582.803987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.803987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.803987 (E_RNA) where: Base-Base interactions energy: -275.619 where: short stacking energy: -181.659 Base-Backbone interact. energy: -0.349 local terms energy: -306.835931 where: bonds (distance) C4'-P energy: -80.141 bonds (distance) P-C4' energy: -94.368 flat angles C4'-P-C4' energy: -80.588 flat angles P-C4'-P energy: -45.079 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -612.887038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.887038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.887038 (E_RNA) where: Base-Base interactions energy: -288.168 where: short stacking energy: -183.274 Base-Backbone interact. energy: 2.657 local terms energy: -327.376359 where: bonds (distance) C4'-P energy: -97.715 bonds (distance) P-C4' energy: -87.239 flat angles C4'-P-C4' energy: -86.966 flat angles P-C4'-P energy: -56.941 tors. eta vs tors. theta energy: 1.484 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: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1765.541509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.541509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.541509 (E_RNA) where: Base-Base interactions energy: -1176.720 where: short stacking energy: -565.651 Base-Backbone interact. energy: -2.981 local terms energy: -585.841446 where: bonds (distance) C4'-P energy: -98.192 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -125.572 flat angles P-C4'-P energy: -83.807 tors. eta vs tors. theta energy: -169.405 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: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1668.213295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.213295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.213295 (E_RNA) where: Base-Base interactions energy: -1124.450 where: short stacking energy: -493.920 Base-Backbone interact. energy: -2.397 local terms energy: -541.365943 where: bonds (distance) C4'-P energy: -116.431 bonds (distance) P-C4' energy: -97.452 flat angles C4'-P-C4' energy: -103.771 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -138.509 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: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1468.309960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.309960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.309960 (E_RNA) where: Base-Base interactions energy: -940.571 where: short stacking energy: -442.897 Base-Backbone interact. energy: -1.644 local terms energy: -526.094891 where: bonds (distance) C4'-P energy: -103.325 bonds (distance) P-C4' energy: -105.008 flat angles C4'-P-C4' energy: -115.063 flat angles P-C4'-P energy: -75.211 tors. eta vs tors. theta energy: -127.487 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: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1443.919138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.919138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.919138 (E_RNA) where: Base-Base interactions energy: -933.068 where: short stacking energy: -419.149 Base-Backbone interact. energy: -2.396 local terms energy: -508.455176 where: bonds (distance) C4'-P energy: -102.136 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -102.945 flat angles P-C4'-P energy: -76.726 tors. eta vs tors. theta energy: -115.372 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: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1190.516794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.516794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.516794 (E_RNA) where: Base-Base interactions energy: -745.681 where: short stacking energy: -347.799 Base-Backbone interact. energy: -4.287 local terms energy: -440.548058 where: bonds (distance) C4'-P energy: -90.238 bonds (distance) P-C4' energy: -100.517 flat angles C4'-P-C4' energy: -103.830 flat angles P-C4'-P energy: -74.627 tors. eta vs tors. theta energy: -71.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1056.334096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.334096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.334096 (E_RNA) where: Base-Base interactions energy: -641.322 where: short stacking energy: -335.604 Base-Backbone interact. energy: 1.253 local terms energy: -416.264602 where: bonds (distance) C4'-P energy: -83.998 bonds (distance) P-C4' energy: -99.588 flat angles C4'-P-C4' energy: -96.800 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -70.541 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: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -947.141968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.141968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.141968 (E_RNA) where: Base-Base interactions energy: -551.915 where: short stacking energy: -245.561 Base-Backbone interact. energy: 0.463 local terms energy: -395.690279 where: bonds (distance) C4'-P energy: -104.589 bonds (distance) P-C4' energy: -109.936 flat angles C4'-P-C4' energy: -93.385 flat angles P-C4'-P energy: -59.636 tors. eta vs tors. theta energy: -28.144 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: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -824.834696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.834696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.834696 (E_RNA) where: Base-Base interactions energy: -456.300 where: short stacking energy: -209.124 Base-Backbone interact. energy: -0.404 local terms energy: -368.130642 where: bonds (distance) C4'-P energy: -79.659 bonds (distance) P-C4' energy: -98.576 flat angles C4'-P-C4' energy: -95.998 flat angles P-C4'-P energy: -61.565 tors. eta vs tors. theta energy: -32.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -649.634456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.634456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.634456 (E_RNA) where: Base-Base interactions energy: -332.643 where: short stacking energy: -204.485 Base-Backbone interact. energy: 1.497 local terms energy: -318.488664 where: bonds (distance) C4'-P energy: -94.271 bonds (distance) P-C4' energy: -100.542 flat angles C4'-P-C4' energy: -73.305 flat angles P-C4'-P energy: -49.904 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -614.021685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.021685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.021685 (E_RNA) where: Base-Base interactions energy: -293.143 where: short stacking energy: -166.939 Base-Backbone interact. energy: -0.102 local terms energy: -320.777371 where: bonds (distance) C4'-P energy: -96.492 bonds (distance) P-C4' energy: -91.637 flat angles C4'-P-C4' energy: -68.014 flat angles P-C4'-P energy: -60.212 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1734.876528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.876528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.876528 (E_RNA) where: Base-Base interactions energy: -1144.952 where: short stacking energy: -541.975 Base-Backbone interact. energy: -3.546 local terms energy: -586.378433 where: bonds (distance) C4'-P energy: -107.675 bonds (distance) P-C4' energy: -113.820 flat angles C4'-P-C4' energy: -113.162 flat angles P-C4'-P energy: -88.870 tors. eta vs tors. theta energy: -162.852 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: 2, replica: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1675.021056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.021056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.021056 (E_RNA) where: Base-Base interactions energy: -1110.742 where: short stacking energy: -494.637 Base-Backbone interact. energy: -9.140 local terms energy: -555.138800 where: bonds (distance) C4'-P energy: -99.087 bonds (distance) P-C4' energy: -109.158 flat angles C4'-P-C4' energy: -113.027 flat angles P-C4'-P energy: -88.591 tors. eta vs tors. theta energy: -145.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1485.347510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.347510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.347510 (E_RNA) where: Base-Base interactions energy: -936.377 where: short stacking energy: -478.128 Base-Backbone interact. energy: -1.117 local terms energy: -547.853379 where: bonds (distance) C4'-P energy: -108.326 bonds (distance) P-C4' energy: -99.528 flat angles C4'-P-C4' energy: -126.666 flat angles P-C4'-P energy: -84.448 tors. eta vs tors. theta energy: -128.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1423.230464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.230464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.230464 (E_RNA) where: Base-Base interactions energy: -914.775 where: short stacking energy: -418.682 Base-Backbone interact. energy: -4.279 local terms energy: -504.176376 where: bonds (distance) C4'-P energy: -98.887 bonds (distance) P-C4' energy: -104.904 flat angles C4'-P-C4' energy: -120.923 flat angles P-C4'-P energy: -65.478 tors. eta vs tors. theta energy: -113.986 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: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1180.025824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.025824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.025824 (E_RNA) where: Base-Base interactions energy: -756.630 where: short stacking energy: -335.252 Base-Backbone interact. energy: -3.157 local terms energy: -420.238577 where: bonds (distance) C4'-P energy: -94.964 bonds (distance) P-C4' energy: -102.067 flat angles C4'-P-C4' energy: -106.552 flat angles P-C4'-P energy: -51.769 tors. eta vs tors. theta energy: -64.887 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: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1070.301118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.301118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.301118 (E_RNA) where: Base-Base interactions energy: -641.219 where: short stacking energy: -301.507 Base-Backbone interact. energy: -4.320 local terms energy: -424.762485 where: bonds (distance) C4'-P energy: -91.438 bonds (distance) P-C4' energy: -108.499 flat angles C4'-P-C4' energy: -114.185 flat angles P-C4'-P energy: -51.045 tors. eta vs tors. theta energy: -59.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -957.586549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.586549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.586549 (E_RNA) where: Base-Base interactions energy: -575.913 where: short stacking energy: -297.929 Base-Backbone interact. energy: -0.133 local terms energy: -381.541041 where: bonds (distance) C4'-P energy: -75.500 bonds (distance) P-C4' energy: -82.967 flat angles C4'-P-C4' energy: -97.855 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -51.829 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: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -851.069181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.069181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.069181 (E_RNA) where: Base-Base interactions energy: -463.847 where: short stacking energy: -247.951 Base-Backbone interact. energy: 1.223 local terms energy: -388.445119 where: bonds (distance) C4'-P energy: -91.105 bonds (distance) P-C4' energy: -109.599 flat angles C4'-P-C4' energy: -94.136 flat angles P-C4'-P energy: -64.917 tors. eta vs tors. theta energy: -28.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -594.923884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.923884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.923884 (E_RNA) where: Base-Base interactions energy: -260.227 where: short stacking energy: -162.913 Base-Backbone interact. energy: 0.206 local terms energy: -334.902831 where: bonds (distance) C4'-P energy: -100.696 bonds (distance) P-C4' energy: -96.776 flat angles C4'-P-C4' energy: -77.472 flat angles P-C4'-P energy: -54.406 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -567.157707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.157707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.157707 (E_RNA) where: Base-Base interactions energy: -260.751 where: short stacking energy: -146.911 Base-Backbone interact. energy: 1.138 local terms energy: -307.544484 where: bonds (distance) C4'-P energy: -83.484 bonds (distance) P-C4' energy: -105.473 flat angles C4'-P-C4' energy: -61.086 flat angles P-C4'-P energy: -57.592 tors. eta vs tors. theta energy: 0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1733.821791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.821791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.821791 (E_RNA) where: Base-Base interactions energy: -1135.306 where: short stacking energy: -550.564 Base-Backbone interact. energy: 1.504 local terms energy: -600.018927 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -116.438 flat angles C4'-P-C4' energy: -123.888 flat angles P-C4'-P energy: -88.180 tors. eta vs tors. theta energy: -157.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1617.301038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.301038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.301038 (E_RNA) where: Base-Base interactions energy: -1088.027 where: short stacking energy: -467.904 Base-Backbone interact. energy: -2.181 local terms energy: -527.093127 where: bonds (distance) C4'-P energy: -102.642 bonds (distance) P-C4' energy: -112.006 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -66.785 tors. eta vs tors. theta energy: -130.186 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: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1461.968803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.968803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.968803 (E_RNA) where: Base-Base interactions energy: -943.010 where: short stacking energy: -444.083 Base-Backbone interact. energy: 0.142 local terms energy: -519.100421 where: bonds (distance) C4'-P energy: -100.721 bonds (distance) P-C4' energy: -109.501 flat angles C4'-P-C4' energy: -119.535 flat angles P-C4'-P energy: -77.213 tors. eta vs tors. theta energy: -112.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1443.361568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.361568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.361568 (E_RNA) where: Base-Base interactions energy: -965.042 where: short stacking energy: -428.502 Base-Backbone interact. energy: -1.409 local terms energy: -476.910787 where: bonds (distance) C4'-P energy: -87.680 bonds (distance) P-C4' energy: -107.562 flat angles C4'-P-C4' energy: -104.904 flat angles P-C4'-P energy: -66.960 tors. eta vs tors. theta energy: -109.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1284.404231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.404231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.404231 (E_RNA) where: Base-Base interactions energy: -787.183 where: short stacking energy: -387.529 Base-Backbone interact. energy: -5.486 local terms energy: -491.735444 where: bonds (distance) C4'-P energy: -119.605 bonds (distance) P-C4' energy: -115.926 flat angles C4'-P-C4' energy: -104.861 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -89.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1118.875457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.875457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.875457 (E_RNA) where: Base-Base interactions energy: -699.946 where: short stacking energy: -340.630 Base-Backbone interact. energy: -1.982 local terms energy: -416.947501 where: bonds (distance) C4'-P energy: -99.005 bonds (distance) P-C4' energy: -91.707 flat angles C4'-P-C4' energy: -96.980 flat angles P-C4'-P energy: -59.830 tors. eta vs tors. theta energy: -69.425 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: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -974.987578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.987578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.987578 (E_RNA) where: Base-Base interactions energy: -558.596 where: short stacking energy: -260.982 Base-Backbone interact. energy: -1.670 local terms energy: -414.721740 where: bonds (distance) C4'-P energy: -97.661 bonds (distance) P-C4' energy: -104.954 flat angles C4'-P-C4' energy: -102.295 flat angles P-C4'-P energy: -63.111 tors. eta vs tors. theta energy: -46.701 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: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -814.136211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.136211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.136211 (E_RNA) where: Base-Base interactions energy: -460.470 where: short stacking energy: -249.469 Base-Backbone interact. energy: 2.256 local terms energy: -355.922192 where: bonds (distance) C4'-P energy: -94.412 bonds (distance) P-C4' energy: -98.370 flat angles C4'-P-C4' energy: -81.174 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -29.819 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: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -606.037135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.037135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.037135 (E_RNA) where: Base-Base interactions energy: -274.258 where: short stacking energy: -184.449 Base-Backbone interact. energy: -2.110 local terms energy: -329.668780 where: bonds (distance) C4'-P energy: -89.685 bonds (distance) P-C4' energy: -92.259 flat angles C4'-P-C4' energy: -85.697 flat angles P-C4'-P energy: -47.175 tors. eta vs tors. theta energy: -14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -558.038070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.038070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.038070 (E_RNA) where: Base-Base interactions energy: -249.148 where: short stacking energy: -156.751 Base-Backbone interact. energy: -0.724 local terms energy: -308.165794 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -97.614 flat angles C4'-P-C4' energy: -85.661 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: 2.208 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: 115 Temperature: 0.900000 Total energy: -1747.240128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.240128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.240128 (E_RNA) where: Base-Base interactions energy: -1133.297 where: short stacking energy: -533.960 Base-Backbone interact. energy: -6.297 local terms energy: -607.646774 where: bonds (distance) C4'-P energy: -117.281 bonds (distance) P-C4' energy: -109.766 flat angles C4'-P-C4' energy: -124.928 flat angles P-C4'-P energy: -88.700 tors. eta vs tors. theta energy: -166.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1625.279037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.279037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.279037 (E_RNA) where: Base-Base interactions energy: -1076.196 where: short stacking energy: -476.732 Base-Backbone interact. energy: -2.683 local terms energy: -546.400262 where: bonds (distance) C4'-P energy: -100.612 bonds (distance) P-C4' energy: -117.222 flat angles C4'-P-C4' energy: -119.590 flat angles P-C4'-P energy: -69.317 tors. eta vs tors. theta energy: -139.660 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: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1487.359740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.359740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.359740 (E_RNA) where: Base-Base interactions energy: -970.509 where: short stacking energy: -465.191 Base-Backbone interact. energy: 0.572 local terms energy: -517.423036 where: bonds (distance) C4'-P energy: -95.331 bonds (distance) P-C4' energy: -104.276 flat angles C4'-P-C4' energy: -115.637 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -135.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1438.517092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.517092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.517092 (E_RNA) where: Base-Base interactions energy: -940.933 where: short stacking energy: -418.984 Base-Backbone interact. energy: -3.084 local terms energy: -494.499463 where: bonds (distance) C4'-P energy: -94.206 bonds (distance) P-C4' energy: -107.746 flat angles C4'-P-C4' energy: -111.797 flat angles P-C4'-P energy: -74.706 tors. eta vs tors. theta energy: -106.045 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: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1235.316984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.316984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.316984 (E_RNA) where: Base-Base interactions energy: -751.245 where: short stacking energy: -372.001 Base-Backbone interact. energy: -2.164 local terms energy: -481.907883 where: bonds (distance) C4'-P energy: -103.356 bonds (distance) P-C4' energy: -111.047 flat angles C4'-P-C4' energy: -112.241 flat angles P-C4'-P energy: -64.822 tors. eta vs tors. theta energy: -90.442 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: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1111.694897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.694897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.694897 (E_RNA) where: Base-Base interactions energy: -673.587 where: short stacking energy: -311.697 Base-Backbone interact. energy: -0.705 local terms energy: -437.402873 where: bonds (distance) C4'-P energy: -89.014 bonds (distance) P-C4' energy: -101.418 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -65.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -976.689951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.689951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.689951 (E_RNA) where: Base-Base interactions energy: -572.045 where: short stacking energy: -268.287 Base-Backbone interact. energy: 2.125 local terms energy: -406.770247 where: bonds (distance) C4'-P energy: -105.382 bonds (distance) P-C4' energy: -96.885 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -53.604 tors. eta vs tors. theta energy: -51.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -868.336626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.336626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.336626 (E_RNA) where: Base-Base interactions energy: -504.181 where: short stacking energy: -238.835 Base-Backbone interact. energy: -2.147 local terms energy: -362.008877 where: bonds (distance) C4'-P energy: -94.801 bonds (distance) P-C4' energy: -101.613 flat angles C4'-P-C4' energy: -75.558 flat angles P-C4'-P energy: -44.956 tors. eta vs tors. theta energy: -45.081 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: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -623.279268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.279268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.279268 (E_RNA) where: Base-Base interactions energy: -313.002 where: short stacking energy: -184.330 Base-Backbone interact. energy: -2.459 local terms energy: -307.817725 where: bonds (distance) C4'-P energy: -91.819 bonds (distance) P-C4' energy: -93.073 flat angles C4'-P-C4' energy: -82.834 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: 6.257 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: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -537.344227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.344227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.344227 (E_RNA) where: Base-Base interactions energy: -253.638 where: short stacking energy: -173.077 Base-Backbone interact. energy: 0.418 local terms energy: -284.124854 where: bonds (distance) C4'-P energy: -69.376 bonds (distance) P-C4' energy: -91.874 flat angles C4'-P-C4' energy: -95.036 flat angles P-C4'-P energy: -43.774 tors. eta vs tors. theta energy: 15.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1737.717604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.717604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.717604 (E_RNA) where: Base-Base interactions energy: -1158.077 where: short stacking energy: -537.100 Base-Backbone interact. energy: -6.375 local terms energy: -573.265853 where: bonds (distance) C4'-P energy: -106.844 bonds (distance) P-C4' energy: -102.507 flat angles C4'-P-C4' energy: -120.438 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -165.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1658.006587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.006587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.006587 (E_RNA) where: Base-Base interactions energy: -1094.183 where: short stacking energy: -479.780 Base-Backbone interact. energy: -4.142 local terms energy: -559.681849 where: bonds (distance) C4'-P energy: -95.794 bonds (distance) P-C4' energy: -121.041 flat angles C4'-P-C4' energy: -123.613 flat angles P-C4'-P energy: -75.641 tors. eta vs tors. theta energy: -143.593 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: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1504.932868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.932868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.932868 (E_RNA) where: Base-Base interactions energy: -983.773 where: short stacking energy: -454.531 Base-Backbone interact. energy: -1.658 local terms energy: -519.501715 where: bonds (distance) C4'-P energy: -90.908 bonds (distance) P-C4' energy: -108.827 flat angles C4'-P-C4' energy: -115.632 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: -125.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1442.598166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.598166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.598166 (E_RNA) where: Base-Base interactions energy: -951.722 where: short stacking energy: -430.566 Base-Backbone interact. energy: -1.089 local terms energy: -489.786454 where: bonds (distance) C4'-P energy: -90.255 bonds (distance) P-C4' energy: -113.773 flat angles C4'-P-C4' energy: -108.052 flat angles P-C4'-P energy: -60.886 tors. eta vs tors. theta energy: -116.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1216.673198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.673198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.673198 (E_RNA) where: Base-Base interactions energy: -745.909 where: short stacking energy: -366.705 Base-Backbone interact. energy: -1.789 local terms energy: -468.974983 where: bonds (distance) C4'-P energy: -103.754 bonds (distance) P-C4' energy: -103.123 flat angles C4'-P-C4' energy: -108.132 flat angles P-C4'-P energy: -75.867 tors. eta vs tors. theta energy: -78.098 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: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1191.086252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.086252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.086252 (E_RNA) where: Base-Base interactions energy: -755.781 where: short stacking energy: -351.984 Base-Backbone interact. energy: -0.110 local terms energy: -435.194428 where: bonds (distance) C4'-P energy: -94.884 bonds (distance) P-C4' energy: -107.663 flat angles C4'-P-C4' energy: -105.268 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -67.309 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: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -920.163021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.163021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.163021 (E_RNA) where: Base-Base interactions energy: -522.107 where: short stacking energy: -254.642 Base-Backbone interact. energy: 2.476 local terms energy: -400.532317 where: bonds (distance) C4'-P energy: -103.570 bonds (distance) P-C4' energy: -103.286 flat angles C4'-P-C4' energy: -95.021 flat angles P-C4'-P energy: -69.245 tors. eta vs tors. theta energy: -29.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -888.788959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.788959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.788959 (E_RNA) where: Base-Base interactions energy: -504.590 where: short stacking energy: -244.633 Base-Backbone interact. energy: 0.590 local terms energy: -384.789062 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -114.696 flat angles C4'-P-C4' energy: -93.906 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -32.464 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: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -606.391403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.391403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.391403 (E_RNA) where: Base-Base interactions energy: -278.382 where: short stacking energy: -158.921 Base-Backbone interact. energy: -2.220 local terms energy: -325.790088 where: bonds (distance) C4'-P energy: -89.110 bonds (distance) P-C4' energy: -94.328 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -58.196 tors. eta vs tors. theta energy: -3.808 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: 116 Temperature: 1.350000 Total energy: -563.210840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.210840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.210840 (E_RNA) where: Base-Base interactions energy: -268.925 where: short stacking energy: -180.300 Base-Backbone interact. energy: -2.111 local terms energy: -292.174833 where: bonds (distance) C4'-P energy: -91.246 bonds (distance) P-C4' energy: -78.120 flat angles C4'-P-C4' energy: -61.997 flat angles P-C4'-P energy: -55.905 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1740.479435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.479435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.479435 (E_RNA) where: Base-Base interactions energy: -1157.156 where: short stacking energy: -583.490 Base-Backbone interact. energy: -3.059 local terms energy: -580.264687 where: bonds (distance) C4'-P energy: -90.249 bonds (distance) P-C4' energy: -104.517 flat angles C4'-P-C4' energy: -123.443 flat angles P-C4'-P energy: -89.386 tors. eta vs tors. theta energy: -172.670 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: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1673.001985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.001985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.001985 (E_RNA) where: Base-Base interactions energy: -1107.306 where: short stacking energy: -499.619 Base-Backbone interact. energy: -1.447 local terms energy: -564.249246 where: bonds (distance) C4'-P energy: -114.324 bonds (distance) P-C4' energy: -122.145 flat angles C4'-P-C4' energy: -115.039 flat angles P-C4'-P energy: -74.917 tors. eta vs tors. theta energy: -137.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1560.228105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.228105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.228105 (E_RNA) where: Base-Base interactions energy: -1028.424 where: short stacking energy: -483.065 Base-Backbone interact. energy: -1.430 local terms energy: -530.374294 where: bonds (distance) C4'-P energy: -106.441 bonds (distance) P-C4' energy: -108.493 flat angles C4'-P-C4' energy: -110.231 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -142.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1422.942077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.942077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.942077 (E_RNA) where: Base-Base interactions energy: -943.817 where: short stacking energy: -444.219 Base-Backbone interact. energy: -2.028 local terms energy: -477.096982 where: bonds (distance) C4'-P energy: -88.049 bonds (distance) P-C4' energy: -95.858 flat angles C4'-P-C4' energy: -120.773 flat angles P-C4'-P energy: -69.700 tors. eta vs tors. theta energy: -102.717 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: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1193.431763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.431763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.431763 (E_RNA) where: Base-Base interactions energy: -754.902 where: short stacking energy: -335.862 Base-Backbone interact. energy: -4.300 local terms energy: -434.229859 where: bonds (distance) C4'-P energy: -86.483 bonds (distance) P-C4' energy: -90.751 flat angles C4'-P-C4' energy: -101.241 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -81.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1161.368307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.368307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.368307 (E_RNA) where: Base-Base interactions energy: -741.624 where: short stacking energy: -322.391 Base-Backbone interact. energy: -0.080 local terms energy: -419.663948 where: bonds (distance) C4'-P energy: -106.417 bonds (distance) P-C4' energy: -101.634 flat angles C4'-P-C4' energy: -104.553 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -62.530 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: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -980.750834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.750834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.750834 (E_RNA) where: Base-Base interactions energy: -567.922 where: short stacking energy: -288.291 Base-Backbone interact. energy: -0.058 local terms energy: -412.771269 where: bonds (distance) C4'-P energy: -93.825 bonds (distance) P-C4' energy: -94.124 flat angles C4'-P-C4' energy: -99.826 flat angles P-C4'-P energy: -66.712 tors. eta vs tors. theta energy: -58.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -885.193726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.193726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.193726 (E_RNA) where: Base-Base interactions energy: -515.234 where: short stacking energy: -256.367 Base-Backbone interact. energy: 4.081 local terms energy: -374.040498 where: bonds (distance) C4'-P energy: -102.086 bonds (distance) P-C4' energy: -102.091 flat angles C4'-P-C4' energy: -70.970 flat angles P-C4'-P energy: -51.806 tors. eta vs tors. theta energy: -47.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -610.993558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.993558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.993558 (E_RNA) where: Base-Base interactions energy: -312.583 where: short stacking energy: -184.900 Base-Backbone interact. energy: -1.149 local terms energy: -297.261994 where: bonds (distance) C4'-P energy: -83.769 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -73.563 flat angles P-C4'-P energy: -45.534 tors. eta vs tors. theta energy: 2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -591.000036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.000036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.000036 (E_RNA) where: Base-Base interactions energy: -277.545 where: short stacking energy: -169.938 Base-Backbone interact. energy: -1.642 local terms energy: -311.812932 where: bonds (distance) C4'-P energy: -81.669 bonds (distance) P-C4' energy: -89.418 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -58.118 tors. eta vs tors. theta energy: 6.284 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: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1705.320735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.320735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.320735 (E_RNA) where: Base-Base interactions energy: -1127.787 where: short stacking energy: -540.253 Base-Backbone interact. energy: -0.723 local terms energy: -576.810722 where: bonds (distance) C4'-P energy: -104.474 bonds (distance) P-C4' energy: -114.333 flat angles C4'-P-C4' energy: -125.261 flat angles P-C4'-P energy: -80.292 tors. eta vs tors. theta energy: -152.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1709.094273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.094273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.094273 (E_RNA) where: Base-Base interactions energy: -1145.572 where: short stacking energy: -493.803 Base-Backbone interact. energy: -5.412 local terms energy: -558.110219 where: bonds (distance) C4'-P energy: -92.710 bonds (distance) P-C4' energy: -114.285 flat angles C4'-P-C4' energy: -126.258 flat angles P-C4'-P energy: -74.687 tors. eta vs tors. theta energy: -150.170 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: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1560.010309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.010309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.010309 (E_RNA) where: Base-Base interactions energy: -1024.630 where: short stacking energy: -497.885 Base-Backbone interact. energy: -0.636 local terms energy: -534.744348 where: bonds (distance) C4'-P energy: -93.972 bonds (distance) P-C4' energy: -91.297 flat angles C4'-P-C4' energy: -125.779 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -139.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1405.152139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.152139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.152139 (E_RNA) where: Base-Base interactions energy: -916.185 where: short stacking energy: -403.321 Base-Backbone interact. energy: -2.474 local terms energy: -486.493509 where: bonds (distance) C4'-P energy: -98.241 bonds (distance) P-C4' energy: -104.024 flat angles C4'-P-C4' energy: -119.570 flat angles P-C4'-P energy: -69.634 tors. eta vs tors. theta energy: -95.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1199.111968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.111968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.111968 (E_RNA) where: Base-Base interactions energy: -734.364 where: short stacking energy: -355.769 Base-Backbone interact. energy: -2.803 local terms energy: -461.945593 where: bonds (distance) C4'-P energy: -107.264 bonds (distance) P-C4' energy: -100.427 flat angles C4'-P-C4' energy: -113.688 flat angles P-C4'-P energy: -60.367 tors. eta vs tors. theta energy: -80.199 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: 6, replica: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1177.399860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.399860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.399860 (E_RNA) where: Base-Base interactions energy: -765.067 where: short stacking energy: -365.823 Base-Backbone interact. energy: 2.234 local terms energy: -414.566436 where: bonds (distance) C4'-P energy: -88.567 bonds (distance) P-C4' energy: -88.433 flat angles C4'-P-C4' energy: -108.491 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -79.958 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: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -952.423314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.423314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.423314 (E_RNA) where: Base-Base interactions energy: -549.341 where: short stacking energy: -282.304 Base-Backbone interact. energy: -1.569 local terms energy: -401.512886 where: bonds (distance) C4'-P energy: -68.112 bonds (distance) P-C4' energy: -95.505 flat angles C4'-P-C4' energy: -100.558 flat angles P-C4'-P energy: -75.127 tors. eta vs tors. theta energy: -62.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -851.018476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.018476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.018476 (E_RNA) where: Base-Base interactions energy: -472.369 where: short stacking energy: -248.583 Base-Backbone interact. energy: -1.107 local terms energy: -377.542626 where: bonds (distance) C4'-P energy: -91.448 bonds (distance) P-C4' energy: -103.876 flat angles C4'-P-C4' energy: -92.898 flat angles P-C4'-P energy: -57.692 tors. eta vs tors. theta energy: -31.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -670.212987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.212987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.212987 (E_RNA) where: Base-Base interactions energy: -327.113 where: short stacking energy: -197.666 Base-Backbone interact. energy: -0.406 local terms energy: -342.693620 where: bonds (distance) C4'-P energy: -82.185 bonds (distance) P-C4' energy: -100.503 flat angles C4'-P-C4' energy: -86.465 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -592.020082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.020082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.020082 (E_RNA) where: Base-Base interactions energy: -284.450 where: short stacking energy: -180.167 Base-Backbone interact. energy: 1.244 local terms energy: -308.814507 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -93.830 flat angles C4'-P-C4' energy: -64.555 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -2.243 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: 1, replica: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1718.366312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.366312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.366312 (E_RNA) where: Base-Base interactions energy: -1119.398 where: short stacking energy: -531.832 Base-Backbone interact. energy: -2.935 local terms energy: -596.033675 where: bonds (distance) C4'-P energy: -113.239 bonds (distance) P-C4' energy: -114.971 flat angles C4'-P-C4' energy: -127.376 flat angles P-C4'-P energy: -84.701 tors. eta vs tors. theta energy: -155.747 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: 4 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1683.604074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.604074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.604074 (E_RNA) where: Base-Base interactions energy: -1115.812 where: short stacking energy: -472.982 Base-Backbone interact. energy: -2.730 local terms energy: -565.061914 where: bonds (distance) C4'-P energy: -101.086 bonds (distance) P-C4' energy: -116.227 flat angles C4'-P-C4' energy: -126.246 flat angles P-C4'-P energy: -79.830 tors. eta vs tors. theta energy: -141.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1526.952806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.952806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.952806 (E_RNA) where: Base-Base interactions energy: -1010.004 where: short stacking energy: -477.985 Base-Backbone interact. energy: -1.334 local terms energy: -515.615628 where: bonds (distance) C4'-P energy: -94.436 bonds (distance) P-C4' energy: -96.010 flat angles C4'-P-C4' energy: -115.307 flat angles P-C4'-P energy: -82.276 tors. eta vs tors. theta energy: -127.587 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: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1424.749791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.749791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.749791 (E_RNA) where: Base-Base interactions energy: -930.719 where: short stacking energy: -412.369 Base-Backbone interact. energy: 1.041 local terms energy: -495.072065 where: bonds (distance) C4'-P energy: -101.032 bonds (distance) P-C4' energy: -105.427 flat angles C4'-P-C4' energy: -118.788 flat angles P-C4'-P energy: -72.211 tors. eta vs tors. theta energy: -97.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1192.062134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.062134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.062134 (E_RNA) where: Base-Base interactions energy: -760.387 where: short stacking energy: -361.037 Base-Backbone interact. energy: -2.207 local terms energy: -429.467679 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -108.161 flat angles C4'-P-C4' energy: -92.219 flat angles P-C4'-P energy: -66.174 tors. eta vs tors. theta energy: -77.109 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: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1179.634539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.634539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.634539 (E_RNA) where: Base-Base interactions energy: -720.871 where: short stacking energy: -353.873 Base-Backbone interact. energy: -3.159 local terms energy: -455.604251 where: bonds (distance) C4'-P energy: -100.370 bonds (distance) P-C4' energy: -108.979 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -58.197 tors. eta vs tors. theta energy: -83.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1031.024683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.024683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.024683 (E_RNA) where: Base-Base interactions energy: -629.638 where: short stacking energy: -292.624 Base-Backbone interact. energy: -1.017 local terms energy: -400.369389 where: bonds (distance) C4'-P energy: -98.133 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -97.424 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -61.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -861.961918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.961918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.961918 (E_RNA) where: Base-Base interactions energy: -485.704 where: short stacking energy: -235.236 Base-Backbone interact. energy: -0.311 local terms energy: -375.946549 where: bonds (distance) C4'-P energy: -99.679 bonds (distance) P-C4' energy: -76.263 flat angles C4'-P-C4' energy: -97.101 flat angles P-C4'-P energy: -61.335 tors. eta vs tors. theta energy: -41.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -701.349633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.349633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.349633 (E_RNA) where: Base-Base interactions energy: -348.841 where: short stacking energy: -219.190 Base-Backbone interact. energy: -0.100 local terms energy: -352.408629 where: bonds (distance) C4'-P energy: -97.778 bonds (distance) P-C4' energy: -93.949 flat angles C4'-P-C4' energy: -85.058 flat angles P-C4'-P energy: -52.776 tors. eta vs tors. theta energy: -22.847 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: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -590.231158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.231158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.231158 (E_RNA) where: Base-Base interactions energy: -301.051 where: short stacking energy: -191.566 Base-Backbone interact. energy: 5.037 local terms energy: -294.217440 where: bonds (distance) C4'-P energy: -75.291 bonds (distance) P-C4' energy: -98.360 flat angles C4'-P-C4' energy: -71.725 flat angles P-C4'-P energy: -50.318 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1745.435845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.435845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.435845 (E_RNA) where: Base-Base interactions energy: -1140.673 where: short stacking energy: -533.073 Base-Backbone interact. energy: -0.019 local terms energy: -604.743609 where: bonds (distance) C4'-P energy: -114.141 bonds (distance) P-C4' energy: -121.445 flat angles C4'-P-C4' energy: -118.610 flat angles P-C4'-P energy: -93.047 tors. eta vs tors. theta energy: -157.500 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: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1681.148955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.148955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.148955 (E_RNA) where: Base-Base interactions energy: -1112.797 where: short stacking energy: -502.432 Base-Backbone interact. energy: -2.928 local terms energy: -565.423106 where: bonds (distance) C4'-P energy: -112.300 bonds (distance) P-C4' energy: -116.656 flat angles C4'-P-C4' energy: -116.987 flat angles P-C4'-P energy: -78.763 tors. eta vs tors. theta energy: -140.717 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: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1554.237477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.237477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.237477 (E_RNA) where: Base-Base interactions energy: -998.288 where: short stacking energy: -468.358 Base-Backbone interact. energy: -1.341 local terms energy: -554.607947 where: bonds (distance) C4'-P energy: -109.044 bonds (distance) P-C4' energy: -114.554 flat angles C4'-P-C4' energy: -117.329 flat angles P-C4'-P energy: -78.110 tors. eta vs tors. theta energy: -135.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1414.193429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.193429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.193429 (E_RNA) where: Base-Base interactions energy: -927.336 where: short stacking energy: -396.981 Base-Backbone interact. energy: -3.828 local terms energy: -483.029316 where: bonds (distance) C4'-P energy: -104.625 bonds (distance) P-C4' energy: -112.378 flat angles C4'-P-C4' energy: -100.013 flat angles P-C4'-P energy: -61.280 tors. eta vs tors. theta energy: -104.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1219.083833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.083833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.083833 (E_RNA) where: Base-Base interactions energy: -768.255 where: short stacking energy: -380.491 Base-Backbone interact. energy: -2.225 local terms energy: -448.604408 where: bonds (distance) C4'-P energy: -83.281 bonds (distance) P-C4' energy: -94.366 flat angles C4'-P-C4' energy: -117.187 flat angles P-C4'-P energy: -58.684 tors. eta vs tors. theta energy: -95.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1188.934033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.934033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.934033 (E_RNA) where: Base-Base interactions energy: -734.278 where: short stacking energy: -336.905 Base-Backbone interact. energy: -4.443 local terms energy: -450.212912 where: bonds (distance) C4'-P energy: -112.040 bonds (distance) P-C4' energy: -89.344 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -57.397 tors. eta vs tors. theta energy: -90.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1047.033828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.033828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.033828 (E_RNA) where: Base-Base interactions energy: -654.628 where: short stacking energy: -314.929 Base-Backbone interact. energy: -2.475 local terms energy: -389.930754 where: bonds (distance) C4'-P energy: -97.556 bonds (distance) P-C4' energy: -97.690 flat angles C4'-P-C4' energy: -87.379 flat angles P-C4'-P energy: -46.964 tors. eta vs tors. theta energy: -60.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -814.796188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.796188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.796188 (E_RNA) where: Base-Base interactions energy: -440.727 where: short stacking energy: -205.767 Base-Backbone interact. energy: -0.798 local terms energy: -373.272025 where: bonds (distance) C4'-P energy: -100.176 bonds (distance) P-C4' energy: -100.544 flat angles C4'-P-C4' energy: -93.674 flat angles P-C4'-P energy: -54.663 tors. eta vs tors. theta energy: -24.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -664.675843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.675843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.675843 (E_RNA) where: Base-Base interactions energy: -322.316 where: short stacking energy: -157.586 Base-Backbone interact. energy: 0.616 local terms energy: -342.975946 where: bonds (distance) C4'-P energy: -98.180 bonds (distance) P-C4' energy: -99.474 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -51.483 tors. eta vs tors. theta energy: -7.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -568.987954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.987954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.987954 (E_RNA) where: Base-Base interactions energy: -273.247 where: short stacking energy: -180.760 Base-Backbone interact. energy: 1.014 local terms energy: -296.754662 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -89.908 flat angles C4'-P-C4' energy: -72.274 flat angles P-C4'-P energy: -53.612 tors. eta vs tors. theta energy: 4.807 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: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1735.693168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.693168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.693168 (E_RNA) where: Base-Base interactions energy: -1147.614 where: short stacking energy: -560.655 Base-Backbone interact. energy: -7.647 local terms energy: -580.432538 where: bonds (distance) C4'-P energy: -102.665 bonds (distance) P-C4' energy: -119.235 flat angles C4'-P-C4' energy: -129.556 flat angles P-C4'-P energy: -76.455 tors. eta vs tors. theta energy: -152.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1659.189266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.189266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.189266 (E_RNA) where: Base-Base interactions energy: -1112.947 where: short stacking energy: -507.965 Base-Backbone interact. energy: -4.401 local terms energy: -541.841693 where: bonds (distance) C4'-P energy: -98.052 bonds (distance) P-C4' energy: -107.796 flat angles C4'-P-C4' energy: -122.151 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -135.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1530.234790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.234790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.234790 (E_RNA) where: Base-Base interactions energy: -1009.015 where: short stacking energy: -494.473 Base-Backbone interact. energy: -0.545 local terms energy: -520.674753 where: bonds (distance) C4'-P energy: -103.744 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -75.840 tors. eta vs tors. theta energy: -130.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1422.408864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.408864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.408864 (E_RNA) where: Base-Base interactions energy: -919.007 where: short stacking energy: -440.745 Base-Backbone interact. energy: -3.799 local terms energy: -499.602594 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -100.986 flat angles C4'-P-C4' energy: -117.825 flat angles P-C4'-P energy: -65.743 tors. eta vs tors. theta energy: -109.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1242.834513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.834513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.834513 (E_RNA) where: Base-Base interactions energy: -791.603 where: short stacking energy: -379.399 Base-Backbone interact. energy: -1.041 local terms energy: -450.190500 where: bonds (distance) C4'-P energy: -84.244 bonds (distance) P-C4' energy: -101.347 flat angles C4'-P-C4' energy: -108.522 flat angles P-C4'-P energy: -69.942 tors. eta vs tors. theta energy: -86.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1114.032516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.032516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.032516 (E_RNA) where: Base-Base interactions energy: -686.098 where: short stacking energy: -309.520 Base-Backbone interact. energy: -2.729 local terms energy: -425.204793 where: bonds (distance) C4'-P energy: -102.692 bonds (distance) P-C4' energy: -110.513 flat angles C4'-P-C4' energy: -98.065 flat angles P-C4'-P energy: -46.637 tors. eta vs tors. theta energy: -67.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -940.726923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.726923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.726923 (E_RNA) where: Base-Base interactions energy: -568.799 where: short stacking energy: -293.775 Base-Backbone interact. energy: 5.208 local terms energy: -377.136411 where: bonds (distance) C4'-P energy: -79.926 bonds (distance) P-C4' energy: -88.328 flat angles C4'-P-C4' energy: -87.379 flat angles P-C4'-P energy: -63.596 tors. eta vs tors. theta energy: -57.907 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: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -840.941905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.941905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.941905 (E_RNA) where: Base-Base interactions energy: -480.330 where: short stacking energy: -263.997 Base-Backbone interact. energy: -2.233 local terms energy: -358.379146 where: bonds (distance) C4'-P energy: -87.066 bonds (distance) P-C4' energy: -97.333 flat angles C4'-P-C4' energy: -71.933 flat angles P-C4'-P energy: -61.632 tors. eta vs tors. theta energy: -40.414 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: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -685.346657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.346657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.346657 (E_RNA) where: Base-Base interactions energy: -356.848 where: short stacking energy: -205.508 Base-Backbone interact. energy: -0.889 local terms energy: -327.609811 where: bonds (distance) C4'-P energy: -79.180 bonds (distance) P-C4' energy: -93.196 flat angles C4'-P-C4' energy: -87.239 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: -22.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -566.120458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.120458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.120458 (E_RNA) where: Base-Base interactions energy: -276.861 where: short stacking energy: -152.888 Base-Backbone interact. energy: 2.946 local terms energy: -292.205284 where: bonds (distance) C4'-P energy: -79.275 bonds (distance) P-C4' energy: -97.576 flat angles C4'-P-C4' energy: -81.670 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: 7.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1777.936031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.936031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.936031 (E_RNA) where: Base-Base interactions energy: -1177.708 where: short stacking energy: -540.975 Base-Backbone interact. energy: -5.501 local terms energy: -594.727174 where: bonds (distance) C4'-P energy: -112.035 bonds (distance) P-C4' energy: -108.260 flat angles C4'-P-C4' energy: -118.829 flat angles P-C4'-P energy: -92.351 tors. eta vs tors. theta energy: -163.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1671.570652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.570652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.570652 (E_RNA) where: Base-Base interactions energy: -1144.612 where: short stacking energy: -486.993 Base-Backbone interact. energy: -1.724 local terms energy: -525.234573 where: bonds (distance) C4'-P energy: -114.743 bonds (distance) P-C4' energy: -100.969 flat angles C4'-P-C4' energy: -117.072 flat angles P-C4'-P energy: -67.869 tors. eta vs tors. theta energy: -124.581 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: 3, replica: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1564.202712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.202712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.202712 (E_RNA) where: Base-Base interactions energy: -1018.925 where: short stacking energy: -474.478 Base-Backbone interact. energy: -5.600 local terms energy: -539.676784 where: bonds (distance) C4'-P energy: -104.288 bonds (distance) P-C4' energy: -100.726 flat angles C4'-P-C4' energy: -117.397 flat angles P-C4'-P energy: -80.201 tors. eta vs tors. theta energy: -137.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1402.139140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.139140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.139140 (E_RNA) where: Base-Base interactions energy: -904.039 where: short stacking energy: -426.407 Base-Backbone interact. energy: -2.304 local terms energy: -495.796434 where: bonds (distance) C4'-P energy: -97.424 bonds (distance) P-C4' energy: -100.198 flat angles C4'-P-C4' energy: -115.333 flat angles P-C4'-P energy: -72.092 tors. eta vs tors. theta energy: -110.750 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: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1246.233266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.233266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.233266 (E_RNA) where: Base-Base interactions energy: -799.399 where: short stacking energy: -408.954 Base-Backbone interact. energy: -1.784 local terms energy: -445.049793 where: bonds (distance) C4'-P energy: -81.699 bonds (distance) P-C4' energy: -103.089 flat angles C4'-P-C4' energy: -103.973 flat angles P-C4'-P energy: -69.540 tors. eta vs tors. theta energy: -86.750 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: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1172.553627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.553627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.553627 (E_RNA) where: Base-Base interactions energy: -735.000 where: short stacking energy: -334.808 Base-Backbone interact. energy: -1.196 local terms energy: -436.357525 where: bonds (distance) C4'-P energy: -89.870 bonds (distance) P-C4' energy: -98.277 flat angles C4'-P-C4' energy: -91.676 flat angles P-C4'-P energy: -69.993 tors. eta vs tors. theta energy: -86.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -987.191666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.191666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.191666 (E_RNA) where: Base-Base interactions energy: -576.991 where: short stacking energy: -281.978 Base-Backbone interact. energy: 1.765 local terms energy: -411.966238 where: bonds (distance) C4'-P energy: -97.414 bonds (distance) P-C4' energy: -105.311 flat angles C4'-P-C4' energy: -101.289 flat angles P-C4'-P energy: -66.207 tors. eta vs tors. theta energy: -41.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -836.225611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.225611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.225611 (E_RNA) where: Base-Base interactions energy: -493.108 where: short stacking energy: -251.142 Base-Backbone interact. energy: 3.071 local terms energy: -346.187647 where: bonds (distance) C4'-P energy: -75.555 bonds (distance) P-C4' energy: -105.774 flat angles C4'-P-C4' energy: -81.979 flat angles P-C4'-P energy: -50.336 tors. eta vs tors. theta energy: -32.544 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: 122 Temperature: 1.300000 Total energy: -666.497354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.497354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.497354 (E_RNA) where: Base-Base interactions energy: -342.247 where: short stacking energy: -199.125 Base-Backbone interact. energy: 0.688 local terms energy: -324.938043 where: bonds (distance) C4'-P energy: -92.631 bonds (distance) P-C4' energy: -90.629 flat angles C4'-P-C4' energy: -83.250 flat angles P-C4'-P energy: -46.828 tors. eta vs tors. theta energy: -11.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -617.258976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.258976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.258976 (E_RNA) where: Base-Base interactions energy: -327.941 where: short stacking energy: -158.970 Base-Backbone interact. energy: -1.224 local terms energy: -288.094087 where: bonds (distance) C4'-P energy: -90.890 bonds (distance) P-C4' energy: -97.050 flat angles C4'-P-C4' energy: -61.805 flat angles P-C4'-P energy: -39.522 tors. eta vs tors. theta energy: 1.172 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: 1, replica: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1741.524938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.524938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.524938 (E_RNA) where: Base-Base interactions energy: -1154.955 where: short stacking energy: -528.922 Base-Backbone interact. energy: -3.998 local terms energy: -582.571624 where: bonds (distance) C4'-P energy: -104.919 bonds (distance) P-C4' energy: -110.367 flat angles C4'-P-C4' energy: -125.058 flat angles P-C4'-P energy: -83.836 tors. eta vs tors. theta energy: -158.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1678.686509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.686509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.686509 (E_RNA) where: Base-Base interactions energy: -1137.120 where: short stacking energy: -495.952 Base-Backbone interact. energy: -3.226 local terms energy: -538.340499 where: bonds (distance) C4'-P energy: -97.980 bonds (distance) P-C4' energy: -112.837 flat angles C4'-P-C4' energy: -117.791 flat angles P-C4'-P energy: -75.653 tors. eta vs tors. theta energy: -134.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1577.797922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.797922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.797922 (E_RNA) where: Base-Base interactions energy: -1047.105 where: short stacking energy: -477.169 Base-Backbone interact. energy: -0.898 local terms energy: -529.795480 where: bonds (distance) C4'-P energy: -102.698 bonds (distance) P-C4' energy: -107.709 flat angles C4'-P-C4' energy: -119.433 flat angles P-C4'-P energy: -67.315 tors. eta vs tors. theta energy: -132.640 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: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1415.552610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.552610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.552610 (E_RNA) where: Base-Base interactions energy: -912.009 where: short stacking energy: -436.685 Base-Backbone interact. energy: -1.320 local terms energy: -502.223726 where: bonds (distance) C4'-P energy: -90.619 bonds (distance) P-C4' energy: -101.505 flat angles C4'-P-C4' energy: -114.650 flat angles P-C4'-P energy: -84.180 tors. eta vs tors. theta energy: -111.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1286.915099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.915099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.915099 (E_RNA) where: Base-Base interactions energy: -829.540 where: short stacking energy: -392.230 Base-Backbone interact. energy: -1.729 local terms energy: -455.646076 where: bonds (distance) C4'-P energy: -97.277 bonds (distance) P-C4' energy: -101.266 flat angles C4'-P-C4' energy: -106.943 flat angles P-C4'-P energy: -67.100 tors. eta vs tors. theta energy: -83.060 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: 6, replica: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1170.771948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.771948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.771948 (E_RNA) where: Base-Base interactions energy: -753.646 where: short stacking energy: -339.323 Base-Backbone interact. energy: -1.893 local terms energy: -415.233398 where: bonds (distance) C4'-P energy: -91.588 bonds (distance) P-C4' energy: -91.380 flat angles C4'-P-C4' energy: -107.764 flat angles P-C4'-P energy: -51.184 tors. eta vs tors. theta energy: -73.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -926.399994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.399994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.399994 (E_RNA) where: Base-Base interactions energy: -524.135 where: short stacking energy: -270.313 Base-Backbone interact. energy: -0.465 local terms energy: -401.799824 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -100.992 flat angles C4'-P-C4' energy: -100.458 flat angles P-C4'-P energy: -67.018 tors. eta vs tors. theta energy: -40.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -870.051449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.051449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.051449 (E_RNA) where: Base-Base interactions energy: -509.712 where: short stacking energy: -238.909 Base-Backbone interact. energy: 0.641 local terms energy: -360.980690 where: bonds (distance) C4'-P energy: -91.575 bonds (distance) P-C4' energy: -102.454 flat angles C4'-P-C4' energy: -86.810 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -34.690 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: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -657.586225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.586225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.586225 (E_RNA) where: Base-Base interactions energy: -357.503 where: short stacking energy: -180.030 Base-Backbone interact. energy: 4.553 local terms energy: -304.636747 where: bonds (distance) C4'-P energy: -90.528 bonds (distance) P-C4' energy: -79.098 flat angles C4'-P-C4' energy: -84.061 flat angles P-C4'-P energy: -51.463 tors. eta vs tors. theta energy: 0.514 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: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -595.496780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.496780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.496780 (E_RNA) where: Base-Base interactions energy: -303.989 where: short stacking energy: -159.812 Base-Backbone interact. energy: 2.070 local terms energy: -293.578028 where: bonds (distance) C4'-P energy: -88.072 bonds (distance) P-C4' energy: -97.547 flat angles C4'-P-C4' energy: -68.244 flat angles P-C4'-P energy: -53.713 tors. eta vs tors. theta energy: 13.997 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: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1739.310874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.310874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.310874 (E_RNA) where: Base-Base interactions energy: -1144.301 where: short stacking energy: -540.398 Base-Backbone interact. energy: -1.130 local terms energy: -593.879562 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -112.097 flat angles C4'-P-C4' energy: -123.594 flat angles P-C4'-P energy: -88.982 tors. eta vs tors. theta energy: -155.856 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: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1678.226566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.226566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.226566 (E_RNA) where: Base-Base interactions energy: -1113.177 where: short stacking energy: -505.666 Base-Backbone interact. energy: -3.957 local terms energy: -561.091929 where: bonds (distance) C4'-P energy: -110.622 bonds (distance) P-C4' energy: -103.479 flat angles C4'-P-C4' energy: -118.762 flat angles P-C4'-P energy: -89.748 tors. eta vs tors. theta energy: -138.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1581.342687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.342687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.342687 (E_RNA) where: Base-Base interactions energy: -1041.224 where: short stacking energy: -472.942 Base-Backbone interact. energy: -0.228 local terms energy: -539.891286 where: bonds (distance) C4'-P energy: -96.206 bonds (distance) P-C4' energy: -105.572 flat angles C4'-P-C4' energy: -123.054 flat angles P-C4'-P energy: -83.354 tors. eta vs tors. theta energy: -131.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1426.306806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.306806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.306806 (E_RNA) where: Base-Base interactions energy: -929.666 where: short stacking energy: -429.763 Base-Backbone interact. energy: -1.113 local terms energy: -495.527690 where: bonds (distance) C4'-P energy: -94.170 bonds (distance) P-C4' energy: -106.576 flat angles C4'-P-C4' energy: -109.227 flat angles P-C4'-P energy: -68.278 tors. eta vs tors. theta energy: -117.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1276.608578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.608578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.608578 (E_RNA) where: Base-Base interactions energy: -790.880 where: short stacking energy: -366.045 Base-Backbone interact. energy: -2.461 local terms energy: -483.267647 where: bonds (distance) C4'-P energy: -99.187 bonds (distance) P-C4' energy: -114.083 flat angles C4'-P-C4' energy: -100.983 flat angles P-C4'-P energy: -71.325 tors. eta vs tors. theta energy: -97.690 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: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1152.843546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.843546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.843546 (E_RNA) where: Base-Base interactions energy: -742.967 where: short stacking energy: -347.412 Base-Backbone interact. energy: 0.928 local terms energy: -410.805059 where: bonds (distance) C4'-P energy: -89.441 bonds (distance) P-C4' energy: -85.632 flat angles C4'-P-C4' energy: -98.839 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -76.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -938.420102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.420102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.420102 (E_RNA) where: Base-Base interactions energy: -550.637 where: short stacking energy: -282.698 Base-Backbone interact. energy: 1.390 local terms energy: -389.173625 where: bonds (distance) C4'-P energy: -92.497 bonds (distance) P-C4' energy: -100.505 flat angles C4'-P-C4' energy: -95.077 flat angles P-C4'-P energy: -55.373 tors. eta vs tors. theta energy: -45.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -834.054285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.054285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.054285 (E_RNA) where: Base-Base interactions energy: -476.860 where: short stacking energy: -221.469 Base-Backbone interact. energy: -1.466 local terms energy: -355.728174 where: bonds (distance) C4'-P energy: -81.318 bonds (distance) P-C4' energy: -105.414 flat angles C4'-P-C4' energy: -87.394 flat angles P-C4'-P energy: -56.941 tors. eta vs tors. theta energy: -24.660 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: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -674.967372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.967372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.967372 (E_RNA) where: Base-Base interactions energy: -332.062 where: short stacking energy: -200.746 Base-Backbone interact. energy: 2.332 local terms energy: -345.237463 where: bonds (distance) C4'-P energy: -92.110 bonds (distance) P-C4' energy: -94.304 flat angles C4'-P-C4' energy: -89.773 flat angles P-C4'-P energy: -55.071 tors. eta vs tors. theta energy: -13.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -583.379971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.379971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.379971 (E_RNA) where: Base-Base interactions energy: -274.879 where: short stacking energy: -162.826 Base-Backbone interact. energy: 0.409 local terms energy: -308.910782 where: bonds (distance) C4'-P energy: -89.834 bonds (distance) P-C4' energy: -95.078 flat angles C4'-P-C4' energy: -69.466 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: -12.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1737.472203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.472203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.472203 (E_RNA) where: Base-Base interactions energy: -1147.628 where: short stacking energy: -554.110 Base-Backbone interact. energy: -0.982 local terms energy: -588.862168 where: bonds (distance) C4'-P energy: -108.774 bonds (distance) P-C4' energy: -112.455 flat angles C4'-P-C4' energy: -114.757 flat angles P-C4'-P energy: -85.939 tors. eta vs tors. theta energy: -166.937 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: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1681.552329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.552329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.552329 (E_RNA) where: Base-Base interactions energy: -1131.594 where: short stacking energy: -500.220 Base-Backbone interact. energy: -4.691 local terms energy: -545.267814 where: bonds (distance) C4'-P energy: -100.915 bonds (distance) P-C4' energy: -111.549 flat angles C4'-P-C4' energy: -127.315 flat angles P-C4'-P energy: -72.287 tors. eta vs tors. theta energy: -133.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1558.679121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.679121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.679121 (E_RNA) where: Base-Base interactions energy: -1037.790 where: short stacking energy: -505.990 Base-Backbone interact. energy: -3.719 local terms energy: -517.170293 where: bonds (distance) C4'-P energy: -85.591 bonds (distance) P-C4' energy: -105.842 flat angles C4'-P-C4' energy: -118.395 flat angles P-C4'-P energy: -77.004 tors. eta vs tors. theta energy: -130.338 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: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1411.312388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.312388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.312388 (E_RNA) where: Base-Base interactions energy: -913.688 where: short stacking energy: -413.506 Base-Backbone interact. energy: -3.793 local terms energy: -493.830927 where: bonds (distance) C4'-P energy: -100.247 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -72.331 tors. eta vs tors. theta energy: -117.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1324.340330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.340330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.340330 (E_RNA) where: Base-Base interactions energy: -862.550 where: short stacking energy: -411.127 Base-Backbone interact. energy: -1.658 local terms energy: -460.131656 where: bonds (distance) C4'-P energy: -87.563 bonds (distance) P-C4' energy: -115.039 flat angles C4'-P-C4' energy: -102.048 flat angles P-C4'-P energy: -56.995 tors. eta vs tors. theta energy: -98.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1160.724555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.724555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.724555 (E_RNA) where: Base-Base interactions energy: -740.382 where: short stacking energy: -357.972 Base-Backbone interact. energy: -1.362 local terms energy: -418.980815 where: bonds (distance) C4'-P energy: -100.881 bonds (distance) P-C4' energy: -97.698 flat angles C4'-P-C4' energy: -100.880 flat angles P-C4'-P energy: -42.246 tors. eta vs tors. theta energy: -77.276 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: 7, replica: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -989.737204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.737204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.737204 (E_RNA) where: Base-Base interactions energy: -584.785 where: short stacking energy: -280.944 Base-Backbone interact. energy: 2.203 local terms energy: -407.155526 where: bonds (distance) C4'-P energy: -78.130 bonds (distance) P-C4' energy: -109.720 flat angles C4'-P-C4' energy: -103.870 flat angles P-C4'-P energy: -74.357 tors. eta vs tors. theta energy: -41.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -795.119558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.119558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.119558 (E_RNA) where: Base-Base interactions energy: -441.852 where: short stacking energy: -219.375 Base-Backbone interact. energy: -2.000 local terms energy: -351.267016 where: bonds (distance) C4'-P energy: -72.763 bonds (distance) P-C4' energy: -99.417 flat angles C4'-P-C4' energy: -97.977 flat angles P-C4'-P energy: -48.593 tors. eta vs tors. theta energy: -32.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -652.767574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.767574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.767574 (E_RNA) where: Base-Base interactions energy: -311.809 where: short stacking energy: -181.129 Base-Backbone interact. energy: -1.405 local terms energy: -339.552680 where: bonds (distance) C4'-P energy: -84.102 bonds (distance) P-C4' energy: -98.937 flat angles C4'-P-C4' energy: -78.777 flat angles P-C4'-P energy: -54.311 tors. eta vs tors. theta energy: -23.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -553.728379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.728379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.728379 (E_RNA) where: Base-Base interactions energy: -239.668 where: short stacking energy: -139.815 Base-Backbone interact. energy: -1.192 local terms energy: -312.868449 where: bonds (distance) C4'-P energy: -96.764 bonds (distance) P-C4' energy: -89.951 flat angles C4'-P-C4' energy: -81.300 flat angles P-C4'-P energy: -47.380 tors. eta vs tors. theta energy: 2.527 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: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1745.321752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.321752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.321752 (E_RNA) where: Base-Base interactions energy: -1168.051 where: short stacking energy: -551.646 Base-Backbone interact. energy: -3.390 local terms energy: -573.880954 where: bonds (distance) C4'-P energy: -104.113 bonds (distance) P-C4' energy: -103.953 flat angles C4'-P-C4' energy: -118.033 flat angles P-C4'-P energy: -88.308 tors. eta vs tors. theta energy: -159.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1672.758959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.758959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.758959 (E_RNA) where: Base-Base interactions energy: -1143.832 where: short stacking energy: -494.252 Base-Backbone interact. energy: -3.254 local terms energy: -525.672735 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -112.936 flat angles C4'-P-C4' energy: -115.583 flat angles P-C4'-P energy: -71.449 tors. eta vs tors. theta energy: -125.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1506.920800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.920800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.920800 (E_RNA) where: Base-Base interactions energy: -1005.492 where: short stacking energy: -473.411 Base-Backbone interact. energy: 6.222 local terms energy: -507.650684 where: bonds (distance) C4'-P energy: -80.504 bonds (distance) P-C4' energy: -100.957 flat angles C4'-P-C4' energy: -115.913 flat angles P-C4'-P energy: -76.964 tors. eta vs tors. theta energy: -133.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1406.372591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.372591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.372591 (E_RNA) where: Base-Base interactions energy: -916.578 where: short stacking energy: -444.571 Base-Backbone interact. energy: 0.659 local terms energy: -490.454328 where: bonds (distance) C4'-P energy: -91.993 bonds (distance) P-C4' energy: -100.160 flat angles C4'-P-C4' energy: -116.344 flat angles P-C4'-P energy: -61.810 tors. eta vs tors. theta energy: -120.147 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: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1265.058247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.058247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.058247 (E_RNA) where: Base-Base interactions energy: -767.323 where: short stacking energy: -367.132 Base-Backbone interact. energy: -2.030 local terms energy: -495.705693 where: bonds (distance) C4'-P energy: -101.355 bonds (distance) P-C4' energy: -105.848 flat angles C4'-P-C4' energy: -115.653 flat angles P-C4'-P energy: -69.925 tors. eta vs tors. theta energy: -102.925 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: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1138.031413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.031413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.031413 (E_RNA) where: Base-Base interactions energy: -699.619 where: short stacking energy: -357.714 Base-Backbone interact. energy: 6.892 local terms energy: -445.304041 where: bonds (distance) C4'-P energy: -91.976 bonds (distance) P-C4' energy: -101.119 flat angles C4'-P-C4' energy: -100.690 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: -87.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -978.289014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.289014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.289014 (E_RNA) where: Base-Base interactions energy: -569.144 where: short stacking energy: -260.463 Base-Backbone interact. energy: -1.156 local terms energy: -407.989582 where: bonds (distance) C4'-P energy: -98.699 bonds (distance) P-C4' energy: -100.479 flat angles C4'-P-C4' energy: -101.862 flat angles P-C4'-P energy: -58.202 tors. eta vs tors. theta energy: -48.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -741.350223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.350223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.350223 (E_RNA) where: Base-Base interactions energy: -371.918 where: short stacking energy: -209.560 Base-Backbone interact. energy: -1.083 local terms energy: -368.348534 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -103.866 flat angles C4'-P-C4' energy: -87.141 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -31.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -677.607702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.607702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.607702 (E_RNA) where: Base-Base interactions energy: -328.442 where: short stacking energy: -174.411 Base-Backbone interact. energy: 0.113 local terms energy: -349.278892 where: bonds (distance) C4'-P energy: -85.707 bonds (distance) P-C4' energy: -94.888 flat angles C4'-P-C4' energy: -102.767 flat angles P-C4'-P energy: -49.534 tors. eta vs tors. theta energy: -16.383 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: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -575.571440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.571440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.571440 (E_RNA) where: Base-Base interactions energy: -263.327 where: short stacking energy: -168.333 Base-Backbone interact. energy: -0.673 local terms energy: -311.571984 where: bonds (distance) C4'-P energy: -93.493 bonds (distance) P-C4' energy: -81.357 flat angles C4'-P-C4' energy: -65.784 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1727.071060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.071060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.071060 (E_RNA) where: Base-Base interactions energy: -1137.522 where: short stacking energy: -560.762 Base-Backbone interact. energy: -2.496 local terms energy: -587.052295 where: bonds (distance) C4'-P energy: -105.765 bonds (distance) P-C4' energy: -111.007 flat angles C4'-P-C4' energy: -126.680 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -164.044 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: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1639.819980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.819980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.819980 (E_RNA) where: Base-Base interactions energy: -1107.888 where: short stacking energy: -472.225 Base-Backbone interact. energy: -2.054 local terms energy: -529.877844 where: bonds (distance) C4'-P energy: -87.257 bonds (distance) P-C4' energy: -115.000 flat angles C4'-P-C4' energy: -115.865 flat angles P-C4'-P energy: -83.030 tors. eta vs tors. theta energy: -128.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1494.562987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.562987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.562987 (E_RNA) where: Base-Base interactions energy: -970.565 where: short stacking energy: -470.453 Base-Backbone interact. energy: 0.685 local terms energy: -524.683633 where: bonds (distance) C4'-P energy: -91.280 bonds (distance) P-C4' energy: -113.583 flat angles C4'-P-C4' energy: -123.273 flat angles P-C4'-P energy: -66.361 tors. eta vs tors. theta energy: -130.186 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: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1377.355089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.355089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.355089 (E_RNA) where: Base-Base interactions energy: -877.645 where: short stacking energy: -405.768 Base-Backbone interact. energy: 1.888 local terms energy: -501.598094 where: bonds (distance) C4'-P energy: -110.013 bonds (distance) P-C4' energy: -110.620 flat angles C4'-P-C4' energy: -105.166 flat angles P-C4'-P energy: -84.460 tors. eta vs tors. theta energy: -91.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1253.436962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.436962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.436962 (E_RNA) where: Base-Base interactions energy: -776.586 where: short stacking energy: -372.531 Base-Backbone interact. energy: -3.454 local terms energy: -473.396999 where: bonds (distance) C4'-P energy: -99.983 bonds (distance) P-C4' energy: -104.057 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -63.894 tors. eta vs tors. theta energy: -92.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1132.476213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.476213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.476213 (E_RNA) where: Base-Base interactions energy: -710.870 where: short stacking energy: -337.593 Base-Backbone interact. energy: -1.897 local terms energy: -419.709062 where: bonds (distance) C4'-P energy: -95.363 bonds (distance) P-C4' energy: -95.932 flat angles C4'-P-C4' energy: -101.210 flat angles P-C4'-P energy: -55.654 tors. eta vs tors. theta energy: -71.549 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: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -964.973810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.973810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.973810 (E_RNA) where: Base-Base interactions energy: -575.891 where: short stacking energy: -272.986 Base-Backbone interact. energy: 0.272 local terms energy: -389.354204 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -101.030 flat angles C4'-P-C4' energy: -103.235 flat angles P-C4'-P energy: -60.335 tors. eta vs tors. theta energy: -37.993 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: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -699.259654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.259654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.259654 (E_RNA) where: Base-Base interactions energy: -354.536 where: short stacking energy: -201.003 Base-Backbone interact. energy: -1.226 local terms energy: -343.498275 where: bonds (distance) C4'-P energy: -97.133 bonds (distance) P-C4' energy: -101.223 flat angles C4'-P-C4' energy: -79.632 flat angles P-C4'-P energy: -49.027 tors. eta vs tors. theta energy: -16.483 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: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -711.734648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.734648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.734648 (E_RNA) where: Base-Base interactions energy: -377.973 where: short stacking energy: -227.301 Base-Backbone interact. energy: -1.919 local terms energy: -331.843193 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -93.882 flat angles C4'-P-C4' energy: -90.958 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: -28.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -552.734382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.734382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.734382 (E_RNA) where: Base-Base interactions energy: -222.651 where: short stacking energy: -133.006 Base-Backbone interact. energy: 1.857 local terms energy: -331.939851 where: bonds (distance) C4'-P energy: -86.677 bonds (distance) P-C4' energy: -105.900 flat angles C4'-P-C4' energy: -81.002 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: 13.554 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: 128 Temperature: 0.900000 Total energy: -1762.547228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.547228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.547228 (E_RNA) where: Base-Base interactions energy: -1140.232 where: short stacking energy: -538.558 Base-Backbone interact. energy: -4.793 local terms energy: -617.522208 where: bonds (distance) C4'-P energy: -120.416 bonds (distance) P-C4' energy: -111.305 flat angles C4'-P-C4' energy: -128.599 flat angles P-C4'-P energy: -84.285 tors. eta vs tors. theta energy: -172.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1657.429584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.429584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.429584 (E_RNA) where: Base-Base interactions energy: -1101.348 where: short stacking energy: -481.507 Base-Backbone interact. energy: -2.299 local terms energy: -553.782633 where: bonds (distance) C4'-P energy: -109.537 bonds (distance) P-C4' energy: -109.456 flat angles C4'-P-C4' energy: -120.137 flat angles P-C4'-P energy: -83.389 tors. eta vs tors. theta energy: -131.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1529.130984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.130984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.130984 (E_RNA) where: Base-Base interactions energy: -979.928 where: short stacking energy: -464.496 Base-Backbone interact. energy: -2.689 local terms energy: -546.514566 where: bonds (distance) C4'-P energy: -101.318 bonds (distance) P-C4' energy: -106.063 flat angles C4'-P-C4' energy: -124.659 flat angles P-C4'-P energy: -82.888 tors. eta vs tors. theta energy: -131.587 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: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1330.968330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.968330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.968330 (E_RNA) where: Base-Base interactions energy: -851.536 where: short stacking energy: -397.454 Base-Backbone interact. energy: 3.123 local terms energy: -482.554816 where: bonds (distance) C4'-P energy: -104.613 bonds (distance) P-C4' energy: -108.271 flat angles C4'-P-C4' energy: -107.876 flat angles P-C4'-P energy: -69.210 tors. eta vs tors. theta energy: -92.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1236.978852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.978852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.978852 (E_RNA) where: Base-Base interactions energy: -763.966 where: short stacking energy: -375.088 Base-Backbone interact. energy: 0.607 local terms energy: -473.619695 where: bonds (distance) C4'-P energy: -98.979 bonds (distance) P-C4' energy: -104.591 flat angles C4'-P-C4' energy: -113.552 flat angles P-C4'-P energy: -60.612 tors. eta vs tors. theta energy: -95.887 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: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1127.871178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.871178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.871178 (E_RNA) where: Base-Base interactions energy: -687.380 where: short stacking energy: -330.725 Base-Backbone interact. energy: -2.009 local terms energy: -438.482377 where: bonds (distance) C4'-P energy: -92.463 bonds (distance) P-C4' energy: -98.753 flat angles C4'-P-C4' energy: -101.888 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -82.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -978.341483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.341483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.341483 (E_RNA) where: Base-Base interactions energy: -619.328 where: short stacking energy: -283.271 Base-Backbone interact. energy: -1.967 local terms energy: -357.046988 where: bonds (distance) C4'-P energy: -89.574 bonds (distance) P-C4' energy: -79.542 flat angles C4'-P-C4' energy: -92.661 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -44.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -698.689130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.689130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.689130 (E_RNA) where: Base-Base interactions energy: -341.325 where: short stacking energy: -198.663 Base-Backbone interact. energy: 1.585 local terms energy: -358.949527 where: bonds (distance) C4'-P energy: -86.742 bonds (distance) P-C4' energy: -99.533 flat angles C4'-P-C4' energy: -87.583 flat angles P-C4'-P energy: -57.811 tors. eta vs tors. theta energy: -27.281 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: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -664.241441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.241441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.241441 (E_RNA) where: Base-Base interactions energy: -354.170 where: short stacking energy: -192.173 Base-Backbone interact. energy: 3.095 local terms energy: -313.166673 where: bonds (distance) C4'-P energy: -100.033 bonds (distance) P-C4' energy: -87.905 flat angles C4'-P-C4' energy: -75.406 flat angles P-C4'-P energy: -41.518 tors. eta vs tors. theta energy: -8.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -552.330589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.330589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.330589 (E_RNA) where: Base-Base interactions energy: -231.837 where: short stacking energy: -136.812 Base-Backbone interact. energy: -1.106 local terms energy: -319.388159 where: bonds (distance) C4'-P energy: -86.547 bonds (distance) P-C4' energy: -101.483 flat angles C4'-P-C4' energy: -76.610 flat angles P-C4'-P energy: -54.961 tors. eta vs tors. theta energy: 0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1738.304492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.304492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.304492 (E_RNA) where: Base-Base interactions energy: -1163.217 where: short stacking energy: -533.184 Base-Backbone interact. energy: -3.990 local terms energy: -571.097728 where: bonds (distance) C4'-P energy: -98.471 bonds (distance) P-C4' energy: -102.442 flat angles C4'-P-C4' energy: -123.257 flat angles P-C4'-P energy: -84.741 tors. eta vs tors. theta energy: -162.186 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: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1646.365235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.365235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.365235 (E_RNA) where: Base-Base interactions energy: -1103.838 where: short stacking energy: -485.071 Base-Backbone interact. energy: -4.186 local terms energy: -538.340829 where: bonds (distance) C4'-P energy: -109.736 bonds (distance) P-C4' energy: -103.841 flat angles C4'-P-C4' energy: -114.154 flat angles P-C4'-P energy: -73.016 tors. eta vs tors. theta energy: -137.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1523.049838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.049838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.049838 (E_RNA) where: Base-Base interactions energy: -980.629 where: short stacking energy: -451.962 Base-Backbone interact. energy: -1.079 local terms energy: -541.341506 where: bonds (distance) C4'-P energy: -91.361 bonds (distance) P-C4' energy: -114.506 flat angles C4'-P-C4' energy: -129.919 flat angles P-C4'-P energy: -74.839 tors. eta vs tors. theta energy: -130.716 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: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1311.855287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.855287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.855287 (E_RNA) where: Base-Base interactions energy: -842.510 where: short stacking energy: -377.417 Base-Backbone interact. energy: -3.748 local terms energy: -465.597972 where: bonds (distance) C4'-P energy: -88.827 bonds (distance) P-C4' energy: -117.794 flat angles C4'-P-C4' energy: -110.994 flat angles P-C4'-P energy: -61.520 tors. eta vs tors. theta energy: -86.462 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: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1220.238212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.238212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.238212 (E_RNA) where: Base-Base interactions energy: -741.283 where: short stacking energy: -387.588 Base-Backbone interact. energy: -2.188 local terms energy: -476.767645 where: bonds (distance) C4'-P energy: -96.690 bonds (distance) P-C4' energy: -114.563 flat angles C4'-P-C4' energy: -101.170 flat angles P-C4'-P energy: -69.925 tors. eta vs tors. theta energy: -94.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1182.185200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.185200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.185200 (E_RNA) where: Base-Base interactions energy: -748.753 where: short stacking energy: -344.346 Base-Backbone interact. energy: -1.782 local terms energy: -431.650090 where: bonds (distance) C4'-P energy: -91.624 bonds (distance) P-C4' energy: -87.440 flat angles C4'-P-C4' energy: -105.836 flat angles P-C4'-P energy: -63.531 tors. eta vs tors. theta energy: -83.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -954.311434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.311434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.311434 (E_RNA) where: Base-Base interactions energy: -569.017 where: short stacking energy: -267.846 Base-Backbone interact. energy: 0.115 local terms energy: -385.408971 where: bonds (distance) C4'-P energy: -96.741 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -99.188 flat angles P-C4'-P energy: -61.588 tors. eta vs tors. theta energy: -31.859 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: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -775.134321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.134321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.134321 (E_RNA) where: Base-Base interactions energy: -412.912 where: short stacking energy: -237.631 Base-Backbone interact. energy: -2.118 local terms energy: -360.104853 where: bonds (distance) C4'-P energy: -90.930 bonds (distance) P-C4' energy: -110.402 flat angles C4'-P-C4' energy: -81.368 flat angles P-C4'-P energy: -47.428 tors. eta vs tors. theta energy: -29.976 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: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -590.025967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.025967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.025967 (E_RNA) where: Base-Base interactions energy: -292.254 where: short stacking energy: -151.449 Base-Backbone interact. energy: -0.842 local terms energy: -296.930066 where: bonds (distance) C4'-P energy: -97.359 bonds (distance) P-C4' energy: -88.591 flat angles C4'-P-C4' energy: -69.335 flat angles P-C4'-P energy: -41.800 tors. eta vs tors. theta energy: 0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -559.739130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.739130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.739130 (E_RNA) where: Base-Base interactions energy: -277.019 where: short stacking energy: -166.033 Base-Backbone interact. energy: 1.912 local terms energy: -284.632301 where: bonds (distance) C4'-P energy: -86.722 bonds (distance) P-C4' energy: -83.530 flat angles C4'-P-C4' energy: -61.652 flat angles P-C4'-P energy: -49.524 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1701.777891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.777891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.777891 (E_RNA) where: Base-Base interactions energy: -1122.842 where: short stacking energy: -509.747 Base-Backbone interact. energy: -3.180 local terms energy: -575.756046 where: bonds (distance) C4'-P energy: -117.977 bonds (distance) P-C4' energy: -116.914 flat angles C4'-P-C4' energy: -117.381 flat angles P-C4'-P energy: -86.394 tors. eta vs tors. theta energy: -137.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1669.789878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.789878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.789878 (E_RNA) where: Base-Base interactions energy: -1115.456 where: short stacking energy: -527.998 Base-Backbone interact. energy: -1.208 local terms energy: -553.126221 where: bonds (distance) C4'-P energy: -92.926 bonds (distance) P-C4' energy: -98.131 flat angles C4'-P-C4' energy: -111.050 flat angles P-C4'-P energy: -87.583 tors. eta vs tors. theta energy: -163.436 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: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1518.841474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.841474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.841474 (E_RNA) where: Base-Base interactions energy: -1010.545 where: short stacking energy: -450.408 Base-Backbone interact. energy: -0.312 local terms energy: -507.983679 where: bonds (distance) C4'-P energy: -89.149 bonds (distance) P-C4' energy: -113.269 flat angles C4'-P-C4' energy: -122.260 flat angles P-C4'-P energy: -59.791 tors. eta vs tors. theta energy: -123.515 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: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1301.066332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.066332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.066332 (E_RNA) where: Base-Base interactions energy: -842.035 where: short stacking energy: -381.946 Base-Backbone interact. energy: -1.504 local terms energy: -457.527797 where: bonds (distance) C4'-P energy: -98.076 bonds (distance) P-C4' energy: -99.921 flat angles C4'-P-C4' energy: -110.658 flat angles P-C4'-P energy: -57.610 tors. eta vs tors. theta energy: -91.263 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: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1285.123800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.123800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.123800 (E_RNA) where: Base-Base interactions energy: -813.154 where: short stacking energy: -406.527 Base-Backbone interact. energy: 3.562 local terms energy: -475.531387 where: bonds (distance) C4'-P energy: -91.294 bonds (distance) P-C4' energy: -98.797 flat angles C4'-P-C4' energy: -112.689 flat angles P-C4'-P energy: -68.776 tors. eta vs tors. theta energy: -103.975 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: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1103.803065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.803065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.803065 (E_RNA) where: Base-Base interactions energy: -661.595 where: short stacking energy: -319.636 Base-Backbone interact. energy: 1.299 local terms energy: -443.506693 where: bonds (distance) C4'-P energy: -94.582 bonds (distance) P-C4' energy: -110.180 flat angles C4'-P-C4' energy: -109.701 flat angles P-C4'-P energy: -59.141 tors. eta vs tors. theta energy: -69.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -948.578697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.578697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.578697 (E_RNA) where: Base-Base interactions energy: -570.656 where: short stacking energy: -291.367 Base-Backbone interact. energy: -2.175 local terms energy: -375.747850 where: bonds (distance) C4'-P energy: -82.556 bonds (distance) P-C4' energy: -88.349 flat angles C4'-P-C4' energy: -101.723 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -46.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -731.940919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.940919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.940919 (E_RNA) where: Base-Base interactions energy: -379.628 where: short stacking energy: -214.410 Base-Backbone interact. energy: -0.717 local terms energy: -351.595904 where: bonds (distance) C4'-P energy: -100.250 bonds (distance) P-C4' energy: -92.641 flat angles C4'-P-C4' energy: -79.569 flat angles P-C4'-P energy: -59.404 tors. eta vs tors. theta energy: -19.733 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: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -650.207228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.207228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.207228 (E_RNA) where: Base-Base interactions energy: -314.125 where: short stacking energy: -199.348 Base-Backbone interact. energy: -0.310 local terms energy: -335.772165 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -87.869 flat angles C4'-P-C4' energy: -78.164 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -28.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -606.469178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.469178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.469178 (E_RNA) where: Base-Base interactions energy: -306.274 where: short stacking energy: -193.847 Base-Backbone interact. energy: 3.074 local terms energy: -303.268867 where: bonds (distance) C4'-P energy: -80.399 bonds (distance) P-C4' energy: -86.405 flat angles C4'-P-C4' energy: -84.870 flat angles P-C4'-P energy: -35.560 tors. eta vs tors. theta energy: -16.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1683.180897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.180897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.180897 (E_RNA) where: Base-Base interactions energy: -1140.411 where: short stacking energy: -503.355 Base-Backbone interact. energy: -6.637 local terms energy: -536.132651 where: bonds (distance) C4'-P energy: -98.213 bonds (distance) P-C4' energy: -94.803 flat angles C4'-P-C4' energy: -127.589 flat angles P-C4'-P energy: -72.842 tors. eta vs tors. theta energy: -142.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1703.776164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.776164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.776164 (E_RNA) where: Base-Base interactions energy: -1147.227 where: short stacking energy: -528.676 Base-Backbone interact. energy: -0.056 local terms energy: -556.493153 where: bonds (distance) C4'-P energy: -92.012 bonds (distance) P-C4' energy: -101.330 flat angles C4'-P-C4' energy: -130.053 flat angles P-C4'-P energy: -74.201 tors. eta vs tors. theta energy: -158.897 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: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1529.570798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.570798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.570798 (E_RNA) where: Base-Base interactions energy: -1027.214 where: short stacking energy: -469.079 Base-Backbone interact. energy: -2.903 local terms energy: -499.454380 where: bonds (distance) C4'-P energy: -98.892 bonds (distance) P-C4' energy: -102.903 flat angles C4'-P-C4' energy: -103.718 flat angles P-C4'-P energy: -75.372 tors. eta vs tors. theta energy: -118.569 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: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1397.257076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.257076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.257076 (E_RNA) where: Base-Base interactions energy: -881.387 where: short stacking energy: -416.865 Base-Backbone interact. energy: 0.838 local terms energy: -516.708770 where: bonds (distance) C4'-P energy: -113.005 bonds (distance) P-C4' energy: -102.500 flat angles C4'-P-C4' energy: -112.863 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -107.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1250.236424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.236424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.236424 (E_RNA) where: Base-Base interactions energy: -796.930 where: short stacking energy: -412.162 Base-Backbone interact. energy: -0.181 local terms energy: -453.125607 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -85.577 flat angles C4'-P-C4' energy: -112.200 flat angles P-C4'-P energy: -66.607 tors. eta vs tors. theta energy: -89.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1097.803682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.803682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.803682 (E_RNA) where: Base-Base interactions energy: -666.173 where: short stacking energy: -311.825 Base-Backbone interact. energy: -1.444 local terms energy: -430.187008 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -105.459 flat angles C4'-P-C4' energy: -99.749 flat angles P-C4'-P energy: -64.873 tors. eta vs tors. theta energy: -53.439 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: 131 Temperature: 1.200000 Total energy: -930.361884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.361884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.361884 (E_RNA) where: Base-Base interactions energy: -550.411 where: short stacking energy: -272.294 Base-Backbone interact. energy: -1.434 local terms energy: -378.517213 where: bonds (distance) C4'-P energy: -87.912 bonds (distance) P-C4' energy: -101.711 flat angles C4'-P-C4' energy: -100.218 flat angles P-C4'-P energy: -50.133 tors. eta vs tors. theta energy: -38.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -788.033173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.033173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.033173 (E_RNA) where: Base-Base interactions energy: -441.169 where: short stacking energy: -236.003 Base-Backbone interact. energy: -1.261 local terms energy: -345.603258 where: bonds (distance) C4'-P energy: -83.126 bonds (distance) P-C4' energy: -100.574 flat angles C4'-P-C4' energy: -86.856 flat angles P-C4'-P energy: -47.604 tors. eta vs tors. theta energy: -27.443 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: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -636.731775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.731775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.731775 (E_RNA) where: Base-Base interactions energy: -329.054 where: short stacking energy: -178.943 Base-Backbone interact. energy: 4.112 local terms energy: -311.788932 where: bonds (distance) C4'-P energy: -69.186 bonds (distance) P-C4' energy: -101.146 flat angles C4'-P-C4' energy: -88.925 flat angles P-C4'-P energy: -60.095 tors. eta vs tors. theta energy: 7.564 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: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -593.277761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.277761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.277761 (E_RNA) where: Base-Base interactions energy: -287.261 where: short stacking energy: -186.457 Base-Backbone interact. energy: -3.207 local terms energy: -302.810100 where: bonds (distance) C4'-P energy: -85.411 bonds (distance) P-C4' energy: -93.120 flat angles C4'-P-C4' energy: -66.382 flat angles P-C4'-P energy: -45.050 tors. eta vs tors. theta energy: -12.847 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: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1747.263746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.263746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.263746 (E_RNA) where: Base-Base interactions energy: -1176.173 where: short stacking energy: -526.828 Base-Backbone interact. energy: -0.799 local terms energy: -570.291178 where: bonds (distance) C4'-P energy: -104.491 bonds (distance) P-C4' energy: -103.582 flat angles C4'-P-C4' energy: -131.300 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: -154.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1666.030224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.030224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.030224 (E_RNA) where: Base-Base interactions energy: -1119.816 where: short stacking energy: -482.564 Base-Backbone interact. energy: -5.870 local terms energy: -540.344496 where: bonds (distance) C4'-P energy: -105.058 bonds (distance) P-C4' energy: -102.440 flat angles C4'-P-C4' energy: -120.579 flat angles P-C4'-P energy: -74.194 tors. eta vs tors. theta energy: -138.073 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: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1561.344061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.344061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.344061 (E_RNA) where: Base-Base interactions energy: -1034.202 where: short stacking energy: -475.452 Base-Backbone interact. energy: -4.812 local terms energy: -522.329943 where: bonds (distance) C4'-P energy: -103.706 bonds (distance) P-C4' energy: -102.536 flat angles C4'-P-C4' energy: -119.212 flat angles P-C4'-P energy: -68.087 tors. eta vs tors. theta energy: -128.789 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: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1368.298467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.298467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.298467 (E_RNA) where: Base-Base interactions energy: -868.625 where: short stacking energy: -436.901 Base-Backbone interact. energy: -1.586 local terms energy: -498.088005 where: bonds (distance) C4'-P energy: -110.393 bonds (distance) P-C4' energy: -112.681 flat angles C4'-P-C4' energy: -109.919 flat angles P-C4'-P energy: -59.737 tors. eta vs tors. theta energy: -105.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1265.035985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.035985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.035985 (E_RNA) where: Base-Base interactions energy: -824.464 where: short stacking energy: -362.113 Base-Backbone interact. energy: 0.077 local terms energy: -440.649010 where: bonds (distance) C4'-P energy: -102.541 bonds (distance) P-C4' energy: -92.347 flat angles C4'-P-C4' energy: -105.618 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -84.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1165.931245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.931245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.931245 (E_RNA) where: Base-Base interactions energy: -737.146 where: short stacking energy: -339.680 Base-Backbone interact. energy: -3.208 local terms energy: -425.576950 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -95.807 flat angles C4'-P-C4' energy: -98.011 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -79.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -973.982108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.982108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.982108 (E_RNA) where: Base-Base interactions energy: -602.357 where: short stacking energy: -288.008 Base-Backbone interact. energy: -1.841 local terms energy: -369.784453 where: bonds (distance) C4'-P energy: -76.111 bonds (distance) P-C4' energy: -91.613 flat angles C4'-P-C4' energy: -84.592 flat angles P-C4'-P energy: -67.544 tors. eta vs tors. theta energy: -49.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -749.262180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.262180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.262180 (E_RNA) where: Base-Base interactions energy: -405.316 where: short stacking energy: -221.967 Base-Backbone interact. energy: -0.664 local terms energy: -343.282912 where: bonds (distance) C4'-P energy: -87.461 bonds (distance) P-C4' energy: -106.499 flat angles C4'-P-C4' energy: -73.755 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: -18.980 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: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -615.884565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.884565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.884565 (E_RNA) where: Base-Base interactions energy: -268.887 where: short stacking energy: -172.995 Base-Backbone interact. energy: -4.694 local terms energy: -342.304160 where: bonds (distance) C4'-P energy: -94.399 bonds (distance) P-C4' energy: -95.973 flat angles C4'-P-C4' energy: -101.054 flat angles P-C4'-P energy: -53.305 tors. eta vs tors. theta energy: 2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -556.561592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.561592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.561592 (E_RNA) where: Base-Base interactions energy: -249.220 where: short stacking energy: -132.931 Base-Backbone interact. energy: 1.039 local terms energy: -308.380291 where: bonds (distance) C4'-P energy: -90.204 bonds (distance) P-C4' energy: -99.718 flat angles C4'-P-C4' energy: -88.799 flat angles P-C4'-P energy: -40.017 tors. eta vs tors. theta energy: 10.358 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: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1753.998403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.998403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.998403 (E_RNA) where: Base-Base interactions energy: -1181.848 where: short stacking energy: -551.153 Base-Backbone interact. energy: -1.362 local terms energy: -570.788077 where: bonds (distance) C4'-P energy: -105.461 bonds (distance) P-C4' energy: -94.038 flat angles C4'-P-C4' energy: -126.450 flat angles P-C4'-P energy: -85.318 tors. eta vs tors. theta energy: -159.521 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: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1663.894412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.894412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.894412 (E_RNA) where: Base-Base interactions energy: -1101.176 where: short stacking energy: -483.993 Base-Backbone interact. energy: -3.046 local terms energy: -559.672920 where: bonds (distance) C4'-P energy: -116.782 bonds (distance) P-C4' energy: -106.995 flat angles C4'-P-C4' energy: -115.515 flat angles P-C4'-P energy: -79.530 tors. eta vs tors. theta energy: -140.852 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: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1535.452232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.452232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.452232 (E_RNA) where: Base-Base interactions energy: -1010.567 where: short stacking energy: -444.502 Base-Backbone interact. energy: -3.544 local terms energy: -521.341048 where: bonds (distance) C4'-P energy: -96.660 bonds (distance) P-C4' energy: -106.677 flat angles C4'-P-C4' energy: -125.820 flat angles P-C4'-P energy: -75.869 tors. eta vs tors. theta energy: -116.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1338.672439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.672439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.672439 (E_RNA) where: Base-Base interactions energy: -846.943 where: short stacking energy: -418.977 Base-Backbone interact. energy: -2.008 local terms energy: -489.721518 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -102.738 flat angles C4'-P-C4' energy: -102.994 flat angles P-C4'-P energy: -68.641 tors. eta vs tors. theta energy: -115.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1285.197297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.197297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.197297 (E_RNA) where: Base-Base interactions energy: -820.346 where: short stacking energy: -397.193 Base-Backbone interact. energy: -0.465 local terms energy: -464.386981 where: bonds (distance) C4'-P energy: -86.850 bonds (distance) P-C4' energy: -103.157 flat angles C4'-P-C4' energy: -112.588 flat angles P-C4'-P energy: -64.826 tors. eta vs tors. theta energy: -96.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1164.996974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.996974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.996974 (E_RNA) where: Base-Base interactions energy: -726.895 where: short stacking energy: -326.224 Base-Backbone interact. energy: -2.267 local terms energy: -435.834650 where: bonds (distance) C4'-P energy: -88.959 bonds (distance) P-C4' energy: -99.733 flat angles C4'-P-C4' energy: -97.789 flat angles P-C4'-P energy: -70.202 tors. eta vs tors. theta energy: -79.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -966.126263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.126263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.126263 (E_RNA) where: Base-Base interactions energy: -595.750 where: short stacking energy: -272.962 Base-Backbone interact. energy: -0.027 local terms energy: -370.349131 where: bonds (distance) C4'-P energy: -93.958 bonds (distance) P-C4' energy: -95.939 flat angles C4'-P-C4' energy: -72.390 flat angles P-C4'-P energy: -55.013 tors. eta vs tors. theta energy: -53.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -713.790138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.790138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.790138 (E_RNA) where: Base-Base interactions energy: -389.995 where: short stacking energy: -196.604 Base-Backbone interact. energy: -2.047 local terms energy: -321.748759 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -97.963 flat angles C4'-P-C4' energy: -88.305 flat angles P-C4'-P energy: -38.969 tors. eta vs tors. theta energy: -15.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -565.242472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.242472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.242472 (E_RNA) where: Base-Base interactions energy: -251.801 where: short stacking energy: -165.475 Base-Backbone interact. energy: -0.606 local terms energy: -312.835730 where: bonds (distance) C4'-P energy: -88.187 bonds (distance) P-C4' energy: -73.151 flat angles C4'-P-C4' energy: -81.495 flat angles P-C4'-P energy: -57.066 tors. eta vs tors. theta energy: -12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -607.351506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.351506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.351506 (E_RNA) where: Base-Base interactions energy: -263.535 where: short stacking energy: -162.787 Base-Backbone interact. energy: -1.565 local terms energy: -342.251647 where: bonds (distance) C4'-P energy: -102.705 bonds (distance) P-C4' energy: -89.764 flat angles C4'-P-C4' energy: -96.175 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -7.989 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: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1738.615245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.615245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.615245 (E_RNA) where: Base-Base interactions energy: -1157.885 where: short stacking energy: -530.737 Base-Backbone interact. energy: -2.401 local terms energy: -578.329849 where: bonds (distance) C4'-P energy: -103.240 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -124.634 flat angles P-C4'-P energy: -80.513 tors. eta vs tors. theta energy: -154.273 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: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1657.470616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.470616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.470616 (E_RNA) where: Base-Base interactions energy: -1106.855 where: short stacking energy: -484.218 Base-Backbone interact. energy: -4.129 local terms energy: -546.486336 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -120.307 flat angles P-C4'-P energy: -82.334 tors. eta vs tors. theta energy: -138.767 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: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1526.897092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.897092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.897092 (E_RNA) where: Base-Base interactions energy: -987.936 where: short stacking energy: -490.801 Base-Backbone interact. energy: -2.256 local terms energy: -536.704505 where: bonds (distance) C4'-P energy: -93.514 bonds (distance) P-C4' energy: -103.498 flat angles C4'-P-C4' energy: -118.599 flat angles P-C4'-P energy: -81.857 tors. eta vs tors. theta energy: -139.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1356.427994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.427994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.427994 (E_RNA) where: Base-Base interactions energy: -864.483 where: short stacking energy: -422.649 Base-Backbone interact. energy: -1.554 local terms energy: -490.391669 where: bonds (distance) C4'-P energy: -100.254 bonds (distance) P-C4' energy: -97.772 flat angles C4'-P-C4' energy: -110.388 flat angles P-C4'-P energy: -76.392 tors. eta vs tors. theta energy: -105.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1297.788255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.788255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.788255 (E_RNA) where: Base-Base interactions energy: -850.610 where: short stacking energy: -378.570 Base-Backbone interact. energy: -2.605 local terms energy: -444.572734 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -106.652 flat angles C4'-P-C4' energy: -96.213 flat angles P-C4'-P energy: -69.867 tors. eta vs tors. theta energy: -88.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1182.721124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.721124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.721124 (E_RNA) where: Base-Base interactions energy: -757.162 where: short stacking energy: -334.907 Base-Backbone interact. energy: -1.951 local terms energy: -423.607691 where: bonds (distance) C4'-P energy: -88.812 bonds (distance) P-C4' energy: -94.005 flat angles C4'-P-C4' energy: -114.923 flat angles P-C4'-P energy: -59.508 tors. eta vs tors. theta energy: -66.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1003.032153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.032153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.032153 (E_RNA) where: Base-Base interactions energy: -614.455 where: short stacking energy: -277.546 Base-Backbone interact. energy: 2.502 local terms energy: -391.079566 where: bonds (distance) C4'-P energy: -97.631 bonds (distance) P-C4' energy: -96.278 flat angles C4'-P-C4' energy: -104.540 flat angles P-C4'-P energy: -51.214 tors. eta vs tors. theta energy: -41.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -757.235741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.235741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.235741 (E_RNA) where: Base-Base interactions energy: -396.499 where: short stacking energy: -204.171 Base-Backbone interact. energy: -1.937 local terms energy: -358.799758 where: bonds (distance) C4'-P energy: -84.355 bonds (distance) P-C4' energy: -102.648 flat angles C4'-P-C4' energy: -99.591 flat angles P-C4'-P energy: -52.473 tors. eta vs tors. theta energy: -19.733 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: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -579.259389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.259389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.259389 (E_RNA) where: Base-Base interactions energy: -261.579 where: short stacking energy: -155.999 Base-Backbone interact. energy: 4.477 local terms energy: -322.157991 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -102.918 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -33.590 tors. eta vs tors. theta energy: 1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -557.511111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.511111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.511111 (E_RNA) where: Base-Base interactions energy: -250.233 where: short stacking energy: -145.306 Base-Backbone interact. energy: 0.883 local terms energy: -308.160988 where: bonds (distance) C4'-P energy: -72.227 bonds (distance) P-C4' energy: -99.569 flat angles C4'-P-C4' energy: -85.867 flat angles P-C4'-P energy: -50.440 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: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1753.994906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.994906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.994906 (E_RNA) where: Base-Base interactions energy: -1177.199 where: short stacking energy: -538.774 Base-Backbone interact. energy: -1.756 local terms energy: -575.039508 where: bonds (distance) C4'-P energy: -103.598 bonds (distance) P-C4' energy: -101.732 flat angles C4'-P-C4' energy: -121.125 flat angles P-C4'-P energy: -83.589 tors. eta vs tors. theta energy: -164.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1672.010697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.010697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.010697 (E_RNA) where: Base-Base interactions energy: -1119.717 where: short stacking energy: -486.780 Base-Backbone interact. energy: 0.760 local terms energy: -553.053560 where: bonds (distance) C4'-P energy: -105.688 bonds (distance) P-C4' energy: -113.168 flat angles C4'-P-C4' energy: -117.485 flat angles P-C4'-P energy: -86.720 tors. eta vs tors. theta energy: -129.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1498.708061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.708061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.708061 (E_RNA) where: Base-Base interactions energy: -980.753 where: short stacking energy: -452.440 Base-Backbone interact. energy: -3.007 local terms energy: -514.947594 where: bonds (distance) C4'-P energy: -98.825 bonds (distance) P-C4' energy: -105.190 flat angles C4'-P-C4' energy: -117.093 flat angles P-C4'-P energy: -63.564 tors. eta vs tors. theta energy: -130.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1377.733964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.733964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.733964 (E_RNA) where: Base-Base interactions energy: -904.450 where: short stacking energy: -427.124 Base-Backbone interact. energy: -1.232 local terms energy: -472.051446 where: bonds (distance) C4'-P energy: -88.391 bonds (distance) P-C4' energy: -109.543 flat angles C4'-P-C4' energy: -97.397 flat angles P-C4'-P energy: -57.125 tors. eta vs tors. theta energy: -119.596 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: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1376.443093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.443093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.443093 (E_RNA) where: Base-Base interactions energy: -902.766 where: short stacking energy: -439.795 Base-Backbone interact. energy: -2.782 local terms energy: -470.895291 where: bonds (distance) C4'-P energy: -91.644 bonds (distance) P-C4' energy: -99.876 flat angles C4'-P-C4' energy: -107.131 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: -114.800 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: 135 Temperature: 1.150000 Total energy: -1206.210977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.210977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.210977 (E_RNA) where: Base-Base interactions energy: -769.211 where: short stacking energy: -372.490 Base-Backbone interact. energy: 5.300 local terms energy: -442.300157 where: bonds (distance) C4'-P energy: -90.489 bonds (distance) P-C4' energy: -104.698 flat angles C4'-P-C4' energy: -99.447 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: -97.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -953.808696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.808696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.808696 (E_RNA) where: Base-Base interactions energy: -593.991 where: short stacking energy: -280.316 Base-Backbone interact. energy: -2.826 local terms energy: -356.991919 where: bonds (distance) C4'-P energy: -77.291 bonds (distance) P-C4' energy: -104.887 flat angles C4'-P-C4' energy: -93.649 flat angles P-C4'-P energy: -45.453 tors. eta vs tors. theta energy: -35.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -721.866467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.866467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.866467 (E_RNA) where: Base-Base interactions energy: -393.774 where: short stacking energy: -214.198 Base-Backbone interact. energy: -3.510 local terms energy: -324.582470 where: bonds (distance) C4'-P energy: -94.045 bonds (distance) P-C4' energy: -91.475 flat angles C4'-P-C4' energy: -78.121 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -609.856998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.856998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.856998 (E_RNA) where: Base-Base interactions energy: -313.229 where: short stacking energy: -186.989 Base-Backbone interact. energy: 0.085 local terms energy: -296.713517 where: bonds (distance) C4'-P energy: -98.008 bonds (distance) P-C4' energy: -77.619 flat angles C4'-P-C4' energy: -78.055 flat angles P-C4'-P energy: -50.005 tors. eta vs tors. theta energy: 6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -564.308105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.308105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.308105 (E_RNA) where: Base-Base interactions energy: -254.164 where: short stacking energy: -139.386 Base-Backbone interact. energy: -0.005 local terms energy: -310.139359 where: bonds (distance) C4'-P energy: -94.629 bonds (distance) P-C4' energy: -89.673 flat angles C4'-P-C4' energy: -81.466 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: 3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1738.835338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.835338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.835338 (E_RNA) where: Base-Base interactions energy: -1173.002 where: short stacking energy: -533.969 Base-Backbone interact. energy: -1.128 local terms energy: -564.704804 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -104.332 flat angles C4'-P-C4' energy: -118.311 flat angles P-C4'-P energy: -70.253 tors. eta vs tors. theta energy: -156.108 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: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1655.706494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.706494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.706494 (E_RNA) where: Base-Base interactions energy: -1117.072 where: short stacking energy: -518.701 Base-Backbone interact. energy: -2.338 local terms energy: -536.295791 where: bonds (distance) C4'-P energy: -100.100 bonds (distance) P-C4' energy: -91.130 flat angles C4'-P-C4' energy: -116.450 flat angles P-C4'-P energy: -77.815 tors. eta vs tors. theta energy: -150.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1526.259610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.259610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.259610 (E_RNA) where: Base-Base interactions energy: -989.931 where: short stacking energy: -446.341 Base-Backbone interact. energy: 0.205 local terms energy: -536.532779 where: bonds (distance) C4'-P energy: -95.986 bonds (distance) P-C4' energy: -107.356 flat angles C4'-P-C4' energy: -124.232 flat angles P-C4'-P energy: -82.285 tors. eta vs tors. theta energy: -126.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1437.610080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.610080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.610080 (E_RNA) where: Base-Base interactions energy: -957.093 where: short stacking energy: -445.456 Base-Backbone interact. energy: -1.484 local terms energy: -479.033264 where: bonds (distance) C4'-P energy: -100.079 bonds (distance) P-C4' energy: -96.637 flat angles C4'-P-C4' energy: -110.341 flat angles P-C4'-P energy: -63.763 tors. eta vs tors. theta energy: -108.214 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: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1373.413610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.413610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.413610 (E_RNA) where: Base-Base interactions energy: -907.864 where: short stacking energy: -395.655 Base-Backbone interact. energy: -0.371 local terms energy: -465.178312 where: bonds (distance) C4'-P energy: -87.761 bonds (distance) P-C4' energy: -94.823 flat angles C4'-P-C4' energy: -108.478 flat angles P-C4'-P energy: -72.993 tors. eta vs tors. theta energy: -101.123 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: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1199.824187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.824187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.824187 (E_RNA) where: Base-Base interactions energy: -776.302 where: short stacking energy: -361.255 Base-Backbone interact. energy: -0.503 local terms energy: -423.019144 where: bonds (distance) C4'-P energy: -89.135 bonds (distance) P-C4' energy: -83.554 flat angles C4'-P-C4' energy: -101.585 flat angles P-C4'-P energy: -67.421 tors. eta vs tors. theta energy: -81.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -975.709894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.709894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.709894 (E_RNA) where: Base-Base interactions energy: -589.317 where: short stacking energy: -301.595 Base-Backbone interact. energy: -1.222 local terms energy: -385.170712 where: bonds (distance) C4'-P energy: -81.427 bonds (distance) P-C4' energy: -95.868 flat angles C4'-P-C4' energy: -100.620 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -58.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -715.110523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.110523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.110523 (E_RNA) where: Base-Base interactions energy: -369.533 where: short stacking energy: -194.834 Base-Backbone interact. energy: -0.833 local terms energy: -344.744698 where: bonds (distance) C4'-P energy: -85.002 bonds (distance) P-C4' energy: -96.448 flat angles C4'-P-C4' energy: -95.213 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -13.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -573.615834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.615834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.615834 (E_RNA) where: Base-Base interactions energy: -254.016 where: short stacking energy: -155.063 Base-Backbone interact. energy: 9.135 local terms energy: -328.735193 where: bonds (distance) C4'-P energy: -88.296 bonds (distance) P-C4' energy: -85.559 flat angles C4'-P-C4' energy: -99.899 flat angles P-C4'-P energy: -46.841 tors. eta vs tors. theta energy: -8.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -521.761686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.761686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.761686 (E_RNA) where: Base-Base interactions energy: -221.855 where: short stacking energy: -131.475 Base-Backbone interact. energy: -3.881 local terms energy: -296.025751 where: bonds (distance) C4'-P energy: -93.268 bonds (distance) P-C4' energy: -99.691 flat angles C4'-P-C4' energy: -71.303 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: 13.690 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: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1753.718213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.718213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.718213 (E_RNA) where: Base-Base interactions energy: -1149.826 where: short stacking energy: -529.048 Base-Backbone interact. energy: -4.410 local terms energy: -599.481607 where: bonds (distance) C4'-P energy: -113.497 bonds (distance) P-C4' energy: -110.451 flat angles C4'-P-C4' energy: -128.140 flat angles P-C4'-P energy: -85.012 tors. eta vs tors. theta energy: -162.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1675.204259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.204259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.204259 (E_RNA) where: Base-Base interactions energy: -1138.676 where: short stacking energy: -503.643 Base-Backbone interact. energy: 1.344 local terms energy: -537.872526 where: bonds (distance) C4'-P energy: -102.891 bonds (distance) P-C4' energy: -106.323 flat angles C4'-P-C4' energy: -116.478 flat angles P-C4'-P energy: -68.615 tors. eta vs tors. theta energy: -143.566 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: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1499.672173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.672173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.672173 (E_RNA) where: Base-Base interactions energy: -951.903 where: short stacking energy: -450.254 Base-Backbone interact. energy: -4.432 local terms energy: -543.337612 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -106.619 flat angles C4'-P-C4' energy: -119.411 flat angles P-C4'-P energy: -79.072 tors. eta vs tors. theta energy: -137.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1459.087205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.087205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.087205 (E_RNA) where: Base-Base interactions energy: -927.079 where: short stacking energy: -452.812 Base-Backbone interact. energy: -2.504 local terms energy: -529.504348 where: bonds (distance) C4'-P energy: -103.203 bonds (distance) P-C4' energy: -107.572 flat angles C4'-P-C4' energy: -120.512 flat angles P-C4'-P energy: -67.493 tors. eta vs tors. theta energy: -130.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1378.355765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.355765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.355765 (E_RNA) where: Base-Base interactions energy: -901.994 where: short stacking energy: -393.517 Base-Backbone interact. energy: 0.198 local terms energy: -476.559799 where: bonds (distance) C4'-P energy: -84.409 bonds (distance) P-C4' energy: -106.850 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -74.466 tors. eta vs tors. theta energy: -102.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1179.255838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.255838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.255838 (E_RNA) where: Base-Base interactions energy: -743.979 where: short stacking energy: -355.460 Base-Backbone interact. energy: 1.748 local terms energy: -437.024329 where: bonds (distance) C4'-P energy: -86.128 bonds (distance) P-C4' energy: -98.658 flat angles C4'-P-C4' energy: -107.386 flat angles P-C4'-P energy: -64.245 tors. eta vs tors. theta energy: -80.608 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: 137 Temperature: 1.200000 Total energy: -941.382633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.382633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.382633 (E_RNA) where: Base-Base interactions energy: -539.368 where: short stacking energy: -253.824 Base-Backbone interact. energy: -3.165 local terms energy: -398.849547 where: bonds (distance) C4'-P energy: -101.171 bonds (distance) P-C4' energy: -92.710 flat angles C4'-P-C4' energy: -105.621 flat angles P-C4'-P energy: -62.903 tors. eta vs tors. theta energy: -36.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -747.391707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.391707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.391707 (E_RNA) where: Base-Base interactions energy: -394.833 where: short stacking energy: -230.177 Base-Backbone interact. energy: 0.608 local terms energy: -353.166495 where: bonds (distance) C4'-P energy: -88.650 bonds (distance) P-C4' energy: -102.953 flat angles C4'-P-C4' energy: -93.718 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: -23.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -630.273048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.273048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.273048 (E_RNA) where: Base-Base interactions energy: -314.987 where: short stacking energy: -194.842 Base-Backbone interact. energy: -1.261 local terms energy: -314.024964 where: bonds (distance) C4'-P energy: -85.477 bonds (distance) P-C4' energy: -95.919 flat angles C4'-P-C4' energy: -88.347 flat angles P-C4'-P energy: -46.143 tors. eta vs tors. theta energy: 1.861 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: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -511.459349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.459349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.459349 (E_RNA) where: Base-Base interactions energy: -214.468 where: short stacking energy: -134.309 Base-Backbone interact. energy: -0.904 local terms energy: -296.087823 where: bonds (distance) C4'-P energy: -95.051 bonds (distance) P-C4' energy: -87.391 flat angles C4'-P-C4' energy: -83.296 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: 16.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1757.030601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.030601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.030601 (E_RNA) where: Base-Base interactions energy: -1167.486 where: short stacking energy: -553.101 Base-Backbone interact. energy: -3.247 local terms energy: -586.298285 where: bonds (distance) C4'-P energy: -109.721 bonds (distance) P-C4' energy: -99.352 flat angles C4'-P-C4' energy: -120.973 flat angles P-C4'-P energy: -95.308 tors. eta vs tors. theta energy: -160.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1643.200673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.200673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.200673 (E_RNA) where: Base-Base interactions energy: -1102.945 where: short stacking energy: -467.427 Base-Backbone interact. energy: -3.101 local terms energy: -537.154669 where: bonds (distance) C4'-P energy: -95.786 bonds (distance) P-C4' energy: -111.971 flat angles C4'-P-C4' energy: -118.175 flat angles P-C4'-P energy: -76.198 tors. eta vs tors. theta energy: -135.024 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: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1498.465815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.465815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.465815 (E_RNA) where: Base-Base interactions energy: -977.081 where: short stacking energy: -441.716 Base-Backbone interact. energy: -2.155 local terms energy: -519.229806 where: bonds (distance) C4'-P energy: -105.512 bonds (distance) P-C4' energy: -101.326 flat angles C4'-P-C4' energy: -116.231 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -131.518 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: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1363.695921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.695921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.695921 (E_RNA) where: Base-Base interactions energy: -866.163 where: short stacking energy: -425.866 Base-Backbone interact. energy: -1.796 local terms energy: -495.737540 where: bonds (distance) C4'-P energy: -101.794 bonds (distance) P-C4' energy: -103.351 flat angles C4'-P-C4' energy: -118.127 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -99.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1370.719980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.719980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.719980 (E_RNA) where: Base-Base interactions energy: -911.288 where: short stacking energy: -408.332 Base-Backbone interact. energy: 5.085 local terms energy: -464.516965 where: bonds (distance) C4'-P energy: -100.111 bonds (distance) P-C4' energy: -108.692 flat angles C4'-P-C4' energy: -99.471 flat angles P-C4'-P energy: -65.489 tors. eta vs tors. theta energy: -90.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1137.382264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.382264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.382264 (E_RNA) where: Base-Base interactions energy: -712.844 where: short stacking energy: -330.847 Base-Backbone interact. energy: -2.014 local terms energy: -422.524751 where: bonds (distance) C4'-P energy: -99.810 bonds (distance) P-C4' energy: -102.913 flat angles C4'-P-C4' energy: -103.684 flat angles P-C4'-P energy: -44.028 tors. eta vs tors. theta energy: -72.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -954.262326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.262326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.262326 (E_RNA) where: Base-Base interactions energy: -564.473 where: short stacking energy: -273.276 Base-Backbone interact. energy: 0.739 local terms energy: -390.528836 where: bonds (distance) C4'-P energy: -87.838 bonds (distance) P-C4' energy: -101.392 flat angles C4'-P-C4' energy: -98.143 flat angles P-C4'-P energy: -68.854 tors. eta vs tors. theta energy: -34.302 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: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -733.107440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.107440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.107440 (E_RNA) where: Base-Base interactions energy: -400.054 where: short stacking energy: -205.425 Base-Backbone interact. energy: 1.410 local terms energy: -334.463822 where: bonds (distance) C4'-P energy: -95.487 bonds (distance) P-C4' energy: -94.605 flat angles C4'-P-C4' energy: -76.791 flat angles P-C4'-P energy: -52.684 tors. eta vs tors. theta energy: -14.897 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: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -643.378635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.378635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.378635 (E_RNA) where: Base-Base interactions energy: -338.051 where: short stacking energy: -207.757 Base-Backbone interact. energy: -1.608 local terms energy: -303.719936 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -93.654 flat angles C4'-P-C4' energy: -82.841 flat angles P-C4'-P energy: -44.824 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -541.220114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.220114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.220114 (E_RNA) where: Base-Base interactions energy: -259.028 where: short stacking energy: -145.279 Base-Backbone interact. energy: 3.487 local terms energy: -285.679049 where: bonds (distance) C4'-P energy: -70.171 bonds (distance) P-C4' energy: -95.122 flat angles C4'-P-C4' energy: -77.438 flat angles P-C4'-P energy: -50.845 tors. eta vs tors. theta energy: 7.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1758.748134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.748134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.748134 (E_RNA) where: Base-Base interactions energy: -1170.597 where: short stacking energy: -539.651 Base-Backbone interact. energy: -3.786 local terms energy: -584.364575 where: bonds (distance) C4'-P energy: -107.052 bonds (distance) P-C4' energy: -110.980 flat angles C4'-P-C4' energy: -123.087 flat angles P-C4'-P energy: -84.631 tors. eta vs tors. theta energy: -158.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1645.281085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.281085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.281085 (E_RNA) where: Base-Base interactions energy: -1096.152 where: short stacking energy: -510.072 Base-Backbone interact. energy: -1.882 local terms energy: -547.247496 where: bonds (distance) C4'-P energy: -99.759 bonds (distance) P-C4' energy: -101.512 flat angles C4'-P-C4' energy: -121.070 flat angles P-C4'-P energy: -80.657 tors. eta vs tors. theta energy: -144.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1507.237292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.237292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.237292 (E_RNA) where: Base-Base interactions energy: -988.006 where: short stacking energy: -440.679 Base-Backbone interact. energy: 2.990 local terms energy: -522.221374 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -115.328 flat angles C4'-P-C4' energy: -118.353 flat angles P-C4'-P energy: -72.713 tors. eta vs tors. theta energy: -126.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1412.933450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.933450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.933450 (E_RNA) where: Base-Base interactions energy: -913.104 where: short stacking energy: -438.113 Base-Backbone interact. energy: -3.447 local terms energy: -496.382340 where: bonds (distance) C4'-P energy: -94.467 bonds (distance) P-C4' energy: -100.971 flat angles C4'-P-C4' energy: -115.056 flat angles P-C4'-P energy: -74.909 tors. eta vs tors. theta energy: -110.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1287.511818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.511818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.511818 (E_RNA) where: Base-Base interactions energy: -806.931 where: short stacking energy: -371.243 Base-Backbone interact. energy: -1.833 local terms energy: -478.748692 where: bonds (distance) C4'-P energy: -94.881 bonds (distance) P-C4' energy: -115.746 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -56.060 tors. eta vs tors. theta energy: -98.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1171.195733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.195733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.195733 (E_RNA) where: Base-Base interactions energy: -732.852 where: short stacking energy: -339.253 Base-Backbone interact. energy: -3.253 local terms energy: -435.091224 where: bonds (distance) C4'-P energy: -86.487 bonds (distance) P-C4' energy: -105.743 flat angles C4'-P-C4' energy: -106.661 flat angles P-C4'-P energy: -56.920 tors. eta vs tors. theta energy: -79.280 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: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -992.466113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.466113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.466113 (E_RNA) where: Base-Base interactions energy: -617.090 where: short stacking energy: -325.342 Base-Backbone interact. energy: 4.536 local terms energy: -379.912279 where: bonds (distance) C4'-P energy: -93.223 bonds (distance) P-C4' energy: -101.101 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -49.501 tors. eta vs tors. theta energy: -68.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -761.419828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.419828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.419828 (E_RNA) where: Base-Base interactions energy: -425.141 where: short stacking energy: -228.487 Base-Backbone interact. energy: -2.023 local terms energy: -334.255668 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -100.422 flat angles C4'-P-C4' energy: -68.900 flat angles P-C4'-P energy: -54.998 tors. eta vs tors. theta energy: -25.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -627.401482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.401482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.401482 (E_RNA) where: Base-Base interactions energy: -317.508 where: short stacking energy: -218.406 Base-Backbone interact. energy: -2.354 local terms energy: -307.539410 where: bonds (distance) C4'-P energy: -81.106 bonds (distance) P-C4' energy: -107.134 flat angles C4'-P-C4' energy: -69.982 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -0.155 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: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -565.831692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.831692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.831692 (E_RNA) where: Base-Base interactions energy: -254.293 where: short stacking energy: -169.588 Base-Backbone interact. energy: -0.029 local terms energy: -311.509439 where: bonds (distance) C4'-P energy: -88.262 bonds (distance) P-C4' energy: -92.112 flat angles C4'-P-C4' energy: -82.630 flat angles P-C4'-P energy: -52.044 tors. eta vs tors. theta energy: 3.540 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: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1778.294567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.294567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.294567 (E_RNA) where: Base-Base interactions energy: -1174.479 where: short stacking energy: -548.308 Base-Backbone interact. energy: -4.201 local terms energy: -599.614725 where: bonds (distance) C4'-P energy: -113.398 bonds (distance) P-C4' energy: -111.857 flat angles C4'-P-C4' energy: -129.341 flat angles P-C4'-P energy: -82.634 tors. eta vs tors. theta energy: -162.385 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: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1643.463593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.463593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.463593 (E_RNA) where: Base-Base interactions energy: -1086.701 where: short stacking energy: -478.392 Base-Backbone interact. energy: -1.188 local terms energy: -555.574304 where: bonds (distance) C4'-P energy: -95.179 bonds (distance) P-C4' energy: -113.348 flat angles C4'-P-C4' energy: -125.386 flat angles P-C4'-P energy: -80.470 tors. eta vs tors. theta energy: -141.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1501.916204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.916204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.916204 (E_RNA) where: Base-Base interactions energy: -992.511 where: short stacking energy: -498.662 Base-Backbone interact. energy: -0.405 local terms energy: -508.999830 where: bonds (distance) C4'-P energy: -100.910 bonds (distance) P-C4' energy: -103.321 flat angles C4'-P-C4' energy: -115.400 flat angles P-C4'-P energy: -57.995 tors. eta vs tors. theta energy: -131.374 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: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1359.597007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.597007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.597007 (E_RNA) where: Base-Base interactions energy: -875.740 where: short stacking energy: -382.604 Base-Backbone interact. energy: 0.431 local terms energy: -484.288699 where: bonds (distance) C4'-P energy: -110.568 bonds (distance) P-C4' energy: -103.109 flat angles C4'-P-C4' energy: -107.115 flat angles P-C4'-P energy: -73.102 tors. eta vs tors. theta energy: -90.395 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: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1286.886112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.886112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.886112 (E_RNA) where: Base-Base interactions energy: -812.797 where: short stacking energy: -382.091 Base-Backbone interact. energy: -1.018 local terms energy: -473.070537 where: bonds (distance) C4'-P energy: -98.588 bonds (distance) P-C4' energy: -98.674 flat angles C4'-P-C4' energy: -103.957 flat angles P-C4'-P energy: -62.803 tors. eta vs tors. theta energy: -109.049 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: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1234.128687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.128687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.128687 (E_RNA) where: Base-Base interactions energy: -816.962 where: short stacking energy: -371.813 Base-Backbone interact. energy: 0.398 local terms energy: -417.564389 where: bonds (distance) C4'-P energy: -98.437 bonds (distance) P-C4' energy: -87.443 flat angles C4'-P-C4' energy: -91.003 flat angles P-C4'-P energy: -56.181 tors. eta vs tors. theta energy: -84.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -980.462871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.462871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.462871 (E_RNA) where: Base-Base interactions energy: -596.706 where: short stacking energy: -283.771 Base-Backbone interact. energy: 4.609 local terms energy: -388.366596 where: bonds (distance) C4'-P energy: -94.671 bonds (distance) P-C4' energy: -113.605 flat angles C4'-P-C4' energy: -82.769 flat angles P-C4'-P energy: -55.282 tors. eta vs tors. theta energy: -42.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -806.684831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.684831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.684831 (E_RNA) where: Base-Base interactions energy: -430.736 where: short stacking energy: -205.274 Base-Backbone interact. energy: -0.596 local terms energy: -375.353202 where: bonds (distance) C4'-P energy: -92.300 bonds (distance) P-C4' energy: -98.579 flat angles C4'-P-C4' energy: -95.927 flat angles P-C4'-P energy: -62.201 tors. eta vs tors. theta energy: -26.347 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: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -654.546536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.546536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.546536 (E_RNA) where: Base-Base interactions energy: -330.486 where: short stacking energy: -204.937 Base-Backbone interact. energy: -0.474 local terms energy: -323.586368 where: bonds (distance) C4'-P energy: -102.453 bonds (distance) P-C4' energy: -78.130 flat angles C4'-P-C4' energy: -78.304 flat angles P-C4'-P energy: -46.417 tors. eta vs tors. theta energy: -18.281 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: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -578.675265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.675265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.675265 (E_RNA) where: Base-Base interactions energy: -287.861 where: short stacking energy: -169.362 Base-Backbone interact. energy: 4.779 local terms energy: -295.593387 where: bonds (distance) C4'-P energy: -71.115 bonds (distance) P-C4' energy: -104.076 flat angles C4'-P-C4' energy: -78.264 flat angles P-C4'-P energy: -51.081 tors. eta vs tors. theta energy: 8.942 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: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1763.149616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.149616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.149616 (E_RNA) where: Base-Base interactions energy: -1165.125 where: short stacking energy: -539.187 Base-Backbone interact. energy: -1.172 local terms energy: -596.851827 where: bonds (distance) C4'-P energy: -103.327 bonds (distance) P-C4' energy: -106.512 flat angles C4'-P-C4' energy: -132.008 flat angles P-C4'-P energy: -94.406 tors. eta vs tors. theta energy: -160.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1643.024340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.024340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.024340 (E_RNA) where: Base-Base interactions energy: -1103.549 where: short stacking energy: -483.229 Base-Backbone interact. energy: -3.676 local terms energy: -535.798892 where: bonds (distance) C4'-P energy: -104.759 bonds (distance) P-C4' energy: -102.148 flat angles C4'-P-C4' energy: -112.955 flat angles P-C4'-P energy: -81.819 tors. eta vs tors. theta energy: -134.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1511.739194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.739194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.739194 (E_RNA) where: Base-Base interactions energy: -984.708 where: short stacking energy: -475.270 Base-Backbone interact. energy: -2.593 local terms energy: -524.438273 where: bonds (distance) C4'-P energy: -91.341 bonds (distance) P-C4' energy: -120.891 flat angles C4'-P-C4' energy: -106.063 flat angles P-C4'-P energy: -78.135 tors. eta vs tors. theta energy: -128.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1420.503726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.503726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.503726 (E_RNA) where: Base-Base interactions energy: -926.241 where: short stacking energy: -443.035 Base-Backbone interact. energy: 8.236 local terms energy: -502.498411 where: bonds (distance) C4'-P energy: -100.040 bonds (distance) P-C4' energy: -99.632 flat angles C4'-P-C4' energy: -117.420 flat angles P-C4'-P energy: -74.085 tors. eta vs tors. theta energy: -111.321 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: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1225.964525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.964525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.964525 (E_RNA) where: Base-Base interactions energy: -787.644 where: short stacking energy: -372.576 Base-Backbone interact. energy: -2.678 local terms energy: -435.642538 where: bonds (distance) C4'-P energy: -80.503 bonds (distance) P-C4' energy: -97.810 flat angles C4'-P-C4' energy: -105.954 flat angles P-C4'-P energy: -70.540 tors. eta vs tors. theta energy: -80.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1188.095871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.095871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.095871 (E_RNA) where: Base-Base interactions energy: -756.615 where: short stacking energy: -325.958 Base-Backbone interact. energy: 4.399 local terms energy: -435.879828 where: bonds (distance) C4'-P energy: -88.042 bonds (distance) P-C4' energy: -100.762 flat angles C4'-P-C4' energy: -111.917 flat angles P-C4'-P energy: -62.171 tors. eta vs tors. theta energy: -72.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1055.802317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.802317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.802317 (E_RNA) where: Base-Base interactions energy: -642.737 where: short stacking energy: -282.612 Base-Backbone interact. energy: -1.783 local terms energy: -411.282469 where: bonds (distance) C4'-P energy: -100.702 bonds (distance) P-C4' energy: -85.104 flat angles C4'-P-C4' energy: -101.880 flat angles P-C4'-P energy: -67.883 tors. eta vs tors. theta energy: -55.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -781.119235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.119235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.119235 (E_RNA) where: Base-Base interactions energy: -453.845 where: short stacking energy: -240.316 Base-Backbone interact. energy: 0.133 local terms energy: -327.407353 where: bonds (distance) C4'-P energy: -89.831 bonds (distance) P-C4' energy: -90.759 flat angles C4'-P-C4' energy: -82.293 flat angles P-C4'-P energy: -37.037 tors. eta vs tors. theta energy: -27.488 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: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -632.182652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.182652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.182652 (E_RNA) where: Base-Base interactions energy: -291.977 where: short stacking energy: -182.233 Base-Backbone interact. energy: 2.005 local terms energy: -342.211053 where: bonds (distance) C4'-P energy: -93.666 bonds (distance) P-C4' energy: -113.352 flat angles C4'-P-C4' energy: -71.982 flat angles P-C4'-P energy: -57.896 tors. eta vs tors. theta energy: -5.315 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: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -546.238372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.238372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.238372 (E_RNA) where: Base-Base interactions energy: -288.500 where: short stacking energy: -152.539 Base-Backbone interact. energy: -1.511 local terms energy: -256.227353 where: bonds (distance) C4'-P energy: -80.705 bonds (distance) P-C4' energy: -83.621 flat angles C4'-P-C4' energy: -68.300 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: 10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1764.737453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.737453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.737453 (E_RNA) where: Base-Base interactions energy: -1163.973 where: short stacking energy: -537.104 Base-Backbone interact. energy: -1.142 local terms energy: -599.621877 where: bonds (distance) C4'-P energy: -119.159 bonds (distance) P-C4' energy: -110.420 flat angles C4'-P-C4' energy: -128.121 flat angles P-C4'-P energy: -77.425 tors. eta vs tors. theta energy: -164.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1658.165367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.165367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.165367 (E_RNA) where: Base-Base interactions energy: -1134.312 where: short stacking energy: -496.054 Base-Backbone interact. energy: -4.588 local terms energy: -519.265827 where: bonds (distance) C4'-P energy: -95.730 bonds (distance) P-C4' energy: -107.667 flat angles C4'-P-C4' energy: -108.113 flat angles P-C4'-P energy: -80.282 tors. eta vs tors. theta energy: -127.474 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: 142 Temperature: 1.000000 Total energy: -1531.504314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.504314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.504314 (E_RNA) where: Base-Base interactions energy: -1017.833 where: short stacking energy: -459.575 Base-Backbone interact. energy: -5.669 local terms energy: -508.002357 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -103.699 flat angles C4'-P-C4' energy: -96.989 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: -135.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1387.144362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.144362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.144362 (E_RNA) where: Base-Base interactions energy: -884.337 where: short stacking energy: -409.329 Base-Backbone interact. energy: -1.887 local terms energy: -500.919971 where: bonds (distance) C4'-P energy: -113.927 bonds (distance) P-C4' energy: -92.093 flat angles C4'-P-C4' energy: -121.832 flat angles P-C4'-P energy: -68.482 tors. eta vs tors. theta energy: -104.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1240.308617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.308617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.308617 (E_RNA) where: Base-Base interactions energy: -781.042 where: short stacking energy: -379.751 Base-Backbone interact. energy: -0.621 local terms energy: -458.646091 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -95.761 flat angles C4'-P-C4' energy: -105.882 flat angles P-C4'-P energy: -79.741 tors. eta vs tors. theta energy: -81.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1106.803729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.803729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.803729 (E_RNA) where: Base-Base interactions energy: -658.357 where: short stacking energy: -335.924 Base-Backbone interact. energy: -1.241 local terms energy: -447.205747 where: bonds (distance) C4'-P energy: -89.628 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -109.012 flat angles P-C4'-P energy: -68.063 tors. eta vs tors. theta energy: -80.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1028.182839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.182839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.182839 (E_RNA) where: Base-Base interactions energy: -638.734 where: short stacking energy: -266.455 Base-Backbone interact. energy: -2.431 local terms energy: -387.017757 where: bonds (distance) C4'-P energy: -78.109 bonds (distance) P-C4' energy: -109.729 flat angles C4'-P-C4' energy: -103.186 flat angles P-C4'-P energy: -52.087 tors. eta vs tors. theta energy: -43.907 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: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -782.745443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.745443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.745443 (E_RNA) where: Base-Base interactions energy: -437.616 where: short stacking energy: -237.145 Base-Backbone interact. energy: -0.373 local terms energy: -344.756248 where: bonds (distance) C4'-P energy: -84.185 bonds (distance) P-C4' energy: -94.549 flat angles C4'-P-C4' energy: -91.233 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -27.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -640.808135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.808135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.808135 (E_RNA) where: Base-Base interactions energy: -317.576 where: short stacking energy: -179.113 Base-Backbone interact. energy: 1.420 local terms energy: -324.652340 where: bonds (distance) C4'-P energy: -97.525 bonds (distance) P-C4' energy: -68.067 flat angles C4'-P-C4' energy: -80.693 flat angles P-C4'-P energy: -60.061 tors. eta vs tors. theta energy: -18.307 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: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -556.883783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.883783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.883783 (E_RNA) where: Base-Base interactions energy: -267.854 where: short stacking energy: -156.626 Base-Backbone interact. energy: -0.449 local terms energy: -288.580420 where: bonds (distance) C4'-P energy: -78.441 bonds (distance) P-C4' energy: -89.445 flat angles C4'-P-C4' energy: -81.468 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: 12.839 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: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1763.841275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.841275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.841275 (E_RNA) where: Base-Base interactions energy: -1181.478 where: short stacking energy: -528.413 Base-Backbone interact. energy: -2.037 local terms energy: -580.326705 where: bonds (distance) C4'-P energy: -105.066 bonds (distance) P-C4' energy: -117.523 flat angles C4'-P-C4' energy: -119.992 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -155.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1639.683784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.683784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.683784 (E_RNA) where: Base-Base interactions energy: -1090.780 where: short stacking energy: -460.457 Base-Backbone interact. energy: -0.739 local terms energy: -548.165492 where: bonds (distance) C4'-P energy: -112.479 bonds (distance) P-C4' energy: -111.264 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -80.342 tors. eta vs tors. theta energy: -128.605 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: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1549.232786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.232786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.232786 (E_RNA) where: Base-Base interactions energy: -1021.179 where: short stacking energy: -504.257 Base-Backbone interact. energy: -3.864 local terms energy: -524.189165 where: bonds (distance) C4'-P energy: -96.151 bonds (distance) P-C4' energy: -108.199 flat angles C4'-P-C4' energy: -107.025 flat angles P-C4'-P energy: -68.129 tors. eta vs tors. theta energy: -144.686 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: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1424.686139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.686139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.686139 (E_RNA) where: Base-Base interactions energy: -920.277 where: short stacking energy: -427.764 Base-Backbone interact. energy: -3.430 local terms energy: -500.979832 where: bonds (distance) C4'-P energy: -119.447 bonds (distance) P-C4' energy: -98.544 flat angles C4'-P-C4' energy: -108.673 flat angles P-C4'-P energy: -67.503 tors. eta vs tors. theta energy: -106.813 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: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1233.835842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.835842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.835842 (E_RNA) where: Base-Base interactions energy: -779.589 where: short stacking energy: -377.933 Base-Backbone interact. energy: -6.674 local terms energy: -447.572752 where: bonds (distance) C4'-P energy: -95.649 bonds (distance) P-C4' energy: -98.194 flat angles C4'-P-C4' energy: -103.959 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: -85.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1080.886617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.886617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.886617 (E_RNA) where: Base-Base interactions energy: -647.520 where: short stacking energy: -314.539 Base-Backbone interact. energy: -1.200 local terms energy: -432.167114 where: bonds (distance) C4'-P energy: -98.881 bonds (distance) P-C4' energy: -96.599 flat angles C4'-P-C4' energy: -96.039 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -63.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1053.733871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.733871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.733871 (E_RNA) where: Base-Base interactions energy: -646.110 where: short stacking energy: -292.622 Base-Backbone interact. energy: -0.776 local terms energy: -406.847504 where: bonds (distance) C4'-P energy: -87.656 bonds (distance) P-C4' energy: -111.013 flat angles C4'-P-C4' energy: -91.556 flat angles P-C4'-P energy: -65.577 tors. eta vs tors. theta energy: -51.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -771.800208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.800208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.800208 (E_RNA) where: Base-Base interactions energy: -425.940 where: short stacking energy: -206.625 Base-Backbone interact. energy: -2.495 local terms energy: -343.365018 where: bonds (distance) C4'-P energy: -98.042 bonds (distance) P-C4' energy: -99.928 flat angles C4'-P-C4' energy: -88.690 flat angles P-C4'-P energy: -49.890 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: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -597.853435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.853435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.853435 (E_RNA) where: Base-Base interactions energy: -304.038 where: short stacking energy: -163.848 Base-Backbone interact. energy: 1.192 local terms energy: -295.007220 where: bonds (distance) C4'-P energy: -86.545 bonds (distance) P-C4' energy: -87.211 flat angles C4'-P-C4' energy: -76.824 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: 4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -596.596937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.596937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.596937 (E_RNA) where: Base-Base interactions energy: -288.883 where: short stacking energy: -156.434 Base-Backbone interact. energy: -0.923 local terms energy: -306.790280 where: bonds (distance) C4'-P energy: -86.151 bonds (distance) P-C4' energy: -88.394 flat angles C4'-P-C4' energy: -87.058 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1773.984083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.984083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.984083 (E_RNA) where: Base-Base interactions energy: -1186.110 where: short stacking energy: -556.441 Base-Backbone interact. energy: -4.742 local terms energy: -583.132636 where: bonds (distance) C4'-P energy: -90.271 bonds (distance) P-C4' energy: -115.996 flat angles C4'-P-C4' energy: -125.526 flat angles P-C4'-P energy: -88.361 tors. eta vs tors. theta energy: -162.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1628.384671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.384671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.384671 (E_RNA) where: Base-Base interactions energy: -1076.330 where: short stacking energy: -464.346 Base-Backbone interact. energy: -5.812 local terms energy: -546.242324 where: bonds (distance) C4'-P energy: -104.276 bonds (distance) P-C4' energy: -102.420 flat angles C4'-P-C4' energy: -120.837 flat angles P-C4'-P energy: -86.578 tors. eta vs tors. theta energy: -132.132 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: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1523.547470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.547470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.547470 (E_RNA) where: Base-Base interactions energy: -988.376 where: short stacking energy: -479.070 Base-Backbone interact. energy: -4.861 local terms energy: -530.310496 where: bonds (distance) C4'-P energy: -105.232 bonds (distance) P-C4' energy: -98.996 flat angles C4'-P-C4' energy: -123.982 flat angles P-C4'-P energy: -72.344 tors. eta vs tors. theta energy: -129.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1421.697894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.697894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.697894 (E_RNA) where: Base-Base interactions energy: -933.281 where: short stacking energy: -432.856 Base-Backbone interact. energy: 0.580 local terms energy: -488.996804 where: bonds (distance) C4'-P energy: -97.202 bonds (distance) P-C4' energy: -110.606 flat angles C4'-P-C4' energy: -101.593 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -105.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1269.418004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.418004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.418004 (E_RNA) where: Base-Base interactions energy: -803.709 where: short stacking energy: -363.485 Base-Backbone interact. energy: -2.644 local terms energy: -463.064781 where: bonds (distance) C4'-P energy: -109.191 bonds (distance) P-C4' energy: -100.592 flat angles C4'-P-C4' energy: -103.313 flat angles P-C4'-P energy: -74.022 tors. eta vs tors. theta energy: -75.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1149.816508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.816508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.816508 (E_RNA) where: Base-Base interactions energy: -737.797 where: short stacking energy: -328.341 Base-Backbone interact. energy: 1.013 local terms energy: -413.031929 where: bonds (distance) C4'-P energy: -103.309 bonds (distance) P-C4' energy: -101.617 flat angles C4'-P-C4' energy: -81.326 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: -67.443 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: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1047.190580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.190580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.190580 (E_RNA) where: Base-Base interactions energy: -645.182 where: short stacking energy: -322.874 Base-Backbone interact. energy: 1.602 local terms energy: -403.610282 where: bonds (distance) C4'-P energy: -75.514 bonds (distance) P-C4' energy: -104.203 flat angles C4'-P-C4' energy: -105.591 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: -63.718 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: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -843.492863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.492863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.492863 (E_RNA) where: Base-Base interactions energy: -485.104 where: short stacking energy: -245.703 Base-Backbone interact. energy: 1.892 local terms energy: -360.281702 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -95.125 flat angles C4'-P-C4' energy: -80.350 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: -39.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -587.809990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.809990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.809990 (E_RNA) where: Base-Base interactions energy: -246.797 where: short stacking energy: -164.039 Base-Backbone interact. energy: 0.896 local terms energy: -341.908733 where: bonds (distance) C4'-P energy: -89.257 bonds (distance) P-C4' energy: -85.859 flat angles C4'-P-C4' energy: -89.999 flat angles P-C4'-P energy: -68.328 tors. eta vs tors. theta energy: -8.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -592.378414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.378414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.378414 (E_RNA) where: Base-Base interactions energy: -284.101 where: short stacking energy: -174.470 Base-Backbone interact. energy: 0.400 local terms energy: -308.678094 where: bonds (distance) C4'-P energy: -86.800 bonds (distance) P-C4' energy: -82.721 flat angles C4'-P-C4' energy: -81.421 flat angles P-C4'-P energy: -47.495 tors. eta vs tors. theta energy: -10.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1750.091712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.091712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.091712 (E_RNA) where: Base-Base interactions energy: -1164.138 where: short stacking energy: -548.518 Base-Backbone interact. energy: -5.124 local terms energy: -580.830494 where: bonds (distance) C4'-P energy: -104.605 bonds (distance) P-C4' energy: -107.441 flat angles C4'-P-C4' energy: -118.354 flat angles P-C4'-P energy: -84.011 tors. eta vs tors. theta energy: -166.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1622.507973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.507973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.507973 (E_RNA) where: Base-Base interactions energy: -1077.060 where: short stacking energy: -471.921 Base-Backbone interact. energy: -6.578 local terms energy: -538.870430 where: bonds (distance) C4'-P energy: -101.212 bonds (distance) P-C4' energy: -99.717 flat angles C4'-P-C4' energy: -125.882 flat angles P-C4'-P energy: -84.192 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: 3, replica: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1522.697820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.697820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.697820 (E_RNA) where: Base-Base interactions energy: -979.027 where: short stacking energy: -452.258 Base-Backbone interact. energy: -3.505 local terms energy: -540.166299 where: bonds (distance) C4'-P energy: -108.783 bonds (distance) P-C4' energy: -113.423 flat angles C4'-P-C4' energy: -108.716 flat angles P-C4'-P energy: -82.283 tors. eta vs tors. theta energy: -126.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1420.967325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.967325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.967325 (E_RNA) where: Base-Base interactions energy: -923.727 where: short stacking energy: -404.188 Base-Backbone interact. energy: -0.386 local terms energy: -496.854265 where: bonds (distance) C4'-P energy: -100.868 bonds (distance) P-C4' energy: -114.152 flat angles C4'-P-C4' energy: -114.997 flat angles P-C4'-P energy: -65.803 tors. eta vs tors. theta energy: -101.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1287.869216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.869216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.869216 (E_RNA) where: Base-Base interactions energy: -843.270 where: short stacking energy: -406.023 Base-Backbone interact. energy: -1.052 local terms energy: -443.547347 where: bonds (distance) C4'-P energy: -101.111 bonds (distance) P-C4' energy: -84.710 flat angles C4'-P-C4' energy: -106.941 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: -91.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1128.920070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.920070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.920070 (E_RNA) where: Base-Base interactions energy: -702.969 where: short stacking energy: -307.772 Base-Backbone interact. energy: -3.233 local terms energy: -422.718720 where: bonds (distance) C4'-P energy: -98.209 bonds (distance) P-C4' energy: -83.943 flat angles C4'-P-C4' energy: -98.375 flat angles P-C4'-P energy: -78.539 tors. eta vs tors. theta energy: -63.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1077.549698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.549698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.549698 (E_RNA) where: Base-Base interactions energy: -669.339 where: short stacking energy: -325.775 Base-Backbone interact. energy: -0.334 local terms energy: -407.876130 where: bonds (distance) C4'-P energy: -83.133 bonds (distance) P-C4' energy: -93.451 flat angles C4'-P-C4' energy: -100.151 flat angles P-C4'-P energy: -72.950 tors. eta vs tors. theta energy: -58.191 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: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -816.628131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.628131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.628131 (E_RNA) where: Base-Base interactions energy: -487.898 where: short stacking energy: -232.793 Base-Backbone interact. energy: 1.215 local terms energy: -329.944905 where: bonds (distance) C4'-P energy: -86.926 bonds (distance) P-C4' energy: -81.973 flat angles C4'-P-C4' energy: -87.886 flat angles P-C4'-P energy: -48.224 tors. eta vs tors. theta energy: -24.935 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: 145 Temperature: 1.300000 Total energy: -605.597110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.597110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.597110 (E_RNA) where: Base-Base interactions energy: -271.538 where: short stacking energy: -181.157 Base-Backbone interact. energy: 0.111 local terms energy: -334.170397 where: bonds (distance) C4'-P energy: -93.050 bonds (distance) P-C4' energy: -93.772 flat angles C4'-P-C4' energy: -87.172 flat angles P-C4'-P energy: -47.320 tors. eta vs tors. theta energy: -12.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -564.048182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.048182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.048182 (E_RNA) where: Base-Base interactions energy: -268.848 where: short stacking energy: -153.843 Base-Backbone interact. energy: 0.275 local terms energy: -295.474710 where: bonds (distance) C4'-P energy: -101.360 bonds (distance) P-C4' energy: -90.585 flat angles C4'-P-C4' energy: -64.797 flat angles P-C4'-P energy: -40.351 tors. eta vs tors. theta energy: 1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1759.504879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.504879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.504879 (E_RNA) where: Base-Base interactions energy: -1183.579 where: short stacking energy: -556.420 Base-Backbone interact. energy: -0.531 local terms energy: -575.395124 where: bonds (distance) C4'-P energy: -97.083 bonds (distance) P-C4' energy: -117.001 flat angles C4'-P-C4' energy: -105.636 flat angles P-C4'-P energy: -87.281 tors. eta vs tors. theta energy: -168.394 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: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1625.854368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.854368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.854368 (E_RNA) where: Base-Base interactions energy: -1075.286 where: short stacking energy: -469.797 Base-Backbone interact. energy: -2.993 local terms energy: -547.575792 where: bonds (distance) C4'-P energy: -111.775 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -114.066 flat angles P-C4'-P energy: -77.936 tors. eta vs tors. theta energy: -138.817 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: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1479.005496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.005496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.005496 (E_RNA) where: Base-Base interactions energy: -943.720 where: short stacking energy: -445.557 Base-Backbone interact. energy: -2.094 local terms energy: -533.191237 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -114.597 flat angles C4'-P-C4' energy: -109.412 flat angles P-C4'-P energy: -76.990 tors. eta vs tors. theta energy: -118.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1435.623953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.623953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.623953 (E_RNA) where: Base-Base interactions energy: -963.082 where: short stacking energy: -423.739 Base-Backbone interact. energy: 9.721 local terms energy: -482.262855 where: bonds (distance) C4'-P energy: -101.778 bonds (distance) P-C4' energy: -101.394 flat angles C4'-P-C4' energy: -107.317 flat angles P-C4'-P energy: -64.827 tors. eta vs tors. theta energy: -106.947 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: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1230.622774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.622774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.622774 (E_RNA) where: Base-Base interactions energy: -768.180 where: short stacking energy: -367.705 Base-Backbone interact. energy: -1.565 local terms energy: -460.877889 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -86.565 flat angles C4'-P-C4' energy: -122.821 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: -87.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1166.288421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.288421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.288421 (E_RNA) where: Base-Base interactions energy: -764.569 where: short stacking energy: -331.941 Base-Backbone interact. energy: -0.257 local terms energy: -401.462464 where: bonds (distance) C4'-P energy: -88.230 bonds (distance) P-C4' energy: -81.856 flat angles C4'-P-C4' energy: -102.787 flat angles P-C4'-P energy: -67.475 tors. eta vs tors. theta energy: -61.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -964.187230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.187230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.187230 (E_RNA) where: Base-Base interactions energy: -602.951 where: short stacking energy: -311.945 Base-Backbone interact. energy: -3.315 local terms energy: -357.921318 where: bonds (distance) C4'-P energy: -72.984 bonds (distance) P-C4' energy: -102.688 flat angles C4'-P-C4' energy: -85.010 flat angles P-C4'-P energy: -54.193 tors. eta vs tors. theta energy: -43.046 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: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -810.825679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.825679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.825679 (E_RNA) where: Base-Base interactions energy: -467.246 where: short stacking energy: -229.048 Base-Backbone interact. energy: -0.574 local terms energy: -343.005272 where: bonds (distance) C4'-P energy: -86.178 bonds (distance) P-C4' energy: -95.193 flat angles C4'-P-C4' energy: -83.391 flat angles P-C4'-P energy: -47.972 tors. eta vs tors. theta energy: -30.272 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -619.570977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.570977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.570977 (E_RNA) where: Base-Base interactions energy: -285.203 where: short stacking energy: -168.947 Base-Backbone interact. energy: -0.960 local terms energy: -333.408170 where: bonds (distance) C4'-P energy: -77.148 bonds (distance) P-C4' energy: -102.458 flat angles C4'-P-C4' energy: -91.569 flat angles P-C4'-P energy: -56.011 tors. eta vs tors. theta energy: -6.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -579.613863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.613863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.613863 (E_RNA) where: Base-Base interactions energy: -264.125 where: short stacking energy: -151.366 Base-Backbone interact. energy: -1.068 local terms energy: -314.421078 where: bonds (distance) C4'-P energy: -92.926 bonds (distance) P-C4' energy: -106.663 flat angles C4'-P-C4' energy: -66.464 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: 5.756 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: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1804.713281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.713281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.713281 (E_RNA) where: Base-Base interactions energy: -1202.037 where: short stacking energy: -562.198 Base-Backbone interact. energy: 0.144 local terms energy: -602.820070 where: bonds (distance) C4'-P energy: -111.983 bonds (distance) P-C4' energy: -107.785 flat angles C4'-P-C4' energy: -125.167 flat angles P-C4'-P energy: -82.358 tors. eta vs tors. theta energy: -175.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1625.218338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.218338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.218338 (E_RNA) where: Base-Base interactions energy: -1087.926 where: short stacking energy: -472.394 Base-Backbone interact. energy: -5.540 local terms energy: -531.752165 where: bonds (distance) C4'-P energy: -110.754 bonds (distance) P-C4' energy: -95.183 flat angles C4'-P-C4' energy: -120.686 flat angles P-C4'-P energy: -73.927 tors. eta vs tors. theta energy: -131.202 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: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1501.695130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.695130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.695130 (E_RNA) where: Base-Base interactions energy: -1001.794 where: short stacking energy: -481.471 Base-Backbone interact. energy: -0.880 local terms energy: -499.021415 where: bonds (distance) C4'-P energy: -93.995 bonds (distance) P-C4' energy: -97.460 flat angles C4'-P-C4' energy: -109.697 flat angles P-C4'-P energy: -71.429 tors. eta vs tors. theta energy: -126.440 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: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1467.511204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.511204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.511204 (E_RNA) where: Base-Base interactions energy: -980.592 where: short stacking energy: -430.358 Base-Backbone interact. energy: 0.793 local terms energy: -487.711992 where: bonds (distance) C4'-P energy: -93.909 bonds (distance) P-C4' energy: -101.712 flat angles C4'-P-C4' energy: -116.008 flat angles P-C4'-P energy: -66.323 tors. eta vs tors. theta energy: -109.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1289.858069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.858069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.858069 (E_RNA) where: Base-Base interactions energy: -806.952 where: short stacking energy: -393.297 Base-Backbone interact. energy: 7.100 local terms energy: -490.005710 where: bonds (distance) C4'-P energy: -104.622 bonds (distance) P-C4' energy: -97.131 flat angles C4'-P-C4' energy: -110.092 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: -97.258 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: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1137.359708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.359708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.359708 (E_RNA) where: Base-Base interactions energy: -710.663 where: short stacking energy: -338.144 Base-Backbone interact. energy: 1.983 local terms energy: -428.679857 where: bonds (distance) C4'-P energy: -84.598 bonds (distance) P-C4' energy: -91.541 flat angles C4'-P-C4' energy: -106.482 flat angles P-C4'-P energy: -72.435 tors. eta vs tors. theta energy: -73.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -900.424893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.424893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.424893 (E_RNA) where: Base-Base interactions energy: -506.935 where: short stacking energy: -266.265 Base-Backbone interact. energy: 5.990 local terms energy: -399.479329 where: bonds (distance) C4'-P energy: -85.589 bonds (distance) P-C4' energy: -107.457 flat angles C4'-P-C4' energy: -99.678 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -52.223 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: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -787.491954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.491954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.491954 (E_RNA) where: Base-Base interactions energy: -425.025 where: short stacking energy: -221.905 Base-Backbone interact. energy: -4.192 local terms energy: -358.275103 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -117.391 flat angles C4'-P-C4' energy: -77.792 flat angles P-C4'-P energy: -42.488 tors. eta vs tors. theta energy: -28.449 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: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -621.265434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.265434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.265434 (E_RNA) where: Base-Base interactions energy: -284.128 where: short stacking energy: -178.002 Base-Backbone interact. energy: 1.154 local terms energy: -338.291784 where: bonds (distance) C4'-P energy: -104.929 bonds (distance) P-C4' energy: -87.417 flat angles C4'-P-C4' energy: -95.694 flat angles P-C4'-P energy: -51.644 tors. eta vs tors. theta energy: 1.391 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: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -559.627891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.627891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.627891 (E_RNA) where: Base-Base interactions energy: -282.289 where: short stacking energy: -171.999 Base-Backbone interact. energy: 0.943 local terms energy: -278.281823 where: bonds (distance) C4'-P energy: -83.627 bonds (distance) P-C4' energy: -88.432 flat angles C4'-P-C4' energy: -86.346 flat angles P-C4'-P energy: -24.444 tors. eta vs tors. theta energy: 4.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1756.011115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.011115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.011115 (E_RNA) where: Base-Base interactions energy: -1154.247 where: short stacking energy: -537.669 Base-Backbone interact. energy: -3.854 local terms energy: -597.910183 where: bonds (distance) C4'-P energy: -103.490 bonds (distance) P-C4' energy: -110.503 flat angles C4'-P-C4' energy: -127.927 flat angles P-C4'-P energy: -88.391 tors. eta vs tors. theta energy: -167.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1648.585975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.585975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.585975 (E_RNA) where: Base-Base interactions energy: -1090.270 where: short stacking energy: -489.137 Base-Backbone interact. energy: 0.955 local terms energy: -559.270343 where: bonds (distance) C4'-P energy: -99.350 bonds (distance) P-C4' energy: -117.238 flat angles C4'-P-C4' energy: -123.677 flat angles P-C4'-P energy: -76.782 tors. eta vs tors. theta energy: -142.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1502.683137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.683137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.683137 (E_RNA) where: Base-Base interactions energy: -969.655 where: short stacking energy: -457.776 Base-Backbone interact. energy: -0.512 local terms energy: -532.516801 where: bonds (distance) C4'-P energy: -118.559 bonds (distance) P-C4' energy: -108.414 flat angles C4'-P-C4' energy: -107.284 flat angles P-C4'-P energy: -78.198 tors. eta vs tors. theta energy: -120.062 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: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1457.687352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.687352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.687352 (E_RNA) where: Base-Base interactions energy: -960.269 where: short stacking energy: -458.030 Base-Backbone interact. energy: -2.272 local terms energy: -495.146815 where: bonds (distance) C4'-P energy: -83.206 bonds (distance) P-C4' energy: -99.432 flat angles C4'-P-C4' energy: -104.406 flat angles P-C4'-P energy: -73.357 tors. eta vs tors. theta energy: -134.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1292.899064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.899064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.899064 (E_RNA) where: Base-Base interactions energy: -831.916 where: short stacking energy: -396.725 Base-Backbone interact. energy: -0.305 local terms energy: -460.678167 where: bonds (distance) C4'-P energy: -98.667 bonds (distance) P-C4' energy: -92.068 flat angles C4'-P-C4' energy: -95.928 flat angles P-C4'-P energy: -70.028 tors. eta vs tors. theta energy: -103.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1143.531917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.531917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.531917 (E_RNA) where: Base-Base interactions energy: -709.463 where: short stacking energy: -334.795 Base-Backbone interact. energy: -1.080 local terms energy: -432.988669 where: bonds (distance) C4'-P energy: -97.417 bonds (distance) P-C4' energy: -99.522 flat angles C4'-P-C4' energy: -100.593 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: -72.462 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: 148 Temperature: 1.200000 Total energy: -921.327719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.327719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.327719 (E_RNA) where: Base-Base interactions energy: -537.069 where: short stacking energy: -269.317 Base-Backbone interact. energy: -2.241 local terms energy: -382.017269 where: bonds (distance) C4'-P energy: -88.662 bonds (distance) P-C4' energy: -97.095 flat angles C4'-P-C4' energy: -86.841 flat angles P-C4'-P energy: -70.150 tors. eta vs tors. theta energy: -39.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -767.770741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.770741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.770741 (E_RNA) where: Base-Base interactions energy: -429.005 where: short stacking energy: -231.041 Base-Backbone interact. energy: -0.596 local terms energy: -338.169938 where: bonds (distance) C4'-P energy: -96.245 bonds (distance) P-C4' energy: -88.856 flat angles C4'-P-C4' energy: -82.477 flat angles P-C4'-P energy: -55.910 tors. eta vs tors. theta energy: -14.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -640.772966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.772966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.772966 (E_RNA) where: Base-Base interactions energy: -306.982 where: short stacking energy: -196.447 Base-Backbone interact. energy: 2.259 local terms energy: -336.049501 where: bonds (distance) C4'-P energy: -93.863 bonds (distance) P-C4' energy: -75.219 flat angles C4'-P-C4' energy: -87.768 flat angles P-C4'-P energy: -63.061 tors. eta vs tors. theta energy: -16.139 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: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -597.571293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.571293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.571293 (E_RNA) where: Base-Base interactions energy: -283.576 where: short stacking energy: -184.494 Base-Backbone interact. energy: 2.140 local terms energy: -316.135358 where: bonds (distance) C4'-P energy: -85.322 bonds (distance) P-C4' energy: -91.854 flat angles C4'-P-C4' energy: -94.752 flat angles P-C4'-P energy: -44.612 tors. eta vs tors. theta energy: 0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1760.178363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.178363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.178363 (E_RNA) where: Base-Base interactions energy: -1178.865 where: short stacking energy: -530.645 Base-Backbone interact. energy: -3.843 local terms energy: -577.470300 where: bonds (distance) C4'-P energy: -110.284 bonds (distance) P-C4' energy: -96.896 flat angles C4'-P-C4' energy: -129.517 flat angles P-C4'-P energy: -85.602 tors. eta vs tors. theta energy: -155.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1629.336844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.336844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.336844 (E_RNA) where: Base-Base interactions energy: -1091.113 where: short stacking energy: -491.081 Base-Backbone interact. energy: -0.044 local terms energy: -538.180535 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -97.495 flat angles C4'-P-C4' energy: -118.541 flat angles P-C4'-P energy: -79.393 tors. eta vs tors. theta energy: -131.423 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: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1451.284196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.284196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.284196 (E_RNA) where: Base-Base interactions energy: -954.809 where: short stacking energy: -421.031 Base-Backbone interact. energy: 1.951 local terms energy: -498.425909 where: bonds (distance) C4'-P energy: -110.384 bonds (distance) P-C4' energy: -111.521 flat angles C4'-P-C4' energy: -99.423 flat angles P-C4'-P energy: -76.115 tors. eta vs tors. theta energy: -100.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1442.088081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.088081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.088081 (E_RNA) where: Base-Base interactions energy: -939.479 where: short stacking energy: -421.093 Base-Backbone interact. energy: -2.692 local terms energy: -499.917247 where: bonds (distance) C4'-P energy: -98.051 bonds (distance) P-C4' energy: -104.124 flat angles C4'-P-C4' energy: -116.556 flat angles P-C4'-P energy: -64.728 tors. eta vs tors. theta energy: -116.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1258.865461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.865461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.865461 (E_RNA) where: Base-Base interactions energy: -796.752 where: short stacking energy: -358.649 Base-Backbone interact. energy: 4.513 local terms energy: -466.627334 where: bonds (distance) C4'-P energy: -95.833 bonds (distance) P-C4' energy: -110.928 flat angles C4'-P-C4' energy: -99.194 flat angles P-C4'-P energy: -77.206 tors. eta vs tors. theta energy: -83.466 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: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1215.881654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.881654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.881654 (E_RNA) where: Base-Base interactions energy: -770.357 where: short stacking energy: -334.054 Base-Backbone interact. energy: -3.155 local terms energy: -442.369457 where: bonds (distance) C4'-P energy: -109.363 bonds (distance) P-C4' energy: -95.203 flat angles C4'-P-C4' energy: -98.654 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: -66.088 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: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -944.429112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.429112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.429112 (E_RNA) where: Base-Base interactions energy: -551.583 where: short stacking energy: -277.838 Base-Backbone interact. energy: 2.208 local terms energy: -395.054468 where: bonds (distance) C4'-P energy: -98.728 bonds (distance) P-C4' energy: -96.775 flat angles C4'-P-C4' energy: -92.354 flat angles P-C4'-P energy: -57.743 tors. eta vs tors. theta energy: -49.455 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: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -838.781165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.781165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.781165 (E_RNA) where: Base-Base interactions energy: -468.223 where: short stacking energy: -211.474 Base-Backbone interact. energy: -1.329 local terms energy: -369.228770 where: bonds (distance) C4'-P energy: -88.497 bonds (distance) P-C4' energy: -110.565 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -59.675 tors. eta vs tors. theta energy: -24.185 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: 149 Temperature: 1.300000 Total energy: -610.351377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.351377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.351377 (E_RNA) where: Base-Base interactions energy: -283.077 where: short stacking energy: -185.650 Base-Backbone interact. energy: -1.757 local terms energy: -325.516901 where: bonds (distance) C4'-P energy: -98.192 bonds (distance) P-C4' energy: -109.046 flat angles C4'-P-C4' energy: -80.086 flat angles P-C4'-P energy: -36.670 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -595.553446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.553446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.553446 (E_RNA) where: Base-Base interactions energy: -272.503 where: short stacking energy: -144.840 Base-Backbone interact. energy: 0.687 local terms energy: -323.737470 where: bonds (distance) C4'-P energy: -95.097 bonds (distance) P-C4' energy: -87.379 flat angles C4'-P-C4' energy: -96.504 flat angles P-C4'-P energy: -50.788 tors. eta vs tors. theta energy: 6.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1749.387314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.387314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.387314 (E_RNA) where: Base-Base interactions energy: -1155.121 where: short stacking energy: -517.476 Base-Backbone interact. energy: -5.263 local terms energy: -589.003644 where: bonds (distance) C4'-P energy: -114.699 bonds (distance) P-C4' energy: -116.068 flat angles C4'-P-C4' energy: -124.864 flat angles P-C4'-P energy: -78.247 tors. eta vs tors. theta energy: -155.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1635.152359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.152359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.152359 (E_RNA) where: Base-Base interactions energy: -1076.921 where: short stacking energy: -514.602 Base-Backbone interact. energy: -0.120 local terms energy: -558.111621 where: bonds (distance) C4'-P energy: -111.300 bonds (distance) P-C4' energy: -112.258 flat angles C4'-P-C4' energy: -127.442 flat angles P-C4'-P energy: -67.536 tors. eta vs tors. theta energy: -139.576 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: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1523.718827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.718827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.718827 (E_RNA) where: Base-Base interactions energy: -995.620 where: short stacking energy: -479.318 Base-Backbone interact. energy: -4.991 local terms energy: -523.107863 where: bonds (distance) C4'-P energy: -113.441 bonds (distance) P-C4' energy: -98.991 flat angles C4'-P-C4' energy: -98.159 flat angles P-C4'-P energy: -70.587 tors. eta vs tors. theta energy: -141.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1423.726050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.726050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.726050 (E_RNA) where: Base-Base interactions energy: -942.727 where: short stacking energy: -416.074 Base-Backbone interact. energy: -1.193 local terms energy: -479.806048 where: bonds (distance) C4'-P energy: -96.823 bonds (distance) P-C4' energy: -103.611 flat angles C4'-P-C4' energy: -105.448 flat angles P-C4'-P energy: -74.610 tors. eta vs tors. theta energy: -99.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1246.582631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.582631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.582631 (E_RNA) where: Base-Base interactions energy: -774.431 where: short stacking energy: -390.803 Base-Backbone interact. energy: -2.441 local terms energy: -469.711476 where: bonds (distance) C4'-P energy: -83.686 bonds (distance) P-C4' energy: -105.357 flat angles C4'-P-C4' energy: -105.840 flat angles P-C4'-P energy: -75.068 tors. eta vs tors. theta energy: -99.760 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: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1144.267253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.267253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.267253 (E_RNA) where: Base-Base interactions energy: -739.832 where: short stacking energy: -325.324 Base-Backbone interact. energy: -2.592 local terms energy: -401.843713 where: bonds (distance) C4'-P energy: -91.051 bonds (distance) P-C4' energy: -84.981 flat angles C4'-P-C4' energy: -93.467 flat angles P-C4'-P energy: -72.050 tors. eta vs tors. theta energy: -60.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -953.338598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.338598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.338598 (E_RNA) where: Base-Base interactions energy: -557.561 where: short stacking energy: -303.451 Base-Backbone interact. energy: 4.751 local terms energy: -400.528619 where: bonds (distance) C4'-P energy: -90.572 bonds (distance) P-C4' energy: -92.682 flat angles C4'-P-C4' energy: -99.646 flat angles P-C4'-P energy: -64.499 tors. eta vs tors. theta energy: -53.129 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: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -797.205193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.205193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.205193 (E_RNA) where: Base-Base interactions energy: -436.789 where: short stacking energy: -209.976 Base-Backbone interact. energy: -2.785 local terms energy: -357.631205 where: bonds (distance) C4'-P energy: -74.976 bonds (distance) P-C4' energy: -107.682 flat angles C4'-P-C4' energy: -89.010 flat angles P-C4'-P energy: -58.318 tors. eta vs tors. theta energy: -27.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -623.637664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.637664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.637664 (E_RNA) where: Base-Base interactions energy: -294.345 where: short stacking energy: -183.445 Base-Backbone interact. energy: 0.160 local terms energy: -329.452198 where: bonds (distance) C4'-P energy: -99.403 bonds (distance) P-C4' energy: -78.399 flat angles C4'-P-C4' energy: -95.618 flat angles P-C4'-P energy: -46.915 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -626.025655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.025655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.025655 (E_RNA) where: Base-Base interactions energy: -298.241 where: short stacking energy: -167.514 Base-Backbone interact. energy: 1.249 local terms energy: -329.033442 where: bonds (distance) C4'-P energy: -96.515 bonds (distance) P-C4' energy: -103.158 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: 4.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1761.362802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.362802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.362802 (E_RNA) where: Base-Base interactions energy: -1156.511 where: short stacking energy: -540.525 Base-Backbone interact. energy: -2.882 local terms energy: -601.969539 where: bonds (distance) C4'-P energy: -110.637 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -124.725 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -160.854 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: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1599.792225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.792225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.792225 (E_RNA) where: Base-Base interactions energy: -1058.654 where: short stacking energy: -455.423 Base-Backbone interact. energy: -3.274 local terms energy: -537.863505 where: bonds (distance) C4'-P energy: -99.704 bonds (distance) P-C4' energy: -115.912 flat angles C4'-P-C4' energy: -116.403 flat angles P-C4'-P energy: -82.986 tors. eta vs tors. theta energy: -122.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1517.426034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.426034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.426034 (E_RNA) where: Base-Base interactions energy: -1001.020 where: short stacking energy: -462.159 Base-Backbone interact. energy: 0.187 local terms energy: -516.593231 where: bonds (distance) C4'-P energy: -94.161 bonds (distance) P-C4' energy: -102.925 flat angles C4'-P-C4' energy: -122.983 flat angles P-C4'-P energy: -73.092 tors. eta vs tors. theta energy: -123.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1440.463081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.463081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.463081 (E_RNA) where: Base-Base interactions energy: -951.778 where: short stacking energy: -393.465 Base-Backbone interact. energy: -2.087 local terms energy: -486.598809 where: bonds (distance) C4'-P energy: -112.216 bonds (distance) P-C4' energy: -102.055 flat angles C4'-P-C4' energy: -100.410 flat angles P-C4'-P energy: -69.448 tors. eta vs tors. theta energy: -102.471 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: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1260.302093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.302093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.302093 (E_RNA) where: Base-Base interactions energy: -775.741 where: short stacking energy: -344.880 Base-Backbone interact. energy: -1.545 local terms energy: -483.016059 where: bonds (distance) C4'-P energy: -106.510 bonds (distance) P-C4' energy: -104.860 flat angles C4'-P-C4' energy: -113.767 flat angles P-C4'-P energy: -75.556 tors. eta vs tors. theta energy: -82.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1157.988563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.988563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.988563 (E_RNA) where: Base-Base interactions energy: -721.857 where: short stacking energy: -334.205 Base-Backbone interact. energy: -0.362 local terms energy: -435.769303 where: bonds (distance) C4'-P energy: -86.089 bonds (distance) P-C4' energy: -100.098 flat angles C4'-P-C4' energy: -103.653 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: -67.692 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: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -938.328733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.328733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.328733 (E_RNA) where: Base-Base interactions energy: -547.129 where: short stacking energy: -261.184 Base-Backbone interact. energy: -2.709 local terms energy: -388.490620 where: bonds (distance) C4'-P energy: -90.709 bonds (distance) P-C4' energy: -100.345 flat angles C4'-P-C4' energy: -98.352 flat angles P-C4'-P energy: -62.343 tors. eta vs tors. theta energy: -36.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -786.633158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.633158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.633158 (E_RNA) where: Base-Base interactions energy: -423.182 where: short stacking energy: -237.447 Base-Backbone interact. energy: 0.350 local terms energy: -363.800706 where: bonds (distance) C4'-P energy: -86.375 bonds (distance) P-C4' energy: -91.031 flat angles C4'-P-C4' energy: -86.333 flat angles P-C4'-P energy: -60.566 tors. eta vs tors. theta energy: -39.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -656.680235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.680235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.680235 (E_RNA) where: Base-Base interactions energy: -312.729 where: short stacking energy: -169.871 Base-Backbone interact. energy: -0.329 local terms energy: -343.622044 where: bonds (distance) C4'-P energy: -94.359 bonds (distance) P-C4' energy: -99.478 flat angles C4'-P-C4' energy: -91.208 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -7.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -655.102174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.102174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.102174 (E_RNA) where: Base-Base interactions energy: -366.397 where: short stacking energy: -177.772 Base-Backbone interact. energy: 2.654 local terms energy: -291.359706 where: bonds (distance) C4'-P energy: -83.369 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -76.852 flat angles P-C4'-P energy: -29.629 tors. eta vs tors. theta energy: -11.149 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: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1746.189042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.189042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.189042 (E_RNA) where: Base-Base interactions energy: -1170.365 where: short stacking energy: -520.440 Base-Backbone interact. energy: -2.740 local terms energy: -573.084319 where: bonds (distance) C4'-P energy: -103.975 bonds (distance) P-C4' energy: -114.513 flat angles C4'-P-C4' energy: -120.537 flat angles P-C4'-P energy: -77.113 tors. eta vs tors. theta energy: -156.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1627.526390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.526390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.526390 (E_RNA) where: Base-Base interactions energy: -1088.796 where: short stacking energy: -518.113 Base-Backbone interact. energy: -4.413 local terms energy: -534.317638 where: bonds (distance) C4'-P energy: -94.417 bonds (distance) P-C4' energy: -105.797 flat angles C4'-P-C4' energy: -121.605 flat angles P-C4'-P energy: -70.526 tors. eta vs tors. theta energy: -141.974 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: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1528.175237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.175237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.175237 (E_RNA) where: Base-Base interactions energy: -1020.412 where: short stacking energy: -449.204 Base-Backbone interact. energy: -1.968 local terms energy: -505.796043 where: bonds (distance) C4'-P energy: -89.383 bonds (distance) P-C4' energy: -95.133 flat angles C4'-P-C4' energy: -119.294 flat angles P-C4'-P energy: -80.312 tors. eta vs tors. theta energy: -121.673 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: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1473.879697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.879697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.879697 (E_RNA) where: Base-Base interactions energy: -983.854 where: short stacking energy: -432.514 Base-Backbone interact. energy: -3.083 local terms energy: -486.942940 where: bonds (distance) C4'-P energy: -99.300 bonds (distance) P-C4' energy: -95.088 flat angles C4'-P-C4' energy: -104.961 flat angles P-C4'-P energy: -76.560 tors. eta vs tors. theta energy: -111.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1258.772672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.772672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.772672 (E_RNA) where: Base-Base interactions energy: -805.610 where: short stacking energy: -369.775 Base-Backbone interact. energy: -2.702 local terms energy: -450.459824 where: bonds (distance) C4'-P energy: -90.910 bonds (distance) P-C4' energy: -107.267 flat angles C4'-P-C4' energy: -99.624 flat angles P-C4'-P energy: -68.023 tors. eta vs tors. theta energy: -84.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1128.571263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.571263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.571263 (E_RNA) where: Base-Base interactions energy: -732.233 where: short stacking energy: -318.227 Base-Backbone interact. energy: -1.618 local terms energy: -394.720066 where: bonds (distance) C4'-P energy: -84.480 bonds (distance) P-C4' energy: -99.813 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -49.366 tors. eta vs tors. theta energy: -58.975 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: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -931.800873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.800873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.800873 (E_RNA) where: Base-Base interactions energy: -519.834 where: short stacking energy: -272.196 Base-Backbone interact. energy: -0.772 local terms energy: -411.194895 where: bonds (distance) C4'-P energy: -101.191 bonds (distance) P-C4' energy: -97.089 flat angles C4'-P-C4' energy: -95.058 flat angles P-C4'-P energy: -66.214 tors. eta vs tors. theta energy: -51.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -849.469775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.469775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.469775 (E_RNA) where: Base-Base interactions energy: -494.370 where: short stacking energy: -242.432 Base-Backbone interact. energy: 1.488 local terms energy: -356.587318 where: bonds (distance) C4'-P energy: -88.487 bonds (distance) P-C4' energy: -96.672 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -29.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -664.049851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.049851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.049851 (E_RNA) where: Base-Base interactions energy: -336.952 where: short stacking energy: -176.673 Base-Backbone interact. energy: -1.342 local terms energy: -325.756199 where: bonds (distance) C4'-P energy: -86.715 bonds (distance) P-C4' energy: -90.903 flat angles C4'-P-C4' energy: -77.119 flat angles P-C4'-P energy: -63.573 tors. eta vs tors. theta energy: -7.445 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: 152 Temperature: 1.350000 Total energy: -558.708991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.708991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.708991 (E_RNA) where: Base-Base interactions energy: -232.159 where: short stacking energy: -137.064 Base-Backbone interact. energy: -0.867 local terms energy: -325.682565 where: bonds (distance) C4'-P energy: -92.641 bonds (distance) P-C4' energy: -94.044 flat angles C4'-P-C4' energy: -95.493 flat angles P-C4'-P energy: -54.242 tors. eta vs tors. theta energy: 10.738 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: 153 Temperature: 0.900000 Total energy: -1767.407266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.407266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.407266 (E_RNA) where: Base-Base interactions energy: -1193.494 where: short stacking energy: -542.403 Base-Backbone interact. energy: -1.720 local terms energy: -572.193787 where: bonds (distance) C4'-P energy: -102.671 bonds (distance) P-C4' energy: -107.173 flat angles C4'-P-C4' energy: -111.194 flat angles P-C4'-P energy: -89.728 tors. eta vs tors. theta energy: -161.428 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: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1582.192082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.192082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.192082 (E_RNA) where: Base-Base interactions energy: -1050.981 where: short stacking energy: -461.348 Base-Backbone interact. energy: -1.958 local terms energy: -529.253443 where: bonds (distance) C4'-P energy: -116.406 bonds (distance) P-C4' energy: -109.297 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: -119.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1497.357376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.357376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.357376 (E_RNA) where: Base-Base interactions energy: -971.939 where: short stacking energy: -422.424 Base-Backbone interact. energy: -3.397 local terms energy: -522.021255 where: bonds (distance) C4'-P energy: -94.654 bonds (distance) P-C4' energy: -110.779 flat angles C4'-P-C4' energy: -112.955 flat angles P-C4'-P energy: -84.519 tors. eta vs tors. theta energy: -119.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1446.514413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.514413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.514413 (E_RNA) where: Base-Base interactions energy: -955.448 where: short stacking energy: -435.348 Base-Backbone interact. energy: -2.087 local terms energy: -488.979660 where: bonds (distance) C4'-P energy: -86.442 bonds (distance) P-C4' energy: -107.027 flat angles C4'-P-C4' energy: -108.818 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -116.904 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: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1265.900147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.900147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.900147 (E_RNA) where: Base-Base interactions energy: -832.111 where: short stacking energy: -397.327 Base-Backbone interact. energy: -1.490 local terms energy: -432.298959 where: bonds (distance) C4'-P energy: -83.698 bonds (distance) P-C4' energy: -89.087 flat angles C4'-P-C4' energy: -107.473 flat angles P-C4'-P energy: -58.344 tors. eta vs tors. theta energy: -93.696 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: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1132.545801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.545801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.545801 (E_RNA) where: Base-Base interactions energy: -701.022 where: short stacking energy: -329.692 Base-Backbone interact. energy: -1.079 local terms energy: -430.444364 where: bonds (distance) C4'-P energy: -94.476 bonds (distance) P-C4' energy: -100.209 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -64.253 tors. eta vs tors. theta energy: -75.192 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: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1005.102176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.102176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.102176 (E_RNA) where: Base-Base interactions energy: -574.350 where: short stacking energy: -293.946 Base-Backbone interact. energy: 1.442 local terms energy: -432.193897 where: bonds (distance) C4'-P energy: -97.435 bonds (distance) P-C4' energy: -109.102 flat angles C4'-P-C4' energy: -102.143 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -46.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -881.355877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.355877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.355877 (E_RNA) where: Base-Base interactions energy: -512.740 where: short stacking energy: -241.535 Base-Backbone interact. energy: -1.220 local terms energy: -367.395815 where: bonds (distance) C4'-P energy: -86.625 bonds (distance) P-C4' energy: -85.339 flat angles C4'-P-C4' energy: -96.812 flat angles P-C4'-P energy: -56.104 tors. eta vs tors. theta energy: -42.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -657.991527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.991527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.991527 (E_RNA) where: Base-Base interactions energy: -326.218 where: short stacking energy: -187.223 Base-Backbone interact. energy: -1.797 local terms energy: -329.976539 where: bonds (distance) C4'-P energy: -102.339 bonds (distance) P-C4' energy: -86.418 flat angles C4'-P-C4' energy: -82.848 flat angles P-C4'-P energy: -39.127 tors. eta vs tors. theta energy: -19.244 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: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -506.670477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.670477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.670477 (E_RNA) where: Base-Base interactions energy: -239.002 where: short stacking energy: -139.078 Base-Backbone interact. energy: -0.920 local terms energy: -266.748694 where: bonds (distance) C4'-P energy: -81.308 bonds (distance) P-C4' energy: -91.165 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -55.821 tors. eta vs tors. theta energy: 26.120 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: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1744.100457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.100457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.100457 (E_RNA) where: Base-Base interactions energy: -1144.927 where: short stacking energy: -544.309 Base-Backbone interact. energy: -3.570 local terms energy: -595.603777 where: bonds (distance) C4'-P energy: -111.108 bonds (distance) P-C4' energy: -113.617 flat angles C4'-P-C4' energy: -113.025 flat angles P-C4'-P energy: -89.168 tors. eta vs tors. theta energy: -168.685 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: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1591.956717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.956717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.956717 (E_RNA) where: Base-Base interactions energy: -1055.174 where: short stacking energy: -468.758 Base-Backbone interact. energy: -3.685 local terms energy: -533.098246 where: bonds (distance) C4'-P energy: -103.425 bonds (distance) P-C4' energy: -107.106 flat angles C4'-P-C4' energy: -105.944 flat angles P-C4'-P energy: -86.423 tors. eta vs tors. theta energy: -130.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1442.758837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.758837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.758837 (E_RNA) where: Base-Base interactions energy: -945.227 where: short stacking energy: -417.029 Base-Backbone interact. energy: -0.568 local terms energy: -496.964369 where: bonds (distance) C4'-P energy: -94.985 bonds (distance) P-C4' energy: -98.574 flat angles C4'-P-C4' energy: -108.675 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: -113.848 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: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1487.161639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.161639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.161639 (E_RNA) where: Base-Base interactions energy: -999.961 where: short stacking energy: -448.219 Base-Backbone interact. energy: -1.489 local terms energy: -485.711420 where: bonds (distance) C4'-P energy: -88.031 bonds (distance) P-C4' energy: -103.403 flat angles C4'-P-C4' energy: -110.310 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: -116.877 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: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1259.879090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.879090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.879090 (E_RNA) where: Base-Base interactions energy: -779.852 where: short stacking energy: -376.970 Base-Backbone interact. energy: 1.338 local terms energy: -481.365345 where: bonds (distance) C4'-P energy: -108.649 bonds (distance) P-C4' energy: -100.895 flat angles C4'-P-C4' energy: -106.572 flat angles P-C4'-P energy: -66.061 tors. eta vs tors. theta energy: -99.188 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: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1158.946138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.946138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.946138 (E_RNA) where: Base-Base interactions energy: -717.611 where: short stacking energy: -334.867 Base-Backbone interact. energy: 0.260 local terms energy: -441.595434 where: bonds (distance) C4'-P energy: -96.424 bonds (distance) P-C4' energy: -103.981 flat angles C4'-P-C4' energy: -101.372 flat angles P-C4'-P energy: -62.081 tors. eta vs tors. theta energy: -77.738 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: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -930.529108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.529108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.529108 (E_RNA) where: Base-Base interactions energy: -537.459 where: short stacking energy: -273.368 Base-Backbone interact. energy: -2.409 local terms energy: -390.660742 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -107.124 flat angles C4'-P-C4' energy: -84.947 flat angles P-C4'-P energy: -76.149 tors. eta vs tors. theta energy: -33.055 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: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -788.651677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.651677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.651677 (E_RNA) where: Base-Base interactions energy: -419.413 where: short stacking energy: -227.949 Base-Backbone interact. energy: -3.628 local terms energy: -365.610408 where: bonds (distance) C4'-P energy: -95.953 bonds (distance) P-C4' energy: -94.283 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -19.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -638.371265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.371265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.371265 (E_RNA) where: Base-Base interactions energy: -333.400 where: short stacking energy: -217.426 Base-Backbone interact. energy: 1.180 local terms energy: -306.151707 where: bonds (distance) C4'-P energy: -89.480 bonds (distance) P-C4' energy: -85.712 flat angles C4'-P-C4' energy: -55.712 flat angles P-C4'-P energy: -55.964 tors. eta vs tors. theta energy: -19.284 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: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -509.445016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.445016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.445016 (E_RNA) where: Base-Base interactions energy: -214.046 where: short stacking energy: -151.250 Base-Backbone interact. energy: -0.976 local terms energy: -294.423276 where: bonds (distance) C4'-P energy: -87.768 bonds (distance) P-C4' energy: -99.831 flat angles C4'-P-C4' energy: -79.762 flat angles P-C4'-P energy: -40.262 tors. eta vs tors. theta energy: 13.201 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: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1754.239804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.239804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.239804 (E_RNA) where: Base-Base interactions energy: -1155.706 where: short stacking energy: -520.352 Base-Backbone interact. energy: -2.455 local terms energy: -596.078647 where: bonds (distance) C4'-P energy: -116.062 bonds (distance) P-C4' energy: -117.952 flat angles C4'-P-C4' energy: -128.398 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -160.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1598.602087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.602087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.602087 (E_RNA) where: Base-Base interactions energy: -1066.243 where: short stacking energy: -456.185 Base-Backbone interact. energy: -2.299 local terms energy: -530.060033 where: bonds (distance) C4'-P energy: -105.392 bonds (distance) P-C4' energy: -108.792 flat angles C4'-P-C4' energy: -115.557 flat angles P-C4'-P energy: -72.305 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: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1504.645291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.645291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.645291 (E_RNA) where: Base-Base interactions energy: -984.240 where: short stacking energy: -445.846 Base-Backbone interact. energy: 0.437 local terms energy: -520.842753 where: bonds (distance) C4'-P energy: -103.099 bonds (distance) P-C4' energy: -97.304 flat angles C4'-P-C4' energy: -126.389 flat angles P-C4'-P energy: -69.513 tors. eta vs tors. theta energy: -124.538 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: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1441.374476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.374476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.374476 (E_RNA) where: Base-Base interactions energy: -951.228 where: short stacking energy: -426.444 Base-Backbone interact. energy: -4.042 local terms energy: -486.104343 where: bonds (distance) C4'-P energy: -107.586 bonds (distance) P-C4' energy: -107.527 flat angles C4'-P-C4' energy: -92.690 flat angles P-C4'-P energy: -73.322 tors. eta vs tors. theta energy: -104.979 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: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1236.160119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.160119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.160119 (E_RNA) where: Base-Base interactions energy: -805.084 where: short stacking energy: -415.924 Base-Backbone interact. energy: 0.615 local terms energy: -431.691189 where: bonds (distance) C4'-P energy: -97.693 bonds (distance) P-C4' energy: -93.798 flat angles C4'-P-C4' energy: -104.705 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -94.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1160.131678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.131678 (E_RNA) where: Base-Base interactions energy: -730.483 where: short stacking energy: -331.024 Base-Backbone interact. energy: 0.699 local terms energy: -430.348205 where: bonds (distance) C4'-P energy: -83.658 bonds (distance) P-C4' energy: -102.626 flat angles C4'-P-C4' energy: -101.819 flat angles P-C4'-P energy: -63.113 tors. eta vs tors. theta energy: -79.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -933.351505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.351505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.351505 (E_RNA) where: Base-Base interactions energy: -549.323 where: short stacking energy: -287.200 Base-Backbone interact. energy: 1.711 local terms energy: -385.739404 where: bonds (distance) C4'-P energy: -100.326 bonds (distance) P-C4' energy: -92.696 flat angles C4'-P-C4' energy: -88.180 flat angles P-C4'-P energy: -63.325 tors. eta vs tors. theta energy: -41.213 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: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -706.255703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.255703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.255703 (E_RNA) where: Base-Base interactions energy: -350.996 where: short stacking energy: -194.569 Base-Backbone interact. energy: 2.775 local terms energy: -358.034754 where: bonds (distance) C4'-P energy: -103.909 bonds (distance) P-C4' energy: -91.860 flat angles C4'-P-C4' energy: -76.809 flat angles P-C4'-P energy: -60.042 tors. eta vs tors. theta energy: -25.414 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: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -767.508546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.508546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.508546 (E_RNA) where: Base-Base interactions energy: -430.551 where: short stacking energy: -218.763 Base-Backbone interact. energy: 0.148 local terms energy: -337.105325 where: bonds (distance) C4'-P energy: -97.167 bonds (distance) P-C4' energy: -85.535 flat angles C4'-P-C4' energy: -90.729 flat angles P-C4'-P energy: -51.126 tors. eta vs tors. theta energy: -12.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -491.904388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.904388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.904388 (E_RNA) where: Base-Base interactions energy: -227.152 where: short stacking energy: -152.660 Base-Backbone interact. energy: 2.373 local terms energy: -267.125702 where: bonds (distance) C4'-P energy: -77.914 bonds (distance) P-C4' energy: -91.595 flat angles C4'-P-C4' energy: -73.744 flat angles P-C4'-P energy: -41.805 tors. eta vs tors. theta energy: 17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1789.200208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.200208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.200208 (E_RNA) where: Base-Base interactions energy: -1184.020 where: short stacking energy: -537.320 Base-Backbone interact. energy: -1.082 local terms energy: -604.098120 where: bonds (distance) C4'-P energy: -103.775 bonds (distance) P-C4' energy: -121.369 flat angles C4'-P-C4' energy: -128.941 flat angles P-C4'-P energy: -88.160 tors. eta vs tors. theta energy: -161.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1620.698536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.698536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.698536 (E_RNA) where: Base-Base interactions energy: -1100.792 where: short stacking energy: -474.708 Base-Backbone interact. energy: 1.718 local terms energy: -521.625294 where: bonds (distance) C4'-P energy: -108.927 bonds (distance) P-C4' energy: -99.796 flat angles C4'-P-C4' energy: -115.312 flat angles P-C4'-P energy: -73.728 tors. eta vs tors. theta energy: -123.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1490.983850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.983850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.983850 (E_RNA) where: Base-Base interactions energy: -980.880 where: short stacking energy: -463.401 Base-Backbone interact. energy: -1.074 local terms energy: -509.030155 where: bonds (distance) C4'-P energy: -103.861 bonds (distance) P-C4' energy: -93.909 flat angles C4'-P-C4' energy: -114.362 flat angles P-C4'-P energy: -69.080 tors. eta vs tors. theta energy: -127.818 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: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1481.918210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.918210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.918210 (E_RNA) where: Base-Base interactions energy: -977.995 where: short stacking energy: -433.809 Base-Backbone interact. energy: 2.478 local terms energy: -506.401431 where: bonds (distance) C4'-P energy: -103.100 bonds (distance) P-C4' energy: -96.457 flat angles C4'-P-C4' energy: -120.603 flat angles P-C4'-P energy: -77.811 tors. eta vs tors. theta energy: -108.431 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: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1236.518811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.518811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.518811 (E_RNA) where: Base-Base interactions energy: -774.044 where: short stacking energy: -379.276 Base-Backbone interact. energy: -1.414 local terms energy: -461.060775 where: bonds (distance) C4'-P energy: -91.630 bonds (distance) P-C4' energy: -91.187 flat angles C4'-P-C4' energy: -114.916 flat angles P-C4'-P energy: -69.367 tors. eta vs tors. theta energy: -93.961 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: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1157.956524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.956524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.956524 (E_RNA) where: Base-Base interactions energy: -742.940 where: short stacking energy: -335.087 Base-Backbone interact. energy: -2.375 local terms energy: -412.641564 where: bonds (distance) C4'-P energy: -96.221 bonds (distance) P-C4' energy: -94.757 flat angles C4'-P-C4' energy: -93.163 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -60.991 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: 156 Temperature: 1.200000 Total energy: -934.971557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.971557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.971557 (E_RNA) where: Base-Base interactions energy: -571.028 where: short stacking energy: -296.382 Base-Backbone interact. energy: -1.677 local terms energy: -362.267035 where: bonds (distance) C4'-P energy: -75.061 bonds (distance) P-C4' energy: -91.854 flat angles C4'-P-C4' energy: -97.658 flat angles P-C4'-P energy: -58.866 tors. eta vs tors. theta energy: -38.828 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: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -711.415260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.415260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.415260 (E_RNA) where: Base-Base interactions energy: -378.452 where: short stacking energy: -201.046 Base-Backbone interact. energy: 0.137 local terms energy: -333.100394 where: bonds (distance) C4'-P energy: -89.025 bonds (distance) P-C4' energy: -103.371 flat angles C4'-P-C4' energy: -88.409 flat angles P-C4'-P energy: -39.909 tors. eta vs tors. theta energy: -12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -767.252679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.252679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.252679 (E_RNA) where: Base-Base interactions energy: -434.090 where: short stacking energy: -207.131 Base-Backbone interact. energy: 0.010 local terms energy: -333.172726 where: bonds (distance) C4'-P energy: -92.417 bonds (distance) P-C4' energy: -96.665 flat angles C4'-P-C4' energy: -82.563 flat angles P-C4'-P energy: -46.061 tors. eta vs tors. theta energy: -15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -486.522610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.522610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.522610 (E_RNA) where: Base-Base interactions energy: -208.640 where: short stacking energy: -142.416 Base-Backbone interact. energy: -2.611 local terms energy: -275.271349 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -80.624 flat angles C4'-P-C4' energy: -81.994 flat angles P-C4'-P energy: -36.754 tors. eta vs tors. theta energy: 4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1777.522260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.522260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.522260 (E_RNA) where: Base-Base interactions energy: -1193.608 where: short stacking energy: -550.407 Base-Backbone interact. energy: -1.142 local terms energy: -582.771590 where: bonds (distance) C4'-P energy: -108.516 bonds (distance) P-C4' energy: -106.460 flat angles C4'-P-C4' energy: -126.034 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: -161.106 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: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1627.465450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.465450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.465450 (E_RNA) where: Base-Base interactions energy: -1083.864 where: short stacking energy: -493.776 Base-Backbone interact. energy: -3.291 local terms energy: -540.310854 where: bonds (distance) C4'-P energy: -98.436 bonds (distance) P-C4' energy: -123.747 flat angles C4'-P-C4' energy: -111.464 flat angles P-C4'-P energy: -79.550 tors. eta vs tors. theta energy: -127.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1530.138370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.138370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.138370 (E_RNA) where: Base-Base interactions energy: -984.813 where: short stacking energy: -484.503 Base-Backbone interact. energy: -0.586 local terms energy: -544.738707 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -96.751 flat angles C4'-P-C4' energy: -122.816 flat angles P-C4'-P energy: -85.051 tors. eta vs tors. theta energy: -144.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1511.355846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.355846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.355846 (E_RNA) where: Base-Base interactions energy: -1020.456 where: short stacking energy: -425.554 Base-Backbone interact. energy: 1.259 local terms energy: -492.159083 where: bonds (distance) C4'-P energy: -101.374 bonds (distance) P-C4' energy: -108.070 flat angles C4'-P-C4' energy: -115.394 flat angles P-C4'-P energy: -67.227 tors. eta vs tors. theta energy: -100.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1243.580422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.580422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.580422 (E_RNA) where: Base-Base interactions energy: -774.496 where: short stacking energy: -378.246 Base-Backbone interact. energy: 2.251 local terms energy: -471.335847 where: bonds (distance) C4'-P energy: -94.108 bonds (distance) P-C4' energy: -115.962 flat angles C4'-P-C4' energy: -103.280 flat angles P-C4'-P energy: -55.860 tors. eta vs tors. theta energy: -102.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1214.788490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.788490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.788490 (E_RNA) where: Base-Base interactions energy: -804.620 where: short stacking energy: -330.818 Base-Backbone interact. energy: 0.118 local terms energy: -410.285985 where: bonds (distance) C4'-P energy: -85.201 bonds (distance) P-C4' energy: -97.094 flat angles C4'-P-C4' energy: -95.169 flat angles P-C4'-P energy: -61.042 tors. eta vs tors. theta energy: -71.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -901.939892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.939892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.939892 (E_RNA) where: Base-Base interactions energy: -504.863 where: short stacking energy: -246.408 Base-Backbone interact. energy: 3.390 local terms energy: -400.466330 where: bonds (distance) C4'-P energy: -98.710 bonds (distance) P-C4' energy: -112.840 flat angles C4'-P-C4' energy: -88.024 flat angles P-C4'-P energy: -60.856 tors. eta vs tors. theta energy: -40.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -758.762113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.762113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.762113 (E_RNA) where: Base-Base interactions energy: -384.611 where: short stacking energy: -220.006 Base-Backbone interact. energy: -1.938 local terms energy: -372.212577 where: bonds (distance) C4'-P energy: -99.792 bonds (distance) P-C4' energy: -104.856 flat angles C4'-P-C4' energy: -93.928 flat angles P-C4'-P energy: -54.486 tors. eta vs tors. theta energy: -19.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -721.279459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.279459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.279459 (E_RNA) where: Base-Base interactions energy: -399.719 where: short stacking energy: -204.105 Base-Backbone interact. energy: -1.157 local terms energy: -320.404000 where: bonds (distance) C4'-P energy: -89.831 bonds (distance) P-C4' energy: -82.041 flat angles C4'-P-C4' energy: -86.960 flat angles P-C4'-P energy: -56.620 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: 157 Temperature: 1.350000 Total energy: -484.780856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.780856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.780856 (E_RNA) where: Base-Base interactions energy: -193.960 where: short stacking energy: -127.042 Base-Backbone interact. energy: 0.215 local terms energy: -291.036031 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -93.586 flat angles C4'-P-C4' energy: -77.833 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: 19.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1766.195911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.195911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.195911 (E_RNA) where: Base-Base interactions energy: -1161.868 where: short stacking energy: -521.476 Base-Backbone interact. energy: -4.335 local terms energy: -599.992911 where: bonds (distance) C4'-P energy: -113.232 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -128.255 flat angles P-C4'-P energy: -83.187 tors. eta vs tors. theta energy: -164.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1635.547100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.547100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.547100 (E_RNA) where: Base-Base interactions energy: -1079.770 where: short stacking energy: -470.980 Base-Backbone interact. energy: -4.352 local terms energy: -551.424357 where: bonds (distance) C4'-P energy: -109.463 bonds (distance) P-C4' energy: -117.309 flat angles C4'-P-C4' energy: -114.820 flat angles P-C4'-P energy: -72.469 tors. eta vs tors. theta energy: -137.363 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: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1509.470849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.470849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.470849 (E_RNA) where: Base-Base interactions energy: -967.982 where: short stacking energy: -456.451 Base-Backbone interact. energy: -2.379 local terms energy: -539.108969 where: bonds (distance) C4'-P energy: -101.080 bonds (distance) P-C4' energy: -110.409 flat angles C4'-P-C4' energy: -116.454 flat angles P-C4'-P energy: -84.754 tors. eta vs tors. theta energy: -126.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1513.178294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.178294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.178294 (E_RNA) where: Base-Base interactions energy: -1013.678 where: short stacking energy: -445.232 Base-Backbone interact. energy: 2.089 local terms energy: -501.589746 where: bonds (distance) C4'-P energy: -82.686 bonds (distance) P-C4' energy: -109.239 flat angles C4'-P-C4' energy: -116.399 flat angles P-C4'-P energy: -74.655 tors. eta vs tors. theta energy: -118.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1241.159672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.159672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.159672 (E_RNA) where: Base-Base interactions energy: -794.239 where: short stacking energy: -346.310 Base-Backbone interact. energy: -3.248 local terms energy: -443.672165 where: bonds (distance) C4'-P energy: -88.340 bonds (distance) P-C4' energy: -94.366 flat angles C4'-P-C4' energy: -106.869 flat angles P-C4'-P energy: -74.459 tors. eta vs tors. theta energy: -79.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1149.478336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.478336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.478336 (E_RNA) where: Base-Base interactions energy: -714.846 where: short stacking energy: -339.844 Base-Backbone interact. energy: -1.675 local terms energy: -432.957919 where: bonds (distance) C4'-P energy: -98.065 bonds (distance) P-C4' energy: -100.014 flat angles C4'-P-C4' energy: -104.067 flat angles P-C4'-P energy: -59.984 tors. eta vs tors. theta energy: -70.827 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: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -931.485864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.485864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.485864 (E_RNA) where: Base-Base interactions energy: -544.076 where: short stacking energy: -278.983 Base-Backbone interact. energy: -3.719 local terms energy: -383.690320 where: bonds (distance) C4'-P energy: -99.425 bonds (distance) P-C4' energy: -95.025 flat angles C4'-P-C4' energy: -95.226 flat angles P-C4'-P energy: -49.520 tors. eta vs tors. theta energy: -44.495 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: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -728.320656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.320656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.320656 (E_RNA) where: Base-Base interactions energy: -394.919 where: short stacking energy: -188.542 Base-Backbone interact. energy: 2.521 local terms energy: -335.922512 where: bonds (distance) C4'-P energy: -96.603 bonds (distance) P-C4' energy: -88.863 flat angles C4'-P-C4' energy: -86.357 flat angles P-C4'-P energy: -56.354 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -748.342639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.342639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.342639 (E_RNA) where: Base-Base interactions energy: -420.235 where: short stacking energy: -214.956 Base-Backbone interact. energy: 1.681 local terms energy: -329.789040 where: bonds (distance) C4'-P energy: -81.530 bonds (distance) P-C4' energy: -84.678 flat angles C4'-P-C4' energy: -87.427 flat angles P-C4'-P energy: -57.004 tors. eta vs tors. theta energy: -19.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -488.928057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.928057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.928057 (E_RNA) where: Base-Base interactions energy: -208.366 where: short stacking energy: -136.893 Base-Backbone interact. energy: 0.643 local terms energy: -281.204680 where: bonds (distance) C4'-P energy: -72.789 bonds (distance) P-C4' energy: -93.602 flat angles C4'-P-C4' energy: -70.765 flat angles P-C4'-P energy: -51.181 tors. eta vs tors. theta energy: 7.131 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: 159 Temperature: 0.900000 Total energy: -1773.666417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.666417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.666417 (E_RNA) where: Base-Base interactions energy: -1208.640 where: short stacking energy: -549.647 Base-Backbone interact. energy: -1.136 local terms energy: -563.891353 where: bonds (distance) C4'-P energy: -103.189 bonds (distance) P-C4' energy: -115.676 flat angles C4'-P-C4' energy: -118.136 flat angles P-C4'-P energy: -72.324 tors. eta vs tors. theta energy: -154.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1668.485228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.485228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.485228 (E_RNA) where: Base-Base interactions energy: -1101.361 where: short stacking energy: -498.904 Base-Backbone interact. energy: -1.756 local terms energy: -565.368452 where: bonds (distance) C4'-P energy: -102.927 bonds (distance) P-C4' energy: -113.512 flat angles C4'-P-C4' energy: -118.410 flat angles P-C4'-P energy: -83.481 tors. eta vs tors. theta energy: -147.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1523.278191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.278191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.278191 (E_RNA) where: Base-Base interactions energy: -982.976 where: short stacking energy: -493.697 Base-Backbone interact. energy: -0.454 local terms energy: -539.847897 where: bonds (distance) C4'-P energy: -93.528 bonds (distance) P-C4' energy: -106.566 flat angles C4'-P-C4' energy: -119.939 flat angles P-C4'-P energy: -75.478 tors. eta vs tors. theta energy: -144.338 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: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1454.228776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.228776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.228776 (E_RNA) where: Base-Base interactions energy: -958.814 where: short stacking energy: -411.130 Base-Backbone interact. energy: -2.375 local terms energy: -493.040127 where: bonds (distance) C4'-P energy: -91.809 bonds (distance) P-C4' energy: -116.780 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -103.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1255.379203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.379203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.379203 (E_RNA) where: Base-Base interactions energy: -803.839 where: short stacking energy: -375.145 Base-Backbone interact. energy: 1.574 local terms energy: -453.113656 where: bonds (distance) C4'-P energy: -102.478 bonds (distance) P-C4' energy: -96.239 flat angles C4'-P-C4' energy: -108.865 flat angles P-C4'-P energy: -55.040 tors. eta vs tors. theta energy: -90.491 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: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1176.241590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.241590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.241590 (E_RNA) where: Base-Base interactions energy: -757.342 where: short stacking energy: -369.484 Base-Backbone interact. energy: -0.646 local terms energy: -418.252908 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -82.751 flat angles C4'-P-C4' energy: -105.470 flat angles P-C4'-P energy: -48.603 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: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -922.648482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.648482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.648482 (E_RNA) where: Base-Base interactions energy: -548.316 where: short stacking energy: -294.689 Base-Backbone interact. energy: -2.555 local terms energy: -371.777795 where: bonds (distance) C4'-P energy: -72.607 bonds (distance) P-C4' energy: -94.059 flat angles C4'-P-C4' energy: -103.693 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -50.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -813.101512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.101512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.101512 (E_RNA) where: Base-Base interactions energy: -447.417 where: short stacking energy: -218.695 Base-Backbone interact. energy: 1.489 local terms energy: -367.173714 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -87.184 flat angles C4'-P-C4' energy: -91.499 flat angles P-C4'-P energy: -60.688 tors. eta vs tors. theta energy: -23.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -713.178035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.178035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.178035 (E_RNA) where: Base-Base interactions energy: -396.063 where: short stacking energy: -245.583 Base-Backbone interact. energy: 0.503 local terms energy: -317.617117 where: bonds (distance) C4'-P energy: -87.503 bonds (distance) P-C4' energy: -76.160 flat angles C4'-P-C4' energy: -85.114 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: -29.579 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: 159 Temperature: 1.350000 Total energy: -516.886418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.886418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.886418 (E_RNA) where: Base-Base interactions energy: -229.750 where: short stacking energy: -159.792 Base-Backbone interact. energy: -0.297 local terms energy: -286.838912 where: bonds (distance) C4'-P energy: -78.408 bonds (distance) P-C4' energy: -85.510 flat angles C4'-P-C4' energy: -80.236 flat angles P-C4'-P energy: -37.613 tors. eta vs tors. theta energy: -5.072 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: 160 Temperature: 0.900000 Total energy: -1783.609943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.609943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.609943 (E_RNA) where: Base-Base interactions energy: -1215.620 where: short stacking energy: -553.910 Base-Backbone interact. energy: -2.077 local terms energy: -565.912901 where: bonds (distance) C4'-P energy: -103.088 bonds (distance) P-C4' energy: -107.879 flat angles C4'-P-C4' energy: -119.118 flat angles P-C4'-P energy: -88.896 tors. eta vs tors. theta energy: -146.931 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: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1646.464932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.464932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.464932 (E_RNA) where: Base-Base interactions energy: -1091.744 where: short stacking energy: -477.527 Base-Backbone interact. energy: 1.032 local terms energy: -555.752997 where: bonds (distance) C4'-P energy: -112.924 bonds (distance) P-C4' energy: -109.151 flat angles C4'-P-C4' energy: -117.007 flat angles P-C4'-P energy: -78.815 tors. eta vs tors. theta energy: -137.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1516.357878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.357878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.357878 (E_RNA) where: Base-Base interactions energy: -990.377 where: short stacking energy: -433.457 Base-Backbone interact. energy: -3.969 local terms energy: -522.011805 where: bonds (distance) C4'-P energy: -100.627 bonds (distance) P-C4' energy: -95.405 flat angles C4'-P-C4' energy: -107.532 flat angles P-C4'-P energy: -81.696 tors. eta vs tors. theta energy: -136.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1452.530342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.530342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.530342 (E_RNA) where: Base-Base interactions energy: -954.513 where: short stacking energy: -415.592 Base-Backbone interact. energy: -2.173 local terms energy: -495.844380 where: bonds (distance) C4'-P energy: -101.595 bonds (distance) P-C4' energy: -101.175 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -113.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1262.405323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.405323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.405323 (E_RNA) where: Base-Base interactions energy: -815.561 where: short stacking energy: -385.337 Base-Backbone interact. energy: -1.394 local terms energy: -445.450182 where: bonds (distance) C4'-P energy: -91.531 bonds (distance) P-C4' energy: -92.924 flat angles C4'-P-C4' energy: -108.487 flat angles P-C4'-P energy: -65.719 tors. eta vs tors. theta energy: -86.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1170.488611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.488611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.488611 (E_RNA) where: Base-Base interactions energy: -739.736 where: short stacking energy: -333.962 Base-Backbone interact. energy: 4.738 local terms energy: -435.490882 where: bonds (distance) C4'-P energy: -106.201 bonds (distance) P-C4' energy: -89.940 flat angles C4'-P-C4' energy: -93.497 flat angles P-C4'-P energy: -69.813 tors. eta vs tors. theta energy: -76.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -951.166850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.166850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.166850 (E_RNA) where: Base-Base interactions energy: -559.730 where: short stacking energy: -292.109 Base-Backbone interact. energy: -7.214 local terms energy: -384.222576 where: bonds (distance) C4'-P energy: -90.801 bonds (distance) P-C4' energy: -96.230 flat angles C4'-P-C4' energy: -95.256 flat angles P-C4'-P energy: -54.677 tors. eta vs tors. theta energy: -47.259 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: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -823.377303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.377303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.377303 (E_RNA) where: Base-Base interactions energy: -491.535 where: short stacking energy: -192.873 Base-Backbone interact. energy: 4.149 local terms energy: -335.991079 where: bonds (distance) C4'-P energy: -104.471 bonds (distance) P-C4' energy: -83.838 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -42.165 tors. eta vs tors. theta energy: -17.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -668.813956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.813956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.813956 (E_RNA) where: Base-Base interactions energy: -352.753 where: short stacking energy: -188.297 Base-Backbone interact. energy: -0.103 local terms energy: -315.958071 where: bonds (distance) C4'-P energy: -83.919 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -84.745 flat angles P-C4'-P energy: -56.844 tors. eta vs tors. theta energy: -3.100 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: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -587.010742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.010742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.010742 (E_RNA) where: Base-Base interactions energy: -249.752 where: short stacking energy: -157.102 Base-Backbone interact. energy: 0.201 local terms energy: -337.459739 where: bonds (distance) C4'-P energy: -94.776 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -82.600 flat angles P-C4'-P energy: -49.002 tors. eta vs tors. theta energy: -14.506 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: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1805.606503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.606503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.606503 (E_RNA) where: Base-Base interactions energy: -1203.216 where: short stacking energy: -564.295 Base-Backbone interact. energy: -2.967 local terms energy: -599.423171 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -108.415 flat angles C4'-P-C4' energy: -124.896 flat angles P-C4'-P energy: -96.664 tors. eta vs tors. theta energy: -166.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1651.591605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.591605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.591605 (E_RNA) where: Base-Base interactions energy: -1109.186 where: short stacking energy: -504.178 Base-Backbone interact. energy: -5.520 local terms energy: -536.886174 where: bonds (distance) C4'-P energy: -88.311 bonds (distance) P-C4' energy: -107.901 flat angles C4'-P-C4' energy: -124.645 flat angles P-C4'-P energy: -73.339 tors. eta vs tors. theta energy: -142.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1526.169986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.169986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.169986 (E_RNA) where: Base-Base interactions energy: -997.836 where: short stacking energy: -452.078 Base-Backbone interact. energy: -1.274 local terms energy: -527.060607 where: bonds (distance) C4'-P energy: -100.878 bonds (distance) P-C4' energy: -106.272 flat angles C4'-P-C4' energy: -108.281 flat angles P-C4'-P energy: -75.826 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: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1450.850111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.850111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.850111 (E_RNA) where: Base-Base interactions energy: -947.889 where: short stacking energy: -452.052 Base-Backbone interact. energy: -2.566 local terms energy: -500.394702 where: bonds (distance) C4'-P energy: -99.604 bonds (distance) P-C4' energy: -108.039 flat angles C4'-P-C4' energy: -111.684 flat angles P-C4'-P energy: -68.007 tors. eta vs tors. theta energy: -113.062 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: 161 Temperature: 1.100000 Total energy: -1268.675649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.675649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.675649 (E_RNA) where: Base-Base interactions energy: -815.302 where: short stacking energy: -362.738 Base-Backbone interact. energy: 2.193 local terms energy: -455.566792 where: bonds (distance) C4'-P energy: -88.479 bonds (distance) P-C4' energy: -108.740 flat angles C4'-P-C4' energy: -101.202 flat angles P-C4'-P energy: -68.957 tors. eta vs tors. theta energy: -88.188 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1199.707714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.707714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.707714 (E_RNA) where: Base-Base interactions energy: -754.651 where: short stacking energy: -344.274 Base-Backbone interact. energy: -2.027 local terms energy: -443.029077 where: bonds (distance) C4'-P energy: -96.006 bonds (distance) P-C4' energy: -95.805 flat angles C4'-P-C4' energy: -113.471 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -73.934 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: 161 Temperature: 1.200000 Total energy: -969.738041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.738041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.738041 (E_RNA) where: Base-Base interactions energy: -583.445 where: short stacking energy: -275.111 Base-Backbone interact. energy: -0.975 local terms energy: -385.317788 where: bonds (distance) C4'-P energy: -94.929 bonds (distance) P-C4' energy: -81.661 flat angles C4'-P-C4' energy: -100.005 flat angles P-C4'-P energy: -58.249 tors. eta vs tors. theta energy: -50.473 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: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -807.926462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.926462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.926462 (E_RNA) where: Base-Base interactions energy: -449.556 where: short stacking energy: -207.612 Base-Backbone interact. energy: 1.164 local terms energy: -359.533797 where: bonds (distance) C4'-P energy: -99.513 bonds (distance) P-C4' energy: -112.173 flat angles C4'-P-C4' energy: -88.434 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -11.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -671.322089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.322089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.322089 (E_RNA) where: Base-Base interactions energy: -358.949 where: short stacking energy: -178.624 Base-Backbone interact. energy: -1.384 local terms energy: -310.989179 where: bonds (distance) C4'-P energy: -99.012 bonds (distance) P-C4' energy: -86.410 flat angles C4'-P-C4' energy: -80.189 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -578.813344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.813344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.813344 (E_RNA) where: Base-Base interactions energy: -300.808 where: short stacking energy: -169.444 Base-Backbone interact. energy: 2.191 local terms energy: -280.196591 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -102.779 flat angles C4'-P-C4' energy: -64.923 flat angles P-C4'-P energy: -54.457 tors. eta vs tors. theta energy: 9.523 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1791.034133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.034133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.034133 (E_RNA) where: Base-Base interactions energy: -1194.046 where: short stacking energy: -548.260 Base-Backbone interact. energy: -1.266 local terms energy: -595.722134 where: bonds (distance) C4'-P energy: -118.527 bonds (distance) P-C4' energy: -97.261 flat angles C4'-P-C4' energy: -132.225 flat angles P-C4'-P energy: -92.155 tors. eta vs tors. theta energy: -155.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1652.036375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.036375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.036375 (E_RNA) where: Base-Base interactions energy: -1104.041 where: short stacking energy: -497.996 Base-Backbone interact. energy: -2.305 local terms energy: -545.690862 where: bonds (distance) C4'-P energy: -111.015 bonds (distance) P-C4' energy: -104.451 flat angles C4'-P-C4' energy: -120.209 flat angles P-C4'-P energy: -74.652 tors. eta vs tors. theta energy: -135.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1537.329416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.329416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.329416 (E_RNA) where: Base-Base interactions energy: -1024.571 where: short stacking energy: -439.926 Base-Backbone interact. energy: 1.040 local terms energy: -513.798660 where: bonds (distance) C4'-P energy: -111.591 bonds (distance) P-C4' energy: -115.596 flat angles C4'-P-C4' energy: -88.287 flat angles P-C4'-P energy: -77.781 tors. eta vs tors. theta energy: -120.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1429.877779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.877779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.877779 (E_RNA) where: Base-Base interactions energy: -913.571 where: short stacking energy: -423.866 Base-Backbone interact. energy: 0.822 local terms energy: -517.128695 where: bonds (distance) C4'-P energy: -100.061 bonds (distance) P-C4' energy: -109.902 flat angles C4'-P-C4' energy: -121.473 flat angles P-C4'-P energy: -76.573 tors. eta vs tors. theta energy: -109.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1283.148353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.148353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.148353 (E_RNA) where: Base-Base interactions energy: -833.252 where: short stacking energy: -380.526 Base-Backbone interact. energy: 0.164 local terms energy: -450.060461 where: bonds (distance) C4'-P energy: -91.879 bonds (distance) P-C4' energy: -99.813 flat angles C4'-P-C4' energy: -114.038 flat angles P-C4'-P energy: -56.897 tors. eta vs tors. theta energy: -87.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1219.385526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.385526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.385526 (E_RNA) where: Base-Base interactions energy: -744.109 where: short stacking energy: -325.452 Base-Backbone interact. energy: -1.921 local terms energy: -473.355850 where: bonds (distance) C4'-P energy: -92.762 bonds (distance) P-C4' energy: -108.792 flat angles C4'-P-C4' energy: -112.088 flat angles P-C4'-P energy: -76.760 tors. eta vs tors. theta energy: -82.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -935.394539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.394539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.394539 (E_RNA) where: Base-Base interactions energy: -573.328 where: short stacking energy: -246.178 Base-Backbone interact. energy: -5.884 local terms energy: -356.182455 where: bonds (distance) C4'-P energy: -91.216 bonds (distance) P-C4' energy: -98.068 flat angles C4'-P-C4' energy: -89.070 flat angles P-C4'-P energy: -58.876 tors. eta vs tors. theta energy: -18.953 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: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -784.689169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.689169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.689169 (E_RNA) where: Base-Base interactions energy: -469.169 where: short stacking energy: -217.846 Base-Backbone interact. energy: 2.125 local terms energy: -317.645559 where: bonds (distance) C4'-P energy: -85.625 bonds (distance) P-C4' energy: -89.063 flat angles C4'-P-C4' energy: -85.028 flat angles P-C4'-P energy: -53.357 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -702.385989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.385989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.385989 (E_RNA) where: Base-Base interactions energy: -367.068 where: short stacking energy: -209.389 Base-Backbone interact. energy: 0.474 local terms energy: -335.792586 where: bonds (distance) C4'-P energy: -94.572 bonds (distance) P-C4' energy: -90.932 flat angles C4'-P-C4' energy: -75.745 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: -20.284 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: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -560.601548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.601548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.601548 (E_RNA) where: Base-Base interactions energy: -283.610 where: short stacking energy: -165.855 Base-Backbone interact. energy: -2.522 local terms energy: -274.469839 where: bonds (distance) C4'-P energy: -77.504 bonds (distance) P-C4' energy: -92.436 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: 9.834 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: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1792.770656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.770656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.770656 (E_RNA) where: Base-Base interactions energy: -1217.044 where: short stacking energy: -539.304 Base-Backbone interact. energy: -3.900 local terms energy: -571.826905 where: bonds (distance) C4'-P energy: -107.243 bonds (distance) P-C4' energy: -109.866 flat angles C4'-P-C4' energy: -116.555 flat angles P-C4'-P energy: -88.443 tors. eta vs tors. theta energy: -149.720 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: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1669.092111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.092111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.092111 (E_RNA) where: Base-Base interactions energy: -1088.171 where: short stacking energy: -501.144 Base-Backbone interact. energy: -3.152 local terms energy: -577.769317 where: bonds (distance) C4'-P energy: -105.816 bonds (distance) P-C4' energy: -114.890 flat angles C4'-P-C4' energy: -132.567 flat angles P-C4'-P energy: -84.845 tors. eta vs tors. theta energy: -139.652 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: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1484.909126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.909126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.909126 (E_RNA) where: Base-Base interactions energy: -987.233 where: short stacking energy: -428.223 Base-Backbone interact. energy: 1.111 local terms energy: -498.786620 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -107.236 flat angles C4'-P-C4' energy: -125.263 flat angles P-C4'-P energy: -57.844 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: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1440.922498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.922498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.922498 (E_RNA) where: Base-Base interactions energy: -945.588 where: short stacking energy: -424.776 Base-Backbone interact. energy: -3.226 local terms energy: -492.108026 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -116.734 flat angles P-C4'-P energy: -64.261 tors. eta vs tors. theta energy: -105.683 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: 163 Temperature: 1.100000 Total energy: -1277.608859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.608859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.608859 (E_RNA) where: Base-Base interactions energy: -836.627 where: short stacking energy: -377.364 Base-Backbone interact. energy: -2.478 local terms energy: -438.503114 where: bonds (distance) C4'-P energy: -81.026 bonds (distance) P-C4' energy: -101.568 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -72.739 tors. eta vs tors. theta energy: -85.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1250.338933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.338933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.338933 (E_RNA) where: Base-Base interactions energy: -790.607 where: short stacking energy: -401.442 Base-Backbone interact. energy: -1.063 local terms energy: -458.669164 where: bonds (distance) C4'-P energy: -93.552 bonds (distance) P-C4' energy: -93.517 flat angles C4'-P-C4' energy: -114.659 flat angles P-C4'-P energy: -57.461 tors. eta vs tors. theta energy: -99.481 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: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -926.087125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.087125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.087125 (E_RNA) where: Base-Base interactions energy: -540.744 where: short stacking energy: -264.935 Base-Backbone interact. energy: -0.029 local terms energy: -385.314086 where: bonds (distance) C4'-P energy: -96.587 bonds (distance) P-C4' energy: -95.129 flat angles C4'-P-C4' energy: -85.253 flat angles P-C4'-P energy: -63.483 tors. eta vs tors. theta energy: -44.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -741.227673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.227673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.227673 (E_RNA) where: Base-Base interactions energy: -407.181 where: short stacking energy: -221.900 Base-Backbone interact. energy: 1.471 local terms energy: -335.518089 where: bonds (distance) C4'-P energy: -85.642 bonds (distance) P-C4' energy: -86.671 flat angles C4'-P-C4' energy: -87.945 flat angles P-C4'-P energy: -58.439 tors. eta vs tors. theta energy: -16.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -737.380364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.380364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.380364 (E_RNA) where: Base-Base interactions energy: -423.839 where: short stacking energy: -183.578 Base-Backbone interact. energy: 2.892 local terms energy: -316.433185 where: bonds (distance) C4'-P energy: -99.536 bonds (distance) P-C4' energy: -92.678 flat angles C4'-P-C4' energy: -62.350 flat angles P-C4'-P energy: -50.466 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -589.170557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.170557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.170557 (E_RNA) where: Base-Base interactions energy: -267.971 where: short stacking energy: -155.768 Base-Backbone interact. energy: 3.506 local terms energy: -324.705554 where: bonds (distance) C4'-P energy: -86.949 bonds (distance) P-C4' energy: -84.600 flat angles C4'-P-C4' energy: -91.191 flat angles P-C4'-P energy: -65.085 tors. eta vs tors. theta energy: 3.120 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: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1808.521051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.521051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.521051 (E_RNA) where: Base-Base interactions energy: -1234.235 where: short stacking energy: -552.666 Base-Backbone interact. energy: -1.124 local terms energy: -573.162002 where: bonds (distance) C4'-P energy: -102.375 bonds (distance) P-C4' energy: -108.283 flat angles C4'-P-C4' energy: -128.411 flat angles P-C4'-P energy: -93.724 tors. eta vs tors. theta energy: -140.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1650.674590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.674590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.674590 (E_RNA) where: Base-Base interactions energy: -1084.454 where: short stacking energy: -478.685 Base-Backbone interact. energy: -3.463 local terms energy: -562.757598 where: bonds (distance) C4'-P energy: -92.422 bonds (distance) P-C4' energy: -120.079 flat angles C4'-P-C4' energy: -123.516 flat angles P-C4'-P energy: -88.184 tors. eta vs tors. theta energy: -138.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1469.817949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.817949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.817949 (E_RNA) where: Base-Base interactions energy: -930.890 where: short stacking energy: -399.242 Base-Backbone interact. energy: -1.346 local terms energy: -537.582436 where: bonds (distance) C4'-P energy: -107.022 bonds (distance) P-C4' energy: -119.830 flat angles C4'-P-C4' energy: -120.826 flat angles P-C4'-P energy: -70.644 tors. eta vs tors. theta energy: -119.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1475.992472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.992472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.992472 (E_RNA) where: Base-Base interactions energy: -974.355 where: short stacking energy: -455.678 Base-Backbone interact. energy: -2.604 local terms energy: -499.034153 where: bonds (distance) C4'-P energy: -92.611 bonds (distance) P-C4' energy: -93.561 flat angles C4'-P-C4' energy: -122.965 flat angles P-C4'-P energy: -62.954 tors. eta vs tors. theta energy: -126.943 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: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1326.401682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.401682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.401682 (E_RNA) where: Base-Base interactions energy: -857.834 where: short stacking energy: -384.245 Base-Backbone interact. energy: -1.812 local terms energy: -466.754995 where: bonds (distance) C4'-P energy: -97.109 bonds (distance) P-C4' energy: -99.568 flat angles C4'-P-C4' energy: -111.732 flat angles P-C4'-P energy: -72.513 tors. eta vs tors. theta energy: -85.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1217.865802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.865802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.865802 (E_RNA) where: Base-Base interactions energy: -792.860 where: short stacking energy: -374.053 Base-Backbone interact. energy: -0.626 local terms energy: -424.379914 where: bonds (distance) C4'-P energy: -97.273 bonds (distance) P-C4' energy: -79.657 flat angles C4'-P-C4' energy: -96.239 flat angles P-C4'-P energy: -58.813 tors. eta vs tors. theta energy: -92.397 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: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -894.408308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.408308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.408308 (E_RNA) where: Base-Base interactions energy: -553.782 where: short stacking energy: -251.033 Base-Backbone interact. energy: -1.790 local terms energy: -338.836563 where: bonds (distance) C4'-P energy: -88.925 bonds (distance) P-C4' energy: -84.119 flat angles C4'-P-C4' energy: -94.005 flat angles P-C4'-P energy: -54.941 tors. eta vs tors. theta energy: -16.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -741.700341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.700341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.700341 (E_RNA) where: Base-Base interactions energy: -405.267 where: short stacking energy: -217.381 Base-Backbone interact. energy: -0.266 local terms energy: -336.167694 where: bonds (distance) C4'-P energy: -95.893 bonds (distance) P-C4' energy: -92.869 flat angles C4'-P-C4' energy: -75.006 flat angles P-C4'-P energy: -51.976 tors. eta vs tors. theta energy: -20.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -742.072760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.072760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.072760 (E_RNA) where: Base-Base interactions energy: -389.194 where: short stacking energy: -220.891 Base-Backbone interact. energy: 9.061 local terms energy: -361.939264 where: bonds (distance) C4'-P energy: -77.757 bonds (distance) P-C4' energy: -108.123 flat angles C4'-P-C4' energy: -93.021 flat angles P-C4'-P energy: -55.357 tors. eta vs tors. theta energy: -27.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -565.058789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.058789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.058789 (E_RNA) where: Base-Base interactions energy: -280.994 where: short stacking energy: -159.617 Base-Backbone interact. energy: -1.105 local terms energy: -282.959908 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -75.575 flat angles C4'-P-C4' energy: -82.499 flat angles P-C4'-P energy: -42.306 tors. eta vs tors. theta energy: 16.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1811.403769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.403769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.403769 (E_RNA) where: Base-Base interactions energy: -1228.514 where: short stacking energy: -549.927 Base-Backbone interact. energy: -3.406 local terms energy: -579.484098 where: bonds (distance) C4'-P energy: -104.476 bonds (distance) P-C4' energy: -104.907 flat angles C4'-P-C4' energy: -120.158 flat angles P-C4'-P energy: -86.516 tors. eta vs tors. theta energy: -163.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1686.694476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.694476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.694476 (E_RNA) where: Base-Base interactions energy: -1125.659 where: short stacking energy: -479.424 Base-Backbone interact. energy: -5.409 local terms energy: -555.626038 where: bonds (distance) C4'-P energy: -103.211 bonds (distance) P-C4' energy: -107.978 flat angles C4'-P-C4' energy: -129.971 flat angles P-C4'-P energy: -83.307 tors. eta vs tors. theta energy: -131.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1453.908384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.908384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.908384 (E_RNA) where: Base-Base interactions energy: -927.941 where: short stacking energy: -423.054 Base-Backbone interact. energy: 2.430 local terms energy: -528.396770 where: bonds (distance) C4'-P energy: -117.953 bonds (distance) P-C4' energy: -110.437 flat angles C4'-P-C4' energy: -120.484 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -103.540 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: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1500.413775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.413775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.413775 (E_RNA) where: Base-Base interactions energy: -989.275 where: short stacking energy: -467.486 Base-Backbone interact. energy: -1.231 local terms energy: -509.908468 where: bonds (distance) C4'-P energy: -90.429 bonds (distance) P-C4' energy: -102.111 flat angles C4'-P-C4' energy: -114.564 flat angles P-C4'-P energy: -67.556 tors. eta vs tors. theta energy: -135.248 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: 165 Temperature: 1.100000 Total energy: -1393.169137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.169137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.169137 (E_RNA) where: Base-Base interactions energy: -931.265 where: short stacking energy: -413.396 Base-Backbone interact. energy: -0.638 local terms energy: -461.266654 where: bonds (distance) C4'-P energy: -85.751 bonds (distance) P-C4' energy: -101.180 flat angles C4'-P-C4' energy: -108.519 flat angles P-C4'-P energy: -55.500 tors. eta vs tors. theta energy: -110.316 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: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1254.501872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.501872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.501872 (E_RNA) where: Base-Base interactions energy: -794.183 where: short stacking energy: -370.358 Base-Backbone interact. energy: 2.233 local terms energy: -462.552139 where: bonds (distance) C4'-P energy: -101.013 bonds (distance) P-C4' energy: -106.163 flat angles C4'-P-C4' energy: -100.535 flat angles P-C4'-P energy: -65.343 tors. eta vs tors. theta energy: -89.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -849.334465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.334465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.334465 (E_RNA) where: Base-Base interactions energy: -468.036 where: short stacking energy: -240.633 Base-Backbone interact. energy: -2.675 local terms energy: -378.623483 where: bonds (distance) C4'-P energy: -85.823 bonds (distance) P-C4' energy: -87.083 flat angles C4'-P-C4' energy: -96.908 flat angles P-C4'-P energy: -72.780 tors. eta vs tors. theta energy: -36.029 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: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -769.412919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.412919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.412919 (E_RNA) where: Base-Base interactions energy: -424.489 where: short stacking energy: -233.169 Base-Backbone interact. energy: -1.051 local terms energy: -343.872783 where: bonds (distance) C4'-P energy: -81.412 bonds (distance) P-C4' energy: -105.645 flat angles C4'-P-C4' energy: -86.696 flat angles P-C4'-P energy: -51.152 tors. eta vs tors. theta energy: -18.968 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: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -717.123714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.123714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.123714 (E_RNA) where: Base-Base interactions energy: -390.335 where: short stacking energy: -206.525 Base-Backbone interact. energy: 0.982 local terms energy: -327.771038 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -95.516 flat angles C4'-P-C4' energy: -78.293 flat angles P-C4'-P energy: -43.536 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: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -577.092837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.092837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.092837 (E_RNA) where: Base-Base interactions energy: -273.000 where: short stacking energy: -169.100 Base-Backbone interact. energy: -2.252 local terms energy: -301.840992 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -89.329 flat angles C4'-P-C4' energy: -81.004 flat angles P-C4'-P energy: -37.834 tors. eta vs tors. theta energy: -2.845 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: 166 Temperature: 0.900000 Total energy: -1800.055831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.055831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.055831 (E_RNA) where: Base-Base interactions energy: -1235.176 where: short stacking energy: -532.417 Base-Backbone interact. energy: -1.539 local terms energy: -563.340628 where: bonds (distance) C4'-P energy: -111.720 bonds (distance) P-C4' energy: -110.199 flat angles C4'-P-C4' energy: -115.458 flat angles P-C4'-P energy: -80.969 tors. eta vs tors. theta energy: -144.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1650.780953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.780953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.780953 (E_RNA) where: Base-Base interactions energy: -1098.561 where: short stacking energy: -473.351 Base-Backbone interact. energy: -3.044 local terms energy: -549.175711 where: bonds (distance) C4'-P energy: -113.461 bonds (distance) P-C4' energy: -110.871 flat angles C4'-P-C4' energy: -117.843 flat angles P-C4'-P energy: -74.662 tors. eta vs tors. theta energy: -132.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1511.744990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.744990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.744990 (E_RNA) where: Base-Base interactions energy: -1003.770 where: short stacking energy: -479.661 Base-Backbone interact. energy: -0.295 local terms energy: -507.679563 where: bonds (distance) C4'-P energy: -87.908 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -118.561 flat angles P-C4'-P energy: -80.736 tors. eta vs tors. theta energy: -122.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1407.271309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.271309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.271309 (E_RNA) where: Base-Base interactions energy: -932.506 where: short stacking energy: -408.046 Base-Backbone interact. energy: -2.238 local terms energy: -472.527323 where: bonds (distance) C4'-P energy: -92.793 bonds (distance) P-C4' energy: -101.395 flat angles C4'-P-C4' energy: -106.588 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: -95.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1377.970101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.970101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.970101 (E_RNA) where: Base-Base interactions energy: -906.593 where: short stacking energy: -405.042 Base-Backbone interact. energy: -1.646 local terms energy: -469.731571 where: bonds (distance) C4'-P energy: -93.629 bonds (distance) P-C4' energy: -97.745 flat angles C4'-P-C4' energy: -98.968 flat angles P-C4'-P energy: -62.696 tors. eta vs tors. theta energy: -116.693 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: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1237.977870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.977870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.977870 (E_RNA) where: Base-Base interactions energy: -809.166 where: short stacking energy: -372.289 Base-Backbone interact. energy: -2.061 local terms energy: -426.750204 where: bonds (distance) C4'-P energy: -90.891 bonds (distance) P-C4' energy: -90.517 flat angles C4'-P-C4' energy: -105.733 flat angles P-C4'-P energy: -59.389 tors. eta vs tors. theta energy: -80.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -868.342035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.342035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.342035 (E_RNA) where: Base-Base interactions energy: -511.130 where: short stacking energy: -242.095 Base-Backbone interact. energy: -1.027 local terms energy: -356.185727 where: bonds (distance) C4'-P energy: -72.565 bonds (distance) P-C4' energy: -96.961 flat angles C4'-P-C4' energy: -93.220 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -40.238 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: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -767.275541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.275541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.275541 (E_RNA) where: Base-Base interactions energy: -418.062 where: short stacking energy: -232.720 Base-Backbone interact. energy: -3.046 local terms energy: -346.166711 where: bonds (distance) C4'-P energy: -87.522 bonds (distance) P-C4' energy: -97.076 flat angles C4'-P-C4' energy: -96.888 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: -11.094 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: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -752.513075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.513075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.513075 (E_RNA) where: Base-Base interactions energy: -430.679 where: short stacking energy: -200.130 Base-Backbone interact. energy: -3.119 local terms energy: -318.715185 where: bonds (distance) C4'-P energy: -78.813 bonds (distance) P-C4' energy: -98.798 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -56.048 tors. eta vs tors. theta energy: -8.929 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: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -592.794347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.794347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.794347 (E_RNA) where: Base-Base interactions energy: -271.337 where: short stacking energy: -168.250 Base-Backbone interact. energy: 0.886 local terms energy: -322.342565 where: bonds (distance) C4'-P energy: -101.374 bonds (distance) P-C4' energy: -91.849 flat angles C4'-P-C4' energy: -78.773 flat angles P-C4'-P energy: -51.158 tors. eta vs tors. theta energy: 0.811 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: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1787.653159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.653159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.653159 (E_RNA) where: Base-Base interactions energy: -1195.740 where: short stacking energy: -537.017 Base-Backbone interact. energy: -2.443 local terms energy: -589.470412 where: bonds (distance) C4'-P energy: -113.218 bonds (distance) P-C4' energy: -108.364 flat angles C4'-P-C4' energy: -119.259 flat angles P-C4'-P energy: -94.219 tors. eta vs tors. theta energy: -154.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1681.744693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.744693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.744693 (E_RNA) where: Base-Base interactions energy: -1122.580 where: short stacking energy: -470.239 Base-Backbone interact. energy: -4.901 local terms energy: -554.263471 where: bonds (distance) C4'-P energy: -106.340 bonds (distance) P-C4' energy: -111.643 flat angles C4'-P-C4' energy: -125.930 flat angles P-C4'-P energy: -77.721 tors. eta vs tors. theta energy: -132.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1531.484314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.484314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.484314 (E_RNA) where: Base-Base interactions energy: -1009.315 where: short stacking energy: -470.858 Base-Backbone interact. energy: -1.194 local terms energy: -520.974937 where: bonds (distance) C4'-P energy: -104.690 bonds (distance) P-C4' energy: -111.753 flat angles C4'-P-C4' energy: -114.826 flat angles P-C4'-P energy: -68.092 tors. eta vs tors. theta energy: -121.614 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: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1424.009704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.009704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.009704 (E_RNA) where: Base-Base interactions energy: -924.098 where: short stacking energy: -417.038 Base-Backbone interact. energy: -1.538 local terms energy: -498.373311 where: bonds (distance) C4'-P energy: -94.315 bonds (distance) P-C4' energy: -109.705 flat angles C4'-P-C4' energy: -114.599 flat angles P-C4'-P energy: -74.666 tors. eta vs tors. theta energy: -105.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1368.655085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.655085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.655085 (E_RNA) where: Base-Base interactions energy: -878.432 where: short stacking energy: -384.688 Base-Backbone interact. energy: -0.223 local terms energy: -489.999671 where: bonds (distance) C4'-P energy: -116.296 bonds (distance) P-C4' energy: -109.718 flat angles C4'-P-C4' energy: -97.092 flat angles P-C4'-P energy: -68.593 tors. eta vs tors. theta energy: -98.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1186.073911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.073911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.073911 (E_RNA) where: Base-Base interactions energy: -744.924 where: short stacking energy: -355.485 Base-Backbone interact. energy: -0.947 local terms energy: -440.202808 where: bonds (distance) C4'-P energy: -90.195 bonds (distance) P-C4' energy: -100.890 flat angles C4'-P-C4' energy: -106.313 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -77.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -917.289030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.289030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.289030 (E_RNA) where: Base-Base interactions energy: -541.481 where: short stacking energy: -265.600 Base-Backbone interact. energy: -3.298 local terms energy: -372.510424 where: bonds (distance) C4'-P energy: -79.248 bonds (distance) P-C4' energy: -104.174 flat angles C4'-P-C4' energy: -89.818 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -41.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -774.291245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.291245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.291245 (E_RNA) where: Base-Base interactions energy: -416.554 where: short stacking energy: -206.073 Base-Backbone interact. energy: -1.995 local terms energy: -355.742764 where: bonds (distance) C4'-P energy: -101.941 bonds (distance) P-C4' energy: -98.473 flat angles C4'-P-C4' energy: -76.201 flat angles P-C4'-P energy: -54.935 tors. eta vs tors. theta energy: -24.193 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: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -731.649783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.649783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.649783 (E_RNA) where: Base-Base interactions energy: -384.609 where: short stacking energy: -205.822 Base-Backbone interact. energy: 0.703 local terms energy: -347.743859 where: bonds (distance) C4'-P energy: -84.573 bonds (distance) P-C4' energy: -103.486 flat angles C4'-P-C4' energy: -84.514 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -22.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -605.255348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.255348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.255348 (E_RNA) where: Base-Base interactions energy: -310.074 where: short stacking energy: -160.303 Base-Backbone interact. energy: 1.839 local terms energy: -297.019643 where: bonds (distance) C4'-P energy: -60.435 bonds (distance) P-C4' energy: -96.936 flat angles C4'-P-C4' energy: -98.415 flat angles P-C4'-P energy: -38.892 tors. eta vs tors. theta energy: -2.341 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: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1812.820555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.820555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.820555 (E_RNA) where: Base-Base interactions energy: -1235.352 where: short stacking energy: -566.273 Base-Backbone interact. energy: 1.214 local terms energy: -578.682020 where: bonds (distance) C4'-P energy: -115.685 bonds (distance) P-C4' energy: -114.715 flat angles C4'-P-C4' energy: -119.708 flat angles P-C4'-P energy: -72.425 tors. eta vs tors. theta energy: -156.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1702.016056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.016056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.016056 (E_RNA) where: Base-Base interactions energy: -1149.220 where: short stacking energy: -506.448 Base-Backbone interact. energy: -3.885 local terms energy: -548.910603 where: bonds (distance) C4'-P energy: -92.918 bonds (distance) P-C4' energy: -104.182 flat angles C4'-P-C4' energy: -132.945 flat angles P-C4'-P energy: -80.596 tors. eta vs tors. theta energy: -138.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1518.723651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.723651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.723651 (E_RNA) where: Base-Base interactions energy: -994.946 where: short stacking energy: -473.421 Base-Backbone interact. energy: -2.075 local terms energy: -521.702508 where: bonds (distance) C4'-P energy: -101.295 bonds (distance) P-C4' energy: -99.409 flat angles C4'-P-C4' energy: -119.520 flat angles P-C4'-P energy: -79.790 tors. eta vs tors. theta energy: -121.688 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: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1432.280653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.280653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.280653 (E_RNA) where: Base-Base interactions energy: -963.560 where: short stacking energy: -408.042 Base-Backbone interact. energy: -4.142 local terms energy: -464.578346 where: bonds (distance) C4'-P energy: -84.013 bonds (distance) P-C4' energy: -100.367 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -67.971 tors. eta vs tors. theta energy: -103.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1382.122839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.122839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.122839 (E_RNA) where: Base-Base interactions energy: -935.060 where: short stacking energy: -391.323 Base-Backbone interact. energy: 7.480 local terms energy: -454.542712 where: bonds (distance) C4'-P energy: -104.546 bonds (distance) P-C4' energy: -97.512 flat angles C4'-P-C4' energy: -94.562 flat angles P-C4'-P energy: -59.155 tors. eta vs tors. theta energy: -98.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1184.468757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.468757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.468757 (E_RNA) where: Base-Base interactions energy: -748.284 where: short stacking energy: -374.050 Base-Backbone interact. energy: -0.259 local terms energy: -435.926201 where: bonds (distance) C4'-P energy: -88.424 bonds (distance) P-C4' energy: -101.226 flat angles C4'-P-C4' energy: -103.982 flat angles P-C4'-P energy: -50.580 tors. eta vs tors. theta energy: -91.715 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: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -941.384673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.384673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.384673 (E_RNA) where: Base-Base interactions energy: -571.427 where: short stacking energy: -260.708 Base-Backbone interact. energy: -2.770 local terms energy: -367.187583 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -97.964 flat angles P-C4'-P energy: -45.343 tors. eta vs tors. theta energy: -29.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -777.197593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.197593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.197593 (E_RNA) where: Base-Base interactions energy: -408.141 where: short stacking energy: -222.675 Base-Backbone interact. energy: -3.941 local terms energy: -365.116119 where: bonds (distance) C4'-P energy: -94.529 bonds (distance) P-C4' energy: -91.912 flat angles C4'-P-C4' energy: -94.307 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -26.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -734.556614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.556614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.556614 (E_RNA) where: Base-Base interactions energy: -395.217 where: short stacking energy: -213.192 Base-Backbone interact. energy: 4.485 local terms energy: -343.824875 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -91.396 flat angles C4'-P-C4' energy: -90.379 flat angles P-C4'-P energy: -47.151 tors. eta vs tors. theta energy: -20.789 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: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -555.974092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.974092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.974092 (E_RNA) where: Base-Base interactions energy: -252.159 where: short stacking energy: -154.778 Base-Backbone interact. energy: 2.742 local terms energy: -306.556658 where: bonds (distance) C4'-P energy: -92.417 bonds (distance) P-C4' energy: -89.999 flat angles C4'-P-C4' energy: -78.790 flat angles P-C4'-P energy: -55.396 tors. eta vs tors. theta energy: 10.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1804.923813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.923813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.923813 (E_RNA) where: Base-Base interactions energy: -1226.128 where: short stacking energy: -574.497 Base-Backbone interact. energy: -4.856 local terms energy: -573.940071 where: bonds (distance) C4'-P energy: -97.503 bonds (distance) P-C4' energy: -113.292 flat angles C4'-P-C4' energy: -120.331 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -162.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1644.509186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.509186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.509186 (E_RNA) where: Base-Base interactions energy: -1097.426 where: short stacking energy: -468.728 Base-Backbone interact. energy: -4.567 local terms energy: -542.516764 where: bonds (distance) C4'-P energy: -116.466 bonds (distance) P-C4' energy: -111.225 flat angles C4'-P-C4' energy: -104.873 flat angles P-C4'-P energy: -76.790 tors. eta vs tors. theta energy: -133.164 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: 8 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1543.084374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.084374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.084374 (E_RNA) where: Base-Base interactions energy: -1010.405 where: short stacking energy: -482.797 Base-Backbone interact. energy: -1.553 local terms energy: -531.126888 where: bonds (distance) C4'-P energy: -108.740 bonds (distance) P-C4' energy: -96.944 flat angles C4'-P-C4' energy: -104.537 flat angles P-C4'-P energy: -79.149 tors. eta vs tors. theta energy: -141.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1411.750853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.750853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.750853 (E_RNA) where: Base-Base interactions energy: -921.869 where: short stacking energy: -403.614 Base-Backbone interact. energy: -5.256 local terms energy: -484.626639 where: bonds (distance) C4'-P energy: -105.104 bonds (distance) P-C4' energy: -107.042 flat angles C4'-P-C4' energy: -105.240 flat angles P-C4'-P energy: -63.054 tors. eta vs tors. theta energy: -104.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1400.983084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.983084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.983084 (E_RNA) where: Base-Base interactions energy: -926.027 where: short stacking energy: -412.744 Base-Backbone interact. energy: -0.365 local terms energy: -474.590419 where: bonds (distance) C4'-P energy: -100.270 bonds (distance) P-C4' energy: -83.049 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -74.829 tors. eta vs tors. theta energy: -111.780 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: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1149.534005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.534005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.534005 (E_RNA) where: Base-Base interactions energy: -719.173 where: short stacking energy: -331.385 Base-Backbone interact. energy: 5.708 local terms energy: -436.068491 where: bonds (distance) C4'-P energy: -88.216 bonds (distance) P-C4' energy: -110.395 flat angles C4'-P-C4' energy: -92.741 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -78.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -901.432288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.432288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.432288 (E_RNA) where: Base-Base interactions energy: -534.064 where: short stacking energy: -263.896 Base-Backbone interact. energy: 5.859 local terms energy: -373.227183 where: bonds (distance) C4'-P energy: -95.102 bonds (distance) P-C4' energy: -87.838 flat angles C4'-P-C4' energy: -95.076 flat angles P-C4'-P energy: -48.253 tors. eta vs tors. theta energy: -46.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -767.378744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.378744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.378744 (E_RNA) where: Base-Base interactions energy: -424.569 where: short stacking energy: -208.478 Base-Backbone interact. energy: 3.984 local terms energy: -346.794312 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -99.009 flat angles C4'-P-C4' energy: -73.631 flat angles P-C4'-P energy: -66.375 tors. eta vs tors. theta energy: -27.162 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: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -701.313596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.313596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.313596 (E_RNA) where: Base-Base interactions energy: -387.755 where: short stacking energy: -197.723 Base-Backbone interact. energy: -1.965 local terms energy: -311.593907 where: bonds (distance) C4'-P energy: -96.584 bonds (distance) P-C4' energy: -86.287 flat angles C4'-P-C4' energy: -65.308 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: -12.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -559.932823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.932823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.932823 (E_RNA) where: Base-Base interactions energy: -259.515 where: short stacking energy: -130.933 Base-Backbone interact. energy: 1.539 local terms energy: -301.956307 where: bonds (distance) C4'-P energy: -84.996 bonds (distance) P-C4' energy: -113.166 flat angles C4'-P-C4' energy: -82.746 flat angles P-C4'-P energy: -35.079 tors. eta vs tors. theta energy: 14.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1807.102362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.102362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.102362 (E_RNA) where: Base-Base interactions energy: -1218.227 where: short stacking energy: -542.859 Base-Backbone interact. energy: -3.140 local terms energy: -585.735891 where: bonds (distance) C4'-P energy: -107.611 bonds (distance) P-C4' energy: -114.554 flat angles C4'-P-C4' energy: -127.934 flat angles P-C4'-P energy: -77.042 tors. eta vs tors. theta energy: -158.594 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: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1658.677764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.677764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.677764 (E_RNA) where: Base-Base interactions energy: -1130.800 where: short stacking energy: -497.984 Base-Backbone interact. energy: -4.844 local terms energy: -523.034024 where: bonds (distance) C4'-P energy: -104.286 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -115.439 flat angles P-C4'-P energy: -67.588 tors. eta vs tors. theta energy: -132.426 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: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1570.573721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.573721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.573721 (E_RNA) where: Base-Base interactions energy: -1006.587 where: short stacking energy: -477.352 Base-Backbone interact. energy: 4.193 local terms energy: -568.178985 where: bonds (distance) C4'-P energy: -108.786 bonds (distance) P-C4' energy: -115.477 flat angles C4'-P-C4' energy: -121.671 flat angles P-C4'-P energy: -82.291 tors. eta vs tors. theta energy: -139.955 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: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1421.662373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.662373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.662373 (E_RNA) where: Base-Base interactions energy: -947.268 where: short stacking energy: -428.420 Base-Backbone interact. energy: -1.060 local terms energy: -473.333971 where: bonds (distance) C4'-P energy: -96.724 bonds (distance) P-C4' energy: -100.626 flat angles C4'-P-C4' energy: -109.074 flat angles P-C4'-P energy: -70.159 tors. eta vs tors. theta energy: -96.753 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: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1370.914908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.914908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.914908 (E_RNA) where: Base-Base interactions energy: -901.893 where: short stacking energy: -381.853 Base-Backbone interact. energy: -2.559 local terms energy: -466.462954 where: bonds (distance) C4'-P energy: -108.215 bonds (distance) P-C4' energy: -110.020 flat angles C4'-P-C4' energy: -93.474 flat angles P-C4'-P energy: -69.617 tors. eta vs tors. theta energy: -85.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1173.893772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.893772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.893772 (E_RNA) where: Base-Base interactions energy: -731.972 where: short stacking energy: -351.856 Base-Backbone interact. energy: -2.519 local terms energy: -439.402878 where: bonds (distance) C4'-P energy: -82.714 bonds (distance) P-C4' energy: -99.604 flat angles C4'-P-C4' energy: -102.750 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: -80.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -954.571798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.571798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.571798 (E_RNA) where: Base-Base interactions energy: -571.596 where: short stacking energy: -279.233 Base-Backbone interact. energy: -1.938 local terms energy: -381.037682 where: bonds (distance) C4'-P energy: -85.339 bonds (distance) P-C4' energy: -95.238 flat angles C4'-P-C4' energy: -105.251 flat angles P-C4'-P energy: -55.458 tors. eta vs tors. theta energy: -39.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -803.064012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.064012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.064012 (E_RNA) where: Base-Base interactions energy: -453.024 where: short stacking energy: -260.891 Base-Backbone interact. energy: -0.195 local terms energy: -349.844096 where: bonds (distance) C4'-P energy: -79.019 bonds (distance) P-C4' energy: -84.056 flat angles C4'-P-C4' energy: -90.747 flat angles P-C4'-P energy: -70.936 tors. eta vs tors. theta energy: -25.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -736.128599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.128599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.128599 (E_RNA) where: Base-Base interactions energy: -409.951 where: short stacking energy: -188.083 Base-Backbone interact. energy: 6.622 local terms energy: -332.800156 where: bonds (distance) C4'-P energy: -70.718 bonds (distance) P-C4' energy: -104.344 flat angles C4'-P-C4' energy: -94.421 flat angles P-C4'-P energy: -51.492 tors. eta vs tors. theta energy: -11.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -564.271721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.271721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.271721 (E_RNA) where: Base-Base interactions energy: -271.267 where: short stacking energy: -182.290 Base-Backbone interact. energy: 1.133 local terms energy: -294.137974 where: bonds (distance) C4'-P energy: -95.296 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -33.622 tors. eta vs tors. theta energy: 0.556 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: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1796.888868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.888868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.888868 (E_RNA) where: Base-Base interactions energy: -1203.864 where: short stacking energy: -557.167 Base-Backbone interact. energy: -2.207 local terms energy: -590.817517 where: bonds (distance) C4'-P energy: -101.433 bonds (distance) P-C4' energy: -118.916 flat angles C4'-P-C4' energy: -125.025 flat angles P-C4'-P energy: -83.949 tors. eta vs tors. theta energy: -161.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1652.781113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.781113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.781113 (E_RNA) where: Base-Base interactions energy: -1104.247 where: short stacking energy: -473.504 Base-Backbone interact. energy: -5.136 local terms energy: -543.397821 where: bonds (distance) C4'-P energy: -110.839 bonds (distance) P-C4' energy: -108.133 flat angles C4'-P-C4' energy: -119.804 flat angles P-C4'-P energy: -77.315 tors. eta vs tors. theta energy: -127.307 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: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1491.770282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.770282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.770282 (E_RNA) where: Base-Base interactions energy: -964.716 where: short stacking energy: -464.164 Base-Backbone interact. energy: -2.886 local terms energy: -524.168411 where: bonds (distance) C4'-P energy: -111.175 bonds (distance) P-C4' energy: -91.716 flat angles C4'-P-C4' energy: -123.010 flat angles P-C4'-P energy: -76.112 tors. eta vs tors. theta energy: -122.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1426.899393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.899393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.899393 (E_RNA) where: Base-Base interactions energy: -930.384 where: short stacking energy: -418.537 Base-Backbone interact. energy: -1.372 local terms energy: -495.143929 where: bonds (distance) C4'-P energy: -108.374 bonds (distance) P-C4' energy: -104.580 flat angles C4'-P-C4' energy: -100.615 flat angles P-C4'-P energy: -73.234 tors. eta vs tors. theta energy: -108.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1428.256832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.256832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.256832 (E_RNA) where: Base-Base interactions energy: -927.011 where: short stacking energy: -423.207 Base-Backbone interact. energy: -1.794 local terms energy: -499.451798 where: bonds (distance) C4'-P energy: -96.137 bonds (distance) P-C4' energy: -112.086 flat angles C4'-P-C4' energy: -102.809 flat angles P-C4'-P energy: -70.818 tors. eta vs tors. theta energy: -117.602 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: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1170.160191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.160191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.160191 (E_RNA) where: Base-Base interactions energy: -722.111 where: short stacking energy: -327.796 Base-Backbone interact. energy: -2.133 local terms energy: -445.915684 where: bonds (distance) C4'-P energy: -102.104 bonds (distance) P-C4' energy: -104.870 flat angles C4'-P-C4' energy: -98.132 flat angles P-C4'-P energy: -62.019 tors. eta vs tors. theta energy: -78.791 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: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -933.281477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.281477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.281477 (E_RNA) where: Base-Base interactions energy: -580.594 where: short stacking energy: -270.453 Base-Backbone interact. energy: -0.141 local terms energy: -352.546689 where: bonds (distance) C4'-P energy: -101.548 bonds (distance) P-C4' energy: -87.037 flat angles C4'-P-C4' energy: -71.805 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -41.046 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: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -781.565442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.565442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.565442 (E_RNA) where: Base-Base interactions energy: -424.296 where: short stacking energy: -235.108 Base-Backbone interact. energy: -1.498 local terms energy: -355.770896 where: bonds (distance) C4'-P energy: -89.511 bonds (distance) P-C4' energy: -102.751 flat angles C4'-P-C4' energy: -70.353 flat angles P-C4'-P energy: -56.768 tors. eta vs tors. theta energy: -36.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -663.592466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.592466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.592466 (E_RNA) where: Base-Base interactions energy: -337.138 where: short stacking energy: -182.118 Base-Backbone interact. energy: -1.004 local terms energy: -325.450332 where: bonds (distance) C4'-P energy: -88.703 bonds (distance) P-C4' energy: -94.330 flat angles C4'-P-C4' energy: -92.648 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: -0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -600.620911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.620911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.620911 (E_RNA) where: Base-Base interactions energy: -282.471 where: short stacking energy: -169.760 Base-Backbone interact. energy: -0.487 local terms energy: -317.663218 where: bonds (distance) C4'-P energy: -102.918 bonds (distance) P-C4' energy: -92.166 flat angles C4'-P-C4' energy: -58.875 flat angles P-C4'-P energy: -53.902 tors. eta vs tors. theta energy: -9.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1787.289643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.289643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.289643 (E_RNA) where: Base-Base interactions energy: -1222.814 where: short stacking energy: -547.663 Base-Backbone interact. energy: -2.960 local terms energy: -561.515221 where: bonds (distance) C4'-P energy: -104.652 bonds (distance) P-C4' energy: -113.518 flat angles C4'-P-C4' energy: -118.540 flat angles P-C4'-P energy: -64.313 tors. eta vs tors. theta energy: -160.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1671.210005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.210005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.210005 (E_RNA) where: Base-Base interactions energy: -1115.361 where: short stacking energy: -485.866 Base-Backbone interact. energy: -3.321 local terms energy: -552.528755 where: bonds (distance) C4'-P energy: -107.657 bonds (distance) P-C4' energy: -110.342 flat angles C4'-P-C4' energy: -117.660 flat angles P-C4'-P energy: -76.997 tors. eta vs tors. theta energy: -139.873 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: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1486.578659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.578659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.578659 (E_RNA) where: Base-Base interactions energy: -1004.979 where: short stacking energy: -449.627 Base-Backbone interact. energy: -1.317 local terms energy: -480.282192 where: bonds (distance) C4'-P energy: -92.176 bonds (distance) P-C4' energy: -118.244 flat angles C4'-P-C4' energy: -104.243 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -109.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1483.709840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.709840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.709840 (E_RNA) where: Base-Base interactions energy: -965.093 where: short stacking energy: -437.061 Base-Backbone interact. energy: -2.648 local terms energy: -515.969218 where: bonds (distance) C4'-P energy: -103.951 bonds (distance) P-C4' energy: -104.047 flat angles C4'-P-C4' energy: -113.264 flat angles P-C4'-P energy: -82.040 tors. eta vs tors. theta energy: -112.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1348.872586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.872586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.872586 (E_RNA) where: Base-Base interactions energy: -873.507 where: short stacking energy: -380.713 Base-Backbone interact. energy: -2.625 local terms energy: -472.740393 where: bonds (distance) C4'-P energy: -95.232 bonds (distance) P-C4' energy: -99.426 flat angles C4'-P-C4' energy: -99.062 flat angles P-C4'-P energy: -74.484 tors. eta vs tors. theta energy: -104.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1165.561930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.561930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.561930 (E_RNA) where: Base-Base interactions energy: -708.367 where: short stacking energy: -339.096 Base-Backbone interact. energy: -0.868 local terms energy: -456.327644 where: bonds (distance) C4'-P energy: -93.384 bonds (distance) P-C4' energy: -120.346 flat angles C4'-P-C4' energy: -111.536 flat angles P-C4'-P energy: -60.420 tors. eta vs tors. theta energy: -70.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -984.640221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.640221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.640221 (E_RNA) where: Base-Base interactions energy: -607.051 where: short stacking energy: -278.914 Base-Backbone interact. energy: 0.945 local terms energy: -378.533961 where: bonds (distance) C4'-P energy: -92.418 bonds (distance) P-C4' energy: -99.614 flat angles C4'-P-C4' energy: -95.220 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -32.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -787.052797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.052797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.052797 (E_RNA) where: Base-Base interactions energy: -451.068 where: short stacking energy: -240.692 Base-Backbone interact. energy: 1.855 local terms energy: -337.840149 where: bonds (distance) C4'-P energy: -84.591 bonds (distance) P-C4' energy: -100.055 flat angles C4'-P-C4' energy: -86.498 flat angles P-C4'-P energy: -47.150 tors. eta vs tors. theta energy: -19.547 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: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -590.252589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.252589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.252589 (E_RNA) where: Base-Base interactions energy: -289.972 where: short stacking energy: -162.878 Base-Backbone interact. energy: -0.982 local terms energy: -299.298462 where: bonds (distance) C4'-P energy: -93.701 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -74.378 flat angles P-C4'-P energy: -51.095 tors. eta vs tors. theta energy: 18.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -620.097745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.097745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.097745 (E_RNA) where: Base-Base interactions energy: -320.376 where: short stacking energy: -174.122 Base-Backbone interact. energy: 1.892 local terms energy: -301.613462 where: bonds (distance) C4'-P energy: -88.091 bonds (distance) P-C4' energy: -91.038 flat angles C4'-P-C4' energy: -74.819 flat angles P-C4'-P energy: -42.219 tors. eta vs tors. theta energy: -5.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1790.765995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.765995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.765995 (E_RNA) where: Base-Base interactions energy: -1215.266 where: short stacking energy: -540.267 Base-Backbone interact. energy: -4.923 local terms energy: -570.576874 where: bonds (distance) C4'-P energy: -105.467 bonds (distance) P-C4' energy: -104.444 flat angles C4'-P-C4' energy: -113.763 flat angles P-C4'-P energy: -84.646 tors. eta vs tors. theta energy: -162.257 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: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1671.574549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.574549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.574549 (E_RNA) where: Base-Base interactions energy: -1118.147 where: short stacking energy: -489.703 Base-Backbone interact. energy: -2.723 local terms energy: -550.703873 where: bonds (distance) C4'-P energy: -107.587 bonds (distance) P-C4' energy: -109.165 flat angles C4'-P-C4' energy: -117.250 flat angles P-C4'-P energy: -78.303 tors. eta vs tors. theta energy: -138.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1491.349210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.349210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.349210 (E_RNA) where: Base-Base interactions energy: -981.445 where: short stacking energy: -443.766 Base-Backbone interact. energy: -1.050 local terms energy: -508.853977 where: bonds (distance) C4'-P energy: -105.282 bonds (distance) P-C4' energy: -119.222 flat angles C4'-P-C4' energy: -100.738 flat angles P-C4'-P energy: -65.872 tors. eta vs tors. theta energy: -117.741 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: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1493.735939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.735939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.735939 (E_RNA) where: Base-Base interactions energy: -981.544 where: short stacking energy: -447.343 Base-Backbone interact. energy: -5.025 local terms energy: -507.167370 where: bonds (distance) C4'-P energy: -96.797 bonds (distance) P-C4' energy: -102.729 flat angles C4'-P-C4' energy: -101.152 flat angles P-C4'-P energy: -75.238 tors. eta vs tors. theta energy: -131.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1395.165730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.165730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.165730 (E_RNA) where: Base-Base interactions energy: -917.548 where: short stacking energy: -428.911 Base-Backbone interact. energy: -2.109 local terms energy: -475.508964 where: bonds (distance) C4'-P energy: -88.477 bonds (distance) P-C4' energy: -91.985 flat angles C4'-P-C4' energy: -114.596 flat angles P-C4'-P energy: -78.800 tors. eta vs tors. theta energy: -101.651 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: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1153.378878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.378878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.378878 (E_RNA) where: Base-Base interactions energy: -726.651 where: short stacking energy: -354.935 Base-Backbone interact. energy: 2.417 local terms energy: -429.144282 where: bonds (distance) C4'-P energy: -85.203 bonds (distance) P-C4' energy: -107.060 flat angles C4'-P-C4' energy: -99.451 flat angles P-C4'-P energy: -61.745 tors. eta vs tors. theta energy: -75.686 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: -1002.278322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.278322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.278322 (E_RNA) where: Base-Base interactions energy: -600.485 where: short stacking energy: -292.679 Base-Backbone interact. energy: -1.063 local terms energy: -400.729983 where: bonds (distance) C4'-P energy: -103.255 bonds (distance) P-C4' energy: -99.151 flat angles C4'-P-C4' energy: -87.776 flat angles P-C4'-P energy: -43.572 tors. eta vs tors. theta energy: -66.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -769.371717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.371717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.371717 (E_RNA) where: Base-Base interactions energy: -426.759 where: short stacking energy: -234.799 Base-Backbone interact. energy: 2.378 local terms energy: -344.991261 where: bonds (distance) C4'-P energy: -82.464 bonds (distance) P-C4' energy: -90.134 flat angles C4'-P-C4' energy: -85.819 flat angles P-C4'-P energy: -53.121 tors. eta vs tors. theta energy: -33.453 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: 173 Temperature: 1.300000 Total energy: -588.553127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.553127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.553127 (E_RNA) where: Base-Base interactions energy: -282.399 where: short stacking energy: -156.206 Base-Backbone interact. energy: 4.718 local terms energy: -310.872007 where: bonds (distance) C4'-P energy: -89.725 bonds (distance) P-C4' energy: -100.151 flat angles C4'-P-C4' energy: -74.734 flat angles P-C4'-P energy: -54.595 tors. eta vs tors. theta energy: 8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -616.364763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.364763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.364763 (E_RNA) where: Base-Base interactions energy: -307.903 where: short stacking energy: -178.281 Base-Backbone interact. energy: -0.919 local terms energy: -307.543030 where: bonds (distance) C4'-P energy: -78.622 bonds (distance) P-C4' energy: -102.564 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -47.648 tors. eta vs tors. theta energy: -6.950 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: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1791.563191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.563191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.563191 (E_RNA) where: Base-Base interactions energy: -1206.603 where: short stacking energy: -544.261 Base-Backbone interact. energy: -2.306 local terms energy: -582.654566 where: bonds (distance) C4'-P energy: -102.510 bonds (distance) P-C4' energy: -100.309 flat angles C4'-P-C4' energy: -133.084 flat angles P-C4'-P energy: -86.115 tors. eta vs tors. theta energy: -160.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1651.040693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.040693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.040693 (E_RNA) where: Base-Base interactions energy: -1102.028 where: short stacking energy: -517.842 Base-Backbone interact. energy: -4.884 local terms energy: -544.128567 where: bonds (distance) C4'-P energy: -107.690 bonds (distance) P-C4' energy: -105.812 flat angles C4'-P-C4' energy: -118.747 flat angles P-C4'-P energy: -73.109 tors. eta vs tors. theta energy: -138.771 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: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1529.418135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.418135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.418135 (E_RNA) where: Base-Base interactions energy: -1000.180 where: short stacking energy: -468.065 Base-Backbone interact. energy: -2.527 local terms energy: -526.711217 where: bonds (distance) C4'-P energy: -96.895 bonds (distance) P-C4' energy: -103.028 flat angles C4'-P-C4' energy: -112.256 flat angles P-C4'-P energy: -75.862 tors. eta vs tors. theta energy: -138.669 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: 5 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1432.017160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.017160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.017160 (E_RNA) where: Base-Base interactions energy: -927.613 where: short stacking energy: -414.420 Base-Backbone interact. energy: -3.856 local terms energy: -500.548292 where: bonds (distance) C4'-P energy: -89.539 bonds (distance) P-C4' energy: -114.476 flat angles C4'-P-C4' energy: -115.973 flat angles P-C4'-P energy: -75.273 tors. eta vs tors. theta energy: -105.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1372.888302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.888302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.888302 (E_RNA) where: Base-Base interactions energy: -909.567 where: short stacking energy: -399.299 Base-Backbone interact. energy: 2.106 local terms energy: -465.426476 where: bonds (distance) C4'-P energy: -104.228 bonds (distance) P-C4' energy: -90.546 flat angles C4'-P-C4' energy: -107.589 flat angles P-C4'-P energy: -70.142 tors. eta vs tors. theta energy: -92.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1135.901457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.901457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.901457 (E_RNA) where: Base-Base interactions energy: -710.064 where: short stacking energy: -333.149 Base-Backbone interact. energy: -0.204 local terms energy: -425.633185 where: bonds (distance) C4'-P energy: -98.059 bonds (distance) P-C4' energy: -107.219 flat angles C4'-P-C4' energy: -95.709 flat angles P-C4'-P energy: -57.991 tors. eta vs tors. theta energy: -66.656 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: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -970.369810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.369810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.369810 (E_RNA) where: Base-Base interactions energy: -574.953 where: short stacking energy: -287.340 Base-Backbone interact. energy: -2.042 local terms energy: -393.374664 where: bonds (distance) C4'-P energy: -81.808 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -99.616 flat angles P-C4'-P energy: -57.003 tors. eta vs tors. theta energy: -57.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -775.032634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.032634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.032634 (E_RNA) where: Base-Base interactions energy: -436.413 where: short stacking energy: -246.236 Base-Backbone interact. energy: 0.418 local terms energy: -339.037441 where: bonds (distance) C4'-P energy: -89.540 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -95.566 flat angles P-C4'-P energy: -33.747 tors. eta vs tors. theta energy: -26.605 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: 174 Temperature: 1.300000 Total energy: -583.865612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.865612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.865612 (E_RNA) where: Base-Base interactions energy: -259.395 where: short stacking energy: -152.733 Base-Backbone interact. energy: -0.724 local terms energy: -323.747450 where: bonds (distance) C4'-P energy: -97.396 bonds (distance) P-C4' energy: -91.227 flat angles C4'-P-C4' energy: -62.744 flat angles P-C4'-P energy: -71.750 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -495.433980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.433980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.433980 (E_RNA) where: Base-Base interactions energy: -190.156 where: short stacking energy: -98.243 Base-Backbone interact. energy: -2.628 local terms energy: -302.650167 where: bonds (distance) C4'-P energy: -89.882 bonds (distance) P-C4' energy: -97.349 flat angles C4'-P-C4' energy: -83.407 flat angles P-C4'-P energy: -49.510 tors. eta vs tors. theta energy: 17.497 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: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1778.168926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.168926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.168926 (E_RNA) where: Base-Base interactions energy: -1194.960 where: short stacking energy: -531.425 Base-Backbone interact. energy: -1.652 local terms energy: -581.556929 where: bonds (distance) C4'-P energy: -116.941 bonds (distance) P-C4' energy: -111.111 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -84.055 tors. eta vs tors. theta energy: -161.714 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: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1658.383434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.383434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.383434 (E_RNA) where: Base-Base interactions energy: -1119.040 where: short stacking energy: -526.029 Base-Backbone interact. energy: -2.103 local terms energy: -537.239970 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -105.188 flat angles C4'-P-C4' energy: -116.180 flat angles P-C4'-P energy: -78.601 tors. eta vs tors. theta energy: -137.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1568.711525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.711525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.711525 (E_RNA) where: Base-Base interactions energy: -1060.806 where: short stacking energy: -473.123 Base-Backbone interact. energy: 0.064 local terms energy: -507.969251 where: bonds (distance) C4'-P energy: -112.570 bonds (distance) P-C4' energy: -89.682 flat angles C4'-P-C4' energy: -112.740 flat angles P-C4'-P energy: -56.817 tors. eta vs tors. theta energy: -136.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1432.496138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.496138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.496138 (E_RNA) where: Base-Base interactions energy: -949.734 where: short stacking energy: -415.286 Base-Backbone interact. energy: -3.578 local terms energy: -479.183275 where: bonds (distance) C4'-P energy: -102.142 bonds (distance) P-C4' energy: -89.796 flat angles C4'-P-C4' energy: -109.247 flat angles P-C4'-P energy: -62.572 tors. eta vs tors. theta energy: -115.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1408.239988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.239988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.239988 (E_RNA) where: Base-Base interactions energy: -920.496 where: short stacking energy: -417.352 Base-Backbone interact. energy: -2.035 local terms energy: -485.709240 where: bonds (distance) C4'-P energy: -94.412 bonds (distance) P-C4' energy: -100.252 flat angles C4'-P-C4' energy: -109.783 flat angles P-C4'-P energy: -73.519 tors. eta vs tors. theta energy: -107.743 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: 175 Temperature: 1.150000 Total energy: -1214.055631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.055631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.055631 (E_RNA) where: Base-Base interactions energy: -785.352 where: short stacking energy: -388.584 Base-Backbone interact. energy: -2.451 local terms energy: -426.252945 where: bonds (distance) C4'-P energy: -92.022 bonds (distance) P-C4' energy: -110.388 flat angles C4'-P-C4' energy: -85.579 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -94.104 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: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -942.413512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.413512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.413512 (E_RNA) where: Base-Base interactions energy: -558.913 where: short stacking energy: -280.832 Base-Backbone interact. energy: -0.665 local terms energy: -382.835331 where: bonds (distance) C4'-P energy: -84.925 bonds (distance) P-C4' energy: -103.396 flat angles C4'-P-C4' energy: -101.997 flat angles P-C4'-P energy: -45.656 tors. eta vs tors. theta energy: -46.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -800.894892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.894892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.894892 (E_RNA) where: Base-Base interactions energy: -440.731 where: short stacking energy: -252.724 Base-Backbone interact. energy: 0.857 local terms energy: -361.020357 where: bonds (distance) C4'-P energy: -76.644 bonds (distance) P-C4' energy: -102.911 flat angles C4'-P-C4' energy: -88.156 flat angles P-C4'-P energy: -54.975 tors. eta vs tors. theta energy: -38.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -632.833925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.833925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.833925 (E_RNA) where: Base-Base interactions energy: -296.731 where: short stacking energy: -186.486 Base-Backbone interact. energy: -1.009 local terms energy: -335.094212 where: bonds (distance) C4'-P energy: -95.531 bonds (distance) P-C4' energy: -95.158 flat angles C4'-P-C4' energy: -82.302 flat angles P-C4'-P energy: -39.318 tors. eta vs tors. theta energy: -22.785 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: 175 Temperature: 1.350000 Total energy: -500.223420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.223420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.223420 (E_RNA) where: Base-Base interactions energy: -229.667 where: short stacking energy: -145.058 Base-Backbone interact. energy: 1.636 local terms energy: -272.192078 where: bonds (distance) C4'-P energy: -87.110 bonds (distance) P-C4' energy: -82.252 flat angles C4'-P-C4' energy: -71.915 flat angles P-C4'-P energy: -44.944 tors. eta vs tors. theta energy: 14.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1770.525504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.525504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.525504 (E_RNA) where: Base-Base interactions energy: -1201.072 where: short stacking energy: -525.782 Base-Backbone interact. energy: -4.880 local terms energy: -564.573903 where: bonds (distance) C4'-P energy: -98.113 bonds (distance) P-C4' energy: -105.928 flat angles C4'-P-C4' energy: -120.299 flat angles P-C4'-P energy: -82.649 tors. eta vs tors. theta energy: -157.585 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: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1656.889298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.889298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.889298 (E_RNA) where: Base-Base interactions energy: -1099.650 where: short stacking energy: -496.987 Base-Backbone interact. energy: -5.053 local terms energy: -552.185883 where: bonds (distance) C4'-P energy: -106.053 bonds (distance) P-C4' energy: -106.559 flat angles C4'-P-C4' energy: -124.646 flat angles P-C4'-P energy: -78.597 tors. eta vs tors. theta energy: -136.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1566.305622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.305622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.305622 (E_RNA) where: Base-Base interactions energy: -1042.995 where: short stacking energy: -474.635 Base-Backbone interact. energy: -2.421 local terms energy: -520.889509 where: bonds (distance) C4'-P energy: -96.845 bonds (distance) P-C4' energy: -99.550 flat angles C4'-P-C4' energy: -115.720 flat angles P-C4'-P energy: -72.985 tors. eta vs tors. theta energy: -135.790 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: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1410.501206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.501206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.501206 (E_RNA) where: Base-Base interactions energy: -916.584 where: short stacking energy: -396.167 Base-Backbone interact. energy: 1.209 local terms energy: -495.125658 where: bonds (distance) C4'-P energy: -106.222 bonds (distance) P-C4' energy: -111.195 flat angles C4'-P-C4' energy: -100.365 flat angles P-C4'-P energy: -71.537 tors. eta vs tors. theta energy: -105.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1366.399156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.399156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.399156 (E_RNA) where: Base-Base interactions energy: -886.802 where: short stacking energy: -424.954 Base-Backbone interact. energy: -2.905 local terms energy: -476.691995 where: bonds (distance) C4'-P energy: -98.280 bonds (distance) P-C4' energy: -90.632 flat angles C4'-P-C4' energy: -105.888 flat angles P-C4'-P energy: -63.801 tors. eta vs tors. theta energy: -118.090 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: 176 Temperature: 1.150000 Total energy: -1219.943294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.943294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.943294 (E_RNA) where: Base-Base interactions energy: -789.532 where: short stacking energy: -350.055 Base-Backbone interact. energy: -4.033 local terms energy: -426.377587 where: bonds (distance) C4'-P energy: -104.528 bonds (distance) P-C4' energy: -99.810 flat angles C4'-P-C4' energy: -81.326 flat angles P-C4'-P energy: -67.774 tors. eta vs tors. theta energy: -72.939 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: 176 Temperature: 1.200000 Total energy: -953.906869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.906869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.906869 (E_RNA) where: Base-Base interactions energy: -564.817 where: short stacking energy: -274.016 Base-Backbone interact. energy: -0.937 local terms energy: -388.152159 where: bonds (distance) C4'-P energy: -85.935 bonds (distance) P-C4' energy: -100.573 flat angles C4'-P-C4' energy: -88.368 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: -51.814 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: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -812.992044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.992044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.992044 (E_RNA) where: Base-Base interactions energy: -478.216 where: short stacking energy: -251.687 Base-Backbone interact. energy: 0.847 local terms energy: -335.623582 where: bonds (distance) C4'-P energy: -78.181 bonds (distance) P-C4' energy: -88.199 flat angles C4'-P-C4' energy: -85.471 flat angles P-C4'-P energy: -52.910 tors. eta vs tors. theta energy: -30.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -540.207671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.207671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.207671 (E_RNA) where: Base-Base interactions energy: -217.395 where: short stacking energy: -151.199 Base-Backbone interact. energy: -1.634 local terms energy: -321.178405 where: bonds (distance) C4'-P energy: -87.170 bonds (distance) P-C4' energy: -94.552 flat angles C4'-P-C4' energy: -96.397 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: 6.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -566.328417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.328417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.328417 (E_RNA) where: Base-Base interactions energy: -282.187 where: short stacking energy: -163.771 Base-Backbone interact. energy: -1.781 local terms energy: -282.360762 where: bonds (distance) C4'-P energy: -79.670 bonds (distance) P-C4' energy: -94.070 flat angles C4'-P-C4' energy: -86.096 flat angles P-C4'-P energy: -25.381 tors. eta vs tors. theta energy: 2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1802.766827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.766827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.766827 (E_RNA) where: Base-Base interactions energy: -1212.840 where: short stacking energy: -544.069 Base-Backbone interact. energy: -3.334 local terms energy: -586.592339 where: bonds (distance) C4'-P energy: -104.193 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -128.037 flat angles P-C4'-P energy: -82.441 tors. eta vs tors. theta energy: -159.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1632.604607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.604607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.604607 (E_RNA) where: Base-Base interactions energy: -1083.250 where: short stacking energy: -513.094 Base-Backbone interact. energy: -6.247 local terms energy: -543.107252 where: bonds (distance) C4'-P energy: -103.743 bonds (distance) P-C4' energy: -98.566 flat angles C4'-P-C4' energy: -123.270 flat angles P-C4'-P energy: -74.270 tors. eta vs tors. theta energy: -143.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1549.784718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.784718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.784718 (E_RNA) where: Base-Base interactions energy: -1016.782 where: short stacking energy: -452.525 Base-Backbone interact. energy: -4.181 local terms energy: -528.821958 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -109.100 flat angles C4'-P-C4' energy: -127.062 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: -133.191 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: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1416.737938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.737938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.737938 (E_RNA) where: Base-Base interactions energy: -905.743 where: short stacking energy: -408.272 Base-Backbone interact. energy: -2.863 local terms energy: -508.132182 where: bonds (distance) C4'-P energy: -83.625 bonds (distance) P-C4' energy: -113.509 flat angles C4'-P-C4' energy: -114.566 flat angles P-C4'-P energy: -88.721 tors. eta vs tors. theta energy: -107.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1380.710627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.710627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.710627 (E_RNA) where: Base-Base interactions energy: -892.691 where: short stacking energy: -400.338 Base-Backbone interact. energy: 0.971 local terms energy: -488.990518 where: bonds (distance) C4'-P energy: -102.553 bonds (distance) P-C4' energy: -101.183 flat angles C4'-P-C4' energy: -111.021 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -106.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1184.990864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.990864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.990864 (E_RNA) where: Base-Base interactions energy: -746.520 where: short stacking energy: -330.714 Base-Backbone interact. energy: -4.966 local terms energy: -433.504351 where: bonds (distance) C4'-P energy: -97.599 bonds (distance) P-C4' energy: -94.785 flat angles C4'-P-C4' energy: -91.853 flat angles P-C4'-P energy: -70.195 tors. eta vs tors. theta energy: -79.073 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: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -970.447569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.447569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.447569 (E_RNA) where: Base-Base interactions energy: -577.425 where: short stacking energy: -275.544 Base-Backbone interact. energy: -1.497 local terms energy: -391.524993 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -99.445 flat angles C4'-P-C4' energy: -91.464 flat angles P-C4'-P energy: -57.917 tors. eta vs tors. theta energy: -51.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -810.455650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.455650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.455650 (E_RNA) where: Base-Base interactions energy: -455.433 where: short stacking energy: -222.535 Base-Backbone interact. energy: 0.775 local terms energy: -355.796978 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -90.327 flat angles C4'-P-C4' energy: -92.716 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -31.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -559.630856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.630856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.630856 (E_RNA) where: Base-Base interactions energy: -282.472 where: short stacking energy: -189.285 Base-Backbone interact. energy: 6.000 local terms energy: -283.158637 where: bonds (distance) C4'-P energy: -73.666 bonds (distance) P-C4' energy: -96.793 flat angles C4'-P-C4' energy: -76.905 flat angles P-C4'-P energy: -29.772 tors. eta vs tors. theta energy: -6.022 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: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -586.689228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.689228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.689228 (E_RNA) where: Base-Base interactions energy: -277.365 where: short stacking energy: -168.974 Base-Backbone interact. energy: 5.201 local terms energy: -314.524741 where: bonds (distance) C4'-P energy: -85.521 bonds (distance) P-C4' energy: -91.865 flat angles C4'-P-C4' energy: -81.702 flat angles P-C4'-P energy: -49.437 tors. eta vs tors. theta energy: -6.000 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: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1802.559871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.559871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.559871 (E_RNA) where: Base-Base interactions energy: -1215.645 where: short stacking energy: -537.013 Base-Backbone interact. energy: -6.256 local terms energy: -580.658700 where: bonds (distance) C4'-P energy: -98.993 bonds (distance) P-C4' energy: -115.272 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -90.516 tors. eta vs tors. theta energy: -153.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1621.132870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.132870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.132870 (E_RNA) where: Base-Base interactions energy: -1069.522 where: short stacking energy: -477.138 Base-Backbone interact. energy: 0.697 local terms energy: -552.307964 where: bonds (distance) C4'-P energy: -109.942 bonds (distance) P-C4' energy: -115.810 flat angles C4'-P-C4' energy: -122.052 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -133.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1541.345895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.345895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.345895 (E_RNA) where: Base-Base interactions energy: -1023.292 where: short stacking energy: -485.809 Base-Backbone interact. energy: -0.719 local terms energy: -517.334854 where: bonds (distance) C4'-P energy: -94.330 bonds (distance) P-C4' energy: -99.573 flat angles C4'-P-C4' energy: -113.195 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -138.391 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: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1412.831701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.831701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.831701 (E_RNA) where: Base-Base interactions energy: -942.747 where: short stacking energy: -429.029 Base-Backbone interact. energy: -2.338 local terms energy: -467.746640 where: bonds (distance) C4'-P energy: -111.144 bonds (distance) P-C4' energy: -103.018 flat angles C4'-P-C4' energy: -107.099 flat angles P-C4'-P energy: -45.026 tors. eta vs tors. theta energy: -101.459 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: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1347.343562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.343562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.343562 (E_RNA) where: Base-Base interactions energy: -883.930 where: short stacking energy: -395.189 Base-Backbone interact. energy: -2.206 local terms energy: -461.207518 where: bonds (distance) C4'-P energy: -99.985 bonds (distance) P-C4' energy: -96.493 flat angles C4'-P-C4' energy: -106.865 flat angles P-C4'-P energy: -64.780 tors. eta vs tors. theta energy: -93.085 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: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1223.771662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.771662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.771662 (E_RNA) where: Base-Base interactions energy: -796.297 where: short stacking energy: -385.591 Base-Backbone interact. energy: -3.314 local terms energy: -424.160366 where: bonds (distance) C4'-P energy: -94.082 bonds (distance) P-C4' energy: -87.756 flat angles C4'-P-C4' energy: -96.147 flat angles P-C4'-P energy: -60.805 tors. eta vs tors. theta energy: -85.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -984.467105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.467105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.467105 (E_RNA) where: Base-Base interactions energy: -584.501 where: short stacking energy: -286.834 Base-Backbone interact. energy: -2.857 local terms energy: -397.109271 where: bonds (distance) C4'-P energy: -78.659 bonds (distance) P-C4' energy: -92.988 flat angles C4'-P-C4' energy: -94.592 flat angles P-C4'-P energy: -68.611 tors. eta vs tors. theta energy: -62.259 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: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -825.629751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.629751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.629751 (E_RNA) where: Base-Base interactions energy: -457.456 where: short stacking energy: -252.001 Base-Backbone interact. energy: -3.581 local terms energy: -364.592818 where: bonds (distance) C4'-P energy: -76.560 bonds (distance) P-C4' energy: -92.532 flat angles C4'-P-C4' energy: -91.906 flat angles P-C4'-P energy: -65.003 tors. eta vs tors. theta energy: -38.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -613.671816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.671816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.671816 (E_RNA) where: Base-Base interactions energy: -300.993 where: short stacking energy: -176.707 Base-Backbone interact. energy: -2.163 local terms energy: -310.515013 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -88.825 flat angles C4'-P-C4' energy: -64.372 flat angles P-C4'-P energy: -47.757 tors. eta vs tors. theta energy: -13.895 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: 178 Temperature: 1.350000 Total energy: -546.371820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.371820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.371820 (E_RNA) where: Base-Base interactions energy: -269.709 where: short stacking energy: -146.048 Base-Backbone interact. energy: 2.200 local terms energy: -278.862246 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -81.385 flat angles C4'-P-C4' energy: -95.124 flat angles P-C4'-P energy: -46.479 tors. eta vs tors. theta energy: 9.349 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: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1776.491691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.491691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.491691 (E_RNA) where: Base-Base interactions energy: -1185.112 where: short stacking energy: -557.942 Base-Backbone interact. energy: -2.469 local terms energy: -588.910407 where: bonds (distance) C4'-P energy: -109.952 bonds (distance) P-C4' energy: -108.894 flat angles C4'-P-C4' energy: -122.962 flat angles P-C4'-P energy: -81.303 tors. eta vs tors. theta energy: -165.798 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: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1609.647299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.647299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.647299 (E_RNA) where: Base-Base interactions energy: -1044.647 where: short stacking energy: -507.761 Base-Backbone interact. energy: -2.727 local terms energy: -562.273297 where: bonds (distance) C4'-P energy: -98.604 bonds (distance) P-C4' energy: -114.454 flat angles C4'-P-C4' energy: -127.361 flat angles P-C4'-P energy: -79.549 tors. eta vs tors. theta energy: -142.305 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: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1566.912543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.912543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.912543 (E_RNA) where: Base-Base interactions energy: -1068.365 where: short stacking energy: -475.981 Base-Backbone interact. energy: -2.501 local terms energy: -496.046250 where: bonds (distance) C4'-P energy: -91.498 bonds (distance) P-C4' energy: -99.249 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -69.383 tors. eta vs tors. theta energy: -124.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1401.495899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.495899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.495899 (E_RNA) where: Base-Base interactions energy: -915.374 where: short stacking energy: -405.667 Base-Backbone interact. energy: -2.070 local terms energy: -484.051523 where: bonds (distance) C4'-P energy: -88.655 bonds (distance) P-C4' energy: -114.865 flat angles C4'-P-C4' energy: -104.887 flat angles P-C4'-P energy: -72.175 tors. eta vs tors. theta energy: -103.470 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: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1323.787811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.787811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.787811 (E_RNA) where: Base-Base interactions energy: -877.611 where: short stacking energy: -352.373 Base-Backbone interact. energy: -1.916 local terms energy: -444.260705 where: bonds (distance) C4'-P energy: -93.311 bonds (distance) P-C4' energy: -99.283 flat angles C4'-P-C4' energy: -103.334 flat angles P-C4'-P energy: -59.306 tors. eta vs tors. theta energy: -89.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1213.921620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.921620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.921620 (E_RNA) where: Base-Base interactions energy: -768.460 where: short stacking energy: -365.370 Base-Backbone interact. energy: -3.452 local terms energy: -442.009688 where: bonds (distance) C4'-P energy: -103.885 bonds (distance) P-C4' energy: -93.243 flat angles C4'-P-C4' energy: -111.467 flat angles P-C4'-P energy: -57.481 tors. eta vs tors. theta energy: -75.934 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: 179 Temperature: 1.200000 Total energy: -968.171136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.171136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.171136 (E_RNA) where: Base-Base interactions energy: -620.618 where: short stacking energy: -287.954 Base-Backbone interact. energy: -0.959 local terms energy: -346.593519 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -83.993 flat angles C4'-P-C4' energy: -71.303 flat angles P-C4'-P energy: -58.501 tors. eta vs tors. theta energy: -44.098 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: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -802.638127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.638127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.638127 (E_RNA) where: Base-Base interactions energy: -448.617 where: short stacking energy: -256.191 Base-Backbone interact. energy: 4.335 local terms energy: -358.355439 where: bonds (distance) C4'-P energy: -91.401 bonds (distance) P-C4' energy: -90.405 flat angles C4'-P-C4' energy: -94.883 flat angles P-C4'-P energy: -42.118 tors. eta vs tors. theta energy: -39.548 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: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -636.091578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.091578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.091578 (E_RNA) where: Base-Base interactions energy: -316.055 where: short stacking energy: -168.954 Base-Backbone interact. energy: 7.125 local terms energy: -327.161744 where: bonds (distance) C4'-P energy: -90.252 bonds (distance) P-C4' energy: -109.606 flat angles C4'-P-C4' energy: -86.639 flat angles P-C4'-P energy: -27.501 tors. eta vs tors. theta energy: -13.163 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: 179 Temperature: 1.350000 Total energy: -498.427936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.427936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.427936 (E_RNA) where: Base-Base interactions energy: -198.352 where: short stacking energy: -133.379 Base-Backbone interact. energy: -1.491 local terms energy: -298.585519 where: bonds (distance) C4'-P energy: -81.878 bonds (distance) P-C4' energy: -84.477 flat angles C4'-P-C4' energy: -74.808 flat angles P-C4'-P energy: -62.124 tors. eta vs tors. theta energy: 4.702 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: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1806.462204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.462204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.462204 (E_RNA) where: Base-Base interactions energy: -1209.809 where: short stacking energy: -552.768 Base-Backbone interact. energy: -4.658 local terms energy: -591.995426 where: bonds (distance) C4'-P energy: -104.081 bonds (distance) P-C4' energy: -113.853 flat angles C4'-P-C4' energy: -121.101 flat angles P-C4'-P energy: -87.676 tors. eta vs tors. theta energy: -165.285 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: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1626.045669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.045669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.045669 (E_RNA) where: Base-Base interactions energy: -1063.606 where: short stacking energy: -522.525 Base-Backbone interact. energy: -2.151 local terms energy: -560.288405 where: bonds (distance) C4'-P energy: -100.361 bonds (distance) P-C4' energy: -110.607 flat angles C4'-P-C4' energy: -124.759 flat angles P-C4'-P energy: -72.748 tors. eta vs tors. theta energy: -151.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1588.025442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.025442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.025442 (E_RNA) where: Base-Base interactions energy: -1063.522 where: short stacking energy: -443.423 Base-Backbone interact. energy: -4.435 local terms energy: -520.067698 where: bonds (distance) C4'-P energy: -101.716 bonds (distance) P-C4' energy: -96.759 flat angles C4'-P-C4' energy: -125.171 flat angles P-C4'-P energy: -76.518 tors. eta vs tors. theta energy: -119.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1487.086772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.086772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.086772 (E_RNA) where: Base-Base interactions energy: -963.157 where: short stacking energy: -444.320 Base-Backbone interact. energy: -5.713 local terms energy: -518.216874 where: bonds (distance) C4'-P energy: -111.359 bonds (distance) P-C4' energy: -93.437 flat angles C4'-P-C4' energy: -125.601 flat angles P-C4'-P energy: -71.507 tors. eta vs tors. theta energy: -116.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1303.937190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.937190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.937190 (E_RNA) where: Base-Base interactions energy: -838.549 where: short stacking energy: -370.791 Base-Backbone interact. energy: -0.888 local terms energy: -464.500213 where: bonds (distance) C4'-P energy: -104.033 bonds (distance) P-C4' energy: -110.105 flat angles C4'-P-C4' energy: -99.923 flat angles P-C4'-P energy: -69.113 tors. eta vs tors. theta energy: -81.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1246.600127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.600127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.600127 (E_RNA) where: Base-Base interactions energy: -811.225 where: short stacking energy: -363.713 Base-Backbone interact. energy: 0.172 local terms energy: -435.547497 where: bonds (distance) C4'-P energy: -102.662 bonds (distance) P-C4' energy: -95.869 flat angles C4'-P-C4' energy: -81.838 flat angles P-C4'-P energy: -67.979 tors. eta vs tors. theta energy: -87.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -963.982318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.982318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.982318 (E_RNA) where: Base-Base interactions energy: -556.848 where: short stacking energy: -281.944 Base-Backbone interact. energy: -2.439 local terms energy: -404.695223 where: bonds (distance) C4'-P energy: -84.714 bonds (distance) P-C4' energy: -115.345 flat angles C4'-P-C4' energy: -94.573 flat angles P-C4'-P energy: -57.363 tors. eta vs tors. theta energy: -52.701 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: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -783.285400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.285400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.285400 (E_RNA) where: Base-Base interactions energy: -438.661 where: short stacking energy: -227.476 Base-Backbone interact. energy: 0.432 local terms energy: -345.056060 where: bonds (distance) C4'-P energy: -84.171 bonds (distance) P-C4' energy: -89.477 flat angles C4'-P-C4' energy: -95.139 flat angles P-C4'-P energy: -49.438 tors. eta vs tors. theta energy: -26.831 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: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -624.058150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.058150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.058150 (E_RNA) where: Base-Base interactions energy: -315.792 where: short stacking energy: -184.360 Base-Backbone interact. energy: -0.061 local terms energy: -308.205269 where: bonds (distance) C4'-P energy: -82.161 bonds (distance) P-C4' energy: -89.682 flat angles C4'-P-C4' energy: -82.303 flat angles P-C4'-P energy: -51.557 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -504.114129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.114129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.114129 (E_RNA) where: Base-Base interactions energy: -221.813 where: short stacking energy: -133.100 Base-Backbone interact. energy: 4.162 local terms energy: -286.463279 where: bonds (distance) C4'-P energy: -96.216 bonds (distance) P-C4' energy: -96.284 flat angles C4'-P-C4' energy: -70.542 flat angles P-C4'-P energy: -34.086 tors. eta vs tors. theta energy: 10.665 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: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1777.981561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.981561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.981561 (E_RNA) where: Base-Base interactions energy: -1189.038 where: short stacking energy: -536.518 Base-Backbone interact. energy: -3.638 local terms energy: -585.305427 where: bonds (distance) C4'-P energy: -96.864 bonds (distance) P-C4' energy: -114.931 flat angles C4'-P-C4' energy: -123.793 flat angles P-C4'-P energy: -92.015 tors. eta vs tors. theta energy: -157.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1654.486272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.486272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.486272 (E_RNA) where: Base-Base interactions energy: -1079.582 where: short stacking energy: -447.645 Base-Backbone interact. energy: -2.902 local terms energy: -572.002236 where: bonds (distance) C4'-P energy: -128.818 bonds (distance) P-C4' energy: -117.515 flat angles C4'-P-C4' energy: -118.543 flat angles P-C4'-P energy: -78.118 tors. eta vs tors. theta energy: -129.008 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: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1544.644602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.644602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.644602 (E_RNA) where: Base-Base interactions energy: -997.656 where: short stacking energy: -479.696 Base-Backbone interact. energy: -2.009 local terms energy: -544.978901 where: bonds (distance) C4'-P energy: -94.463 bonds (distance) P-C4' energy: -118.470 flat angles C4'-P-C4' energy: -117.302 flat angles P-C4'-P energy: -76.736 tors. eta vs tors. theta energy: -138.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1432.073825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.073825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.073825 (E_RNA) where: Base-Base interactions energy: -949.587 where: short stacking energy: -423.399 Base-Backbone interact. energy: -3.661 local terms energy: -478.824961 where: bonds (distance) C4'-P energy: -104.437 bonds (distance) P-C4' energy: -103.676 flat angles C4'-P-C4' energy: -103.091 flat angles P-C4'-P energy: -64.887 tors. eta vs tors. theta energy: -102.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1281.693454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.693454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.693454 (E_RNA) where: Base-Base interactions energy: -798.473 where: short stacking energy: -368.422 Base-Backbone interact. energy: -1.115 local terms energy: -482.105336 where: bonds (distance) C4'-P energy: -96.783 bonds (distance) P-C4' energy: -101.106 flat angles C4'-P-C4' energy: -110.318 flat angles P-C4'-P energy: -71.337 tors. eta vs tors. theta energy: -102.560 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: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1284.234669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.234669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.234669 (E_RNA) where: Base-Base interactions energy: -835.182 where: short stacking energy: -430.217 Base-Backbone interact. energy: -1.333 local terms energy: -447.719650 where: bonds (distance) C4'-P energy: -73.593 bonds (distance) P-C4' energy: -91.794 flat angles C4'-P-C4' energy: -118.581 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -110.256 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: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -921.040062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.040062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.040062 (E_RNA) where: Base-Base interactions energy: -532.945 where: short stacking energy: -265.137 Base-Backbone interact. energy: -1.253 local terms energy: -386.841383 where: bonds (distance) C4'-P energy: -92.923 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -101.441 flat angles P-C4'-P energy: -52.235 tors. eta vs tors. theta energy: -42.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -772.042481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.042481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.042481 (E_RNA) where: Base-Base interactions energy: -428.720 where: short stacking energy: -195.330 Base-Backbone interact. energy: 0.556 local terms energy: -343.878407 where: bonds (distance) C4'-P energy: -92.457 bonds (distance) P-C4' energy: -88.233 flat angles C4'-P-C4' energy: -87.699 flat angles P-C4'-P energy: -59.267 tors. eta vs tors. theta energy: -16.222 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: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -637.672535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.672535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.672535 (E_RNA) where: Base-Base interactions energy: -319.885 where: short stacking energy: -194.760 Base-Backbone interact. energy: 0.960 local terms energy: -318.747135 where: bonds (distance) C4'-P energy: -85.931 bonds (distance) P-C4' energy: -99.361 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: -1.711 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: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -475.309829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.309829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.309829 (E_RNA) where: Base-Base interactions energy: -201.726 where: short stacking energy: -124.076 Base-Backbone interact. energy: 0.487 local terms energy: -274.070071 where: bonds (distance) C4'-P energy: -81.483 bonds (distance) P-C4' energy: -86.108 flat angles C4'-P-C4' energy: -72.500 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: 6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1769.775792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.775792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.775792 (E_RNA) where: Base-Base interactions energy: -1201.745 where: short stacking energy: -539.856 Base-Backbone interact. energy: -0.151 local terms energy: -567.879923 where: bonds (distance) C4'-P energy: -85.161 bonds (distance) P-C4' energy: -117.247 flat angles C4'-P-C4' energy: -123.864 flat angles P-C4'-P energy: -89.472 tors. eta vs tors. theta energy: -152.136 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: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1676.741051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.741051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.741051 (E_RNA) where: Base-Base interactions energy: -1132.672 where: short stacking energy: -504.518 Base-Backbone interact. energy: -2.949 local terms energy: -541.119889 where: bonds (distance) C4'-P energy: -91.685 bonds (distance) P-C4' energy: -101.723 flat angles C4'-P-C4' energy: -127.788 flat angles P-C4'-P energy: -84.997 tors. eta vs tors. theta energy: -134.926 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: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1488.061222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.061222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.061222 (E_RNA) where: Base-Base interactions energy: -954.766 where: short stacking energy: -460.055 Base-Backbone interact. energy: 1.219 local terms energy: -534.514180 where: bonds (distance) C4'-P energy: -103.959 bonds (distance) P-C4' energy: -107.616 flat angles C4'-P-C4' energy: -114.356 flat angles P-C4'-P energy: -79.909 tors. eta vs tors. theta energy: -128.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1467.470663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.470663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.470663 (E_RNA) where: Base-Base interactions energy: -974.938 where: short stacking energy: -435.973 Base-Backbone interact. energy: 3.450 local terms energy: -495.982839 where: bonds (distance) C4'-P energy: -92.701 bonds (distance) P-C4' energy: -99.842 flat angles C4'-P-C4' energy: -113.937 flat angles P-C4'-P energy: -64.746 tors. eta vs tors. theta energy: -124.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1303.726750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.726750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.726750 (E_RNA) where: Base-Base interactions energy: -839.053 where: short stacking energy: -382.964 Base-Backbone interact. energy: -4.087 local terms energy: -460.587494 where: bonds (distance) C4'-P energy: -108.444 bonds (distance) P-C4' energy: -89.507 flat angles C4'-P-C4' energy: -99.477 flat angles P-C4'-P energy: -77.707 tors. eta vs tors. theta energy: -85.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1262.426083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.426083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.426083 (E_RNA) where: Base-Base interactions energy: -832.436 where: short stacking energy: -367.429 Base-Backbone interact. energy: -2.696 local terms energy: -427.293520 where: bonds (distance) C4'-P energy: -94.527 bonds (distance) P-C4' energy: -93.272 flat angles C4'-P-C4' energy: -105.695 flat angles P-C4'-P energy: -46.654 tors. eta vs tors. theta energy: -87.146 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: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -963.643608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.643608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.643608 (E_RNA) where: Base-Base interactions energy: -529.446 where: short stacking energy: -270.798 Base-Backbone interact. energy: 1.271 local terms energy: -435.468525 where: bonds (distance) C4'-P energy: -108.626 bonds (distance) P-C4' energy: -99.121 flat angles C4'-P-C4' energy: -110.658 flat angles P-C4'-P energy: -71.581 tors. eta vs tors. theta energy: -45.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -782.584430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.584430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.584430 (E_RNA) where: Base-Base interactions energy: -437.204 where: short stacking energy: -244.678 Base-Backbone interact. energy: -1.334 local terms energy: -344.046348 where: bonds (distance) C4'-P energy: -75.327 bonds (distance) P-C4' energy: -111.257 flat angles C4'-P-C4' energy: -84.913 flat angles P-C4'-P energy: -41.205 tors. eta vs tors. theta energy: -31.344 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: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -524.105311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.105311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.105311 (E_RNA) where: Base-Base interactions energy: -206.066 where: short stacking energy: -147.980 Base-Backbone interact. energy: 2.292 local terms energy: -320.330474 where: bonds (distance) C4'-P energy: -80.844 bonds (distance) P-C4' energy: -87.892 flat angles C4'-P-C4' energy: -97.008 flat angles P-C4'-P energy: -66.281 tors. eta vs tors. theta energy: 11.694 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: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -571.741132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.741132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.741132 (E_RNA) where: Base-Base interactions energy: -278.735 where: short stacking energy: -169.548 Base-Backbone interact. energy: -1.398 local terms energy: -291.607534 where: bonds (distance) C4'-P energy: -83.178 bonds (distance) P-C4' energy: -95.245 flat angles C4'-P-C4' energy: -75.113 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: 10.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1781.071587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.071587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.071587 (E_RNA) where: Base-Base interactions energy: -1216.740 where: short stacking energy: -520.954 Base-Backbone interact. energy: -2.411 local terms energy: -561.920055 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -101.747 flat angles C4'-P-C4' energy: -124.948 flat angles P-C4'-P energy: -74.102 tors. eta vs tors. theta energy: -151.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1661.711213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.711213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.711213 (E_RNA) where: Base-Base interactions energy: -1115.870 where: short stacking energy: -477.839 Base-Backbone interact. energy: -2.132 local terms energy: -543.709764 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -118.960 flat angles C4'-P-C4' energy: -121.431 flat angles P-C4'-P energy: -69.633 tors. eta vs tors. theta energy: -137.001 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: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1541.019296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.019296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.019296 (E_RNA) where: Base-Base interactions energy: -1035.959 where: short stacking energy: -469.278 Base-Backbone interact. energy: -0.092 local terms energy: -504.968696 where: bonds (distance) C4'-P energy: -106.580 bonds (distance) P-C4' energy: -95.392 flat angles C4'-P-C4' energy: -103.365 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -123.557 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: 183 Temperature: 1.050000 Total energy: -1446.776917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.776917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.776917 (E_RNA) where: Base-Base interactions energy: -960.645 where: short stacking energy: -447.826 Base-Backbone interact. energy: 1.177 local terms energy: -487.308714 where: bonds (distance) C4'-P energy: -88.895 bonds (distance) P-C4' energy: -98.529 flat angles C4'-P-C4' energy: -109.975 flat angles P-C4'-P energy: -62.553 tors. eta vs tors. theta energy: -127.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1268.517051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.517051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.517051 (E_RNA) where: Base-Base interactions energy: -818.602 where: short stacking energy: -374.943 Base-Backbone interact. energy: -3.302 local terms energy: -446.612307 where: bonds (distance) C4'-P energy: -106.035 bonds (distance) P-C4' energy: -94.965 flat angles C4'-P-C4' energy: -108.470 flat angles P-C4'-P energy: -53.648 tors. eta vs tors. theta energy: -83.493 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: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1302.573346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.573346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.573346 (E_RNA) where: Base-Base interactions energy: -834.316 where: short stacking energy: -404.685 Base-Backbone interact. energy: -1.401 local terms energy: -466.856126 where: bonds (distance) C4'-P energy: -98.198 bonds (distance) P-C4' energy: -96.220 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -101.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1001.275143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.275143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.275143 (E_RNA) where: Base-Base interactions energy: -597.755 where: short stacking energy: -286.462 Base-Backbone interact. energy: -1.277 local terms energy: -402.243157 where: bonds (distance) C4'-P energy: -81.220 bonds (distance) P-C4' energy: -90.819 flat angles C4'-P-C4' energy: -102.454 flat angles P-C4'-P energy: -63.464 tors. eta vs tors. theta energy: -64.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -782.068974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.068974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.068974 (E_RNA) where: Base-Base interactions energy: -416.713 where: short stacking energy: -239.227 Base-Backbone interact. energy: 3.441 local terms energy: -368.796741 where: bonds (distance) C4'-P energy: -93.176 bonds (distance) P-C4' energy: -96.736 flat angles C4'-P-C4' energy: -104.925 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: -24.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -525.162970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.162970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.162970 (E_RNA) where: Base-Base interactions energy: -233.588 where: short stacking energy: -158.658 Base-Backbone interact. energy: 4.401 local terms energy: -295.975278 where: bonds (distance) C4'-P energy: -93.881 bonds (distance) P-C4' energy: -99.392 flat angles C4'-P-C4' energy: -72.592 flat angles P-C4'-P energy: -34.548 tors. eta vs tors. theta energy: 4.439 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: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -529.103049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.103049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.103049 (E_RNA) where: Base-Base interactions energy: -273.412 where: short stacking energy: -158.775 Base-Backbone interact. energy: 0.295 local terms energy: -255.986370 where: bonds (distance) C4'-P energy: -70.385 bonds (distance) P-C4' energy: -79.891 flat angles C4'-P-C4' energy: -72.777 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: 9.284 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: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1775.840727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.840727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.840727 (E_RNA) where: Base-Base interactions energy: -1210.032 where: short stacking energy: -538.298 Base-Backbone interact. energy: -2.500 local terms energy: -563.308707 where: bonds (distance) C4'-P energy: -103.673 bonds (distance) P-C4' energy: -104.253 flat angles C4'-P-C4' energy: -119.873 flat angles P-C4'-P energy: -83.870 tors. eta vs tors. theta energy: -151.640 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: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1631.089874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.089874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.089874 (E_RNA) where: Base-Base interactions energy: -1084.825 where: short stacking energy: -476.533 Base-Backbone interact. energy: -0.010 local terms energy: -546.254700 where: bonds (distance) C4'-P energy: -110.893 bonds (distance) P-C4' energy: -106.313 flat angles C4'-P-C4' energy: -119.568 flat angles P-C4'-P energy: -75.324 tors. eta vs tors. theta energy: -134.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1557.456441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.456441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.456441 (E_RNA) where: Base-Base interactions energy: -1023.205 where: short stacking energy: -474.609 Base-Backbone interact. energy: -3.987 local terms energy: -530.264316 where: bonds (distance) C4'-P energy: -98.805 bonds (distance) P-C4' energy: -110.623 flat angles C4'-P-C4' energy: -113.346 flat angles P-C4'-P energy: -76.463 tors. eta vs tors. theta energy: -131.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1449.404588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.404588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.404588 (E_RNA) where: Base-Base interactions energy: -957.485 where: short stacking energy: -428.014 Base-Backbone interact. energy: -1.908 local terms energy: -490.011828 where: bonds (distance) C4'-P energy: -97.448 bonds (distance) P-C4' energy: -91.564 flat angles C4'-P-C4' energy: -115.234 flat angles P-C4'-P energy: -83.356 tors. eta vs tors. theta energy: -102.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1327.108725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.108725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.108725 (E_RNA) where: Base-Base interactions energy: -846.114 where: short stacking energy: -394.516 Base-Backbone interact. energy: 2.618 local terms energy: -483.612892 where: bonds (distance) C4'-P energy: -96.706 bonds (distance) P-C4' energy: -115.483 flat angles C4'-P-C4' energy: -111.217 flat angles P-C4'-P energy: -69.137 tors. eta vs tors. theta energy: -91.071 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: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1236.197508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.197508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.197508 (E_RNA) where: Base-Base interactions energy: -796.889 where: short stacking energy: -371.650 Base-Backbone interact. energy: 1.167 local terms energy: -440.475677 where: bonds (distance) C4'-P energy: -91.859 bonds (distance) P-C4' energy: -97.739 flat angles C4'-P-C4' energy: -104.572 flat angles P-C4'-P energy: -53.996 tors. eta vs tors. theta energy: -92.309 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: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -978.982180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.982180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.982180 (E_RNA) where: Base-Base interactions energy: -591.052 where: short stacking energy: -304.402 Base-Backbone interact. energy: -2.385 local terms energy: -385.545502 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -82.230 flat angles C4'-P-C4' energy: -92.959 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: -50.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -817.444651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.444651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.444651 (E_RNA) where: Base-Base interactions energy: -491.373 where: short stacking energy: -226.501 Base-Backbone interact. energy: 1.599 local terms energy: -327.670661 where: bonds (distance) C4'-P energy: -91.109 bonds (distance) P-C4' energy: -87.821 flat angles C4'-P-C4' energy: -81.705 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -14.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -514.906888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.906888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.906888 (E_RNA) where: Base-Base interactions energy: -219.099 where: short stacking energy: -176.869 Base-Backbone interact. energy: 1.238 local terms energy: -297.045228 where: bonds (distance) C4'-P energy: -90.216 bonds (distance) P-C4' energy: -78.791 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: 5.280 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: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -563.089177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.089177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.089177 (E_RNA) where: Base-Base interactions energy: -260.558 where: short stacking energy: -120.851 Base-Backbone interact. energy: 0.521 local terms energy: -303.052210 where: bonds (distance) C4'-P energy: -101.633 bonds (distance) P-C4' energy: -95.991 flat angles C4'-P-C4' energy: -83.346 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: 21.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1761.550220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.550220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.550220 (E_RNA) where: Base-Base interactions energy: -1210.865 where: short stacking energy: -519.403 Base-Backbone interact. energy: 2.301 local terms energy: -552.986843 where: bonds (distance) C4'-P energy: -107.938 bonds (distance) P-C4' energy: -107.161 flat angles C4'-P-C4' energy: -109.067 flat angles P-C4'-P energy: -74.212 tors. eta vs tors. theta energy: -154.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1635.306464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.306464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.306464 (E_RNA) where: Base-Base interactions energy: -1113.034 where: short stacking energy: -495.507 Base-Backbone interact. energy: -5.762 local terms energy: -516.510701 where: bonds (distance) C4'-P energy: -103.206 bonds (distance) P-C4' energy: -97.126 flat angles C4'-P-C4' energy: -122.475 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: -122.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1567.052523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.052523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.052523 (E_RNA) where: Base-Base interactions energy: -1027.804 where: short stacking energy: -485.931 Base-Backbone interact. energy: -1.328 local terms energy: -537.920334 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -101.676 flat angles C4'-P-C4' energy: -117.060 flat angles P-C4'-P energy: -84.483 tors. eta vs tors. theta energy: -133.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1459.221801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.221801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.221801 (E_RNA) where: Base-Base interactions energy: -967.376 where: short stacking energy: -426.977 Base-Backbone interact. energy: -3.572 local terms energy: -488.273727 where: bonds (distance) C4'-P energy: -94.613 bonds (distance) P-C4' energy: -107.771 flat angles C4'-P-C4' energy: -111.402 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -107.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1353.714058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.714058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.714058 (E_RNA) where: Base-Base interactions energy: -866.792 where: short stacking energy: -434.858 Base-Backbone interact. energy: 3.145 local terms energy: -490.066803 where: bonds (distance) C4'-P energy: -96.112 bonds (distance) P-C4' energy: -104.160 flat angles C4'-P-C4' energy: -112.253 flat angles P-C4'-P energy: -65.113 tors. eta vs tors. theta energy: -112.429 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: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1290.710271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.710271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.710271 (E_RNA) where: Base-Base interactions energy: -804.946 where: short stacking energy: -381.409 Base-Backbone interact. energy: -1.051 local terms energy: -484.713085 where: bonds (distance) C4'-P energy: -93.077 bonds (distance) P-C4' energy: -115.957 flat angles C4'-P-C4' energy: -112.920 flat angles P-C4'-P energy: -61.393 tors. eta vs tors. theta energy: -101.367 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: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -936.943590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.943590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.943590 (E_RNA) where: Base-Base interactions energy: -561.892 where: short stacking energy: -277.715 Base-Backbone interact. energy: -1.921 local terms energy: -373.130230 where: bonds (distance) C4'-P energy: -85.861 bonds (distance) P-C4' energy: -94.405 flat angles C4'-P-C4' energy: -97.539 flat angles P-C4'-P energy: -57.805 tors. eta vs tors. theta energy: -37.521 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: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -828.258473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.258473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.258473 (E_RNA) where: Base-Base interactions energy: -459.040 where: short stacking energy: -258.268 Base-Backbone interact. energy: 0.859 local terms energy: -370.077842 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -91.814 flat angles C4'-P-C4' energy: -87.756 flat angles P-C4'-P energy: -67.060 tors. eta vs tors. theta energy: -30.110 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: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -481.361938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.361938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.361938 (E_RNA) where: Base-Base interactions energy: -187.900 where: short stacking energy: -148.508 Base-Backbone interact. energy: 1.224 local terms energy: -294.685352 where: bonds (distance) C4'-P energy: -72.079 bonds (distance) P-C4' energy: -105.483 flat angles C4'-P-C4' energy: -76.921 flat angles P-C4'-P energy: -52.659 tors. eta vs tors. theta energy: 12.457 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: 185 Temperature: 1.350000 Total energy: -570.540348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.540348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.540348 (E_RNA) where: Base-Base interactions energy: -274.769 where: short stacking energy: -152.290 Base-Backbone interact. energy: -2.331 local terms energy: -293.441216 where: bonds (distance) C4'-P energy: -82.328 bonds (distance) P-C4' energy: -86.603 flat angles C4'-P-C4' energy: -78.651 flat angles P-C4'-P energy: -59.484 tors. eta vs tors. theta energy: 13.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1776.897914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.897914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.897914 (E_RNA) where: Base-Base interactions energy: -1196.702 where: short stacking energy: -525.320 Base-Backbone interact. energy: -1.049 local terms energy: -579.146883 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -119.053 flat angles C4'-P-C4' energy: -126.050 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -141.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1678.767023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.767023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.767023 (E_RNA) where: Base-Base interactions energy: -1118.201 where: short stacking energy: -487.415 Base-Backbone interact. energy: -3.127 local terms energy: -557.439444 where: bonds (distance) C4'-P energy: -103.135 bonds (distance) P-C4' energy: -110.224 flat angles C4'-P-C4' energy: -131.574 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: -132.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1580.562340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.562340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.562340 (E_RNA) where: Base-Base interactions energy: -1035.804 where: short stacking energy: -475.262 Base-Backbone interact. energy: 3.586 local terms energy: -548.343864 where: bonds (distance) C4'-P energy: -113.742 bonds (distance) P-C4' energy: -112.330 flat angles C4'-P-C4' energy: -107.096 flat angles P-C4'-P energy: -79.843 tors. eta vs tors. theta energy: -135.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1452.820005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.820005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.820005 (E_RNA) where: Base-Base interactions energy: -965.403 where: short stacking energy: -429.686 Base-Backbone interact. energy: -3.789 local terms energy: -483.628066 where: bonds (distance) C4'-P energy: -102.919 bonds (distance) P-C4' energy: -105.001 flat angles C4'-P-C4' energy: -112.267 flat angles P-C4'-P energy: -58.621 tors. eta vs tors. theta energy: -104.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1286.022907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.022907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.022907 (E_RNA) where: Base-Base interactions energy: -816.158 where: short stacking energy: -372.342 Base-Backbone interact. energy: -0.607 local terms energy: -469.258030 where: bonds (distance) C4'-P energy: -101.275 bonds (distance) P-C4' energy: -102.918 flat angles C4'-P-C4' energy: -107.097 flat angles P-C4'-P energy: -62.056 tors. eta vs tors. theta energy: -95.911 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: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1269.690308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.690308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.690308 (E_RNA) where: Base-Base interactions energy: -821.942 where: short stacking energy: -363.690 Base-Backbone interact. energy: -5.947 local terms energy: -441.801452 where: bonds (distance) C4'-P energy: -95.881 bonds (distance) P-C4' energy: -93.727 flat angles C4'-P-C4' energy: -102.383 flat angles P-C4'-P energy: -59.538 tors. eta vs tors. theta energy: -90.273 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: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -897.053060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.053060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.053060 (E_RNA) where: Base-Base interactions energy: -503.362 where: short stacking energy: -274.208 Base-Backbone interact. energy: -1.078 local terms energy: -392.613634 where: bonds (distance) C4'-P energy: -85.655 bonds (distance) P-C4' energy: -90.416 flat angles C4'-P-C4' energy: -106.745 flat angles P-C4'-P energy: -49.815 tors. eta vs tors. theta energy: -59.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -824.426827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.426827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.426827 (E_RNA) where: Base-Base interactions energy: -449.701 where: short stacking energy: -243.174 Base-Backbone interact. energy: -1.199 local terms energy: -373.526431 where: bonds (distance) C4'-P energy: -97.025 bonds (distance) P-C4' energy: -101.515 flat angles C4'-P-C4' energy: -93.794 flat angles P-C4'-P energy: -65.762 tors. eta vs tors. theta energy: -15.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -613.576492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.576492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.576492 (E_RNA) where: Base-Base interactions energy: -325.994 where: short stacking energy: -172.401 Base-Backbone interact. energy: 1.495 local terms energy: -289.077354 where: bonds (distance) C4'-P energy: -90.940 bonds (distance) P-C4' energy: -105.095 flat angles C4'-P-C4' energy: -58.007 flat angles P-C4'-P energy: -36.025 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -457.562748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.562748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.562748 (E_RNA) where: Base-Base interactions energy: -176.292 where: short stacking energy: -150.797 Base-Backbone interact. energy: 2.225 local terms energy: -283.495820 where: bonds (distance) C4'-P energy: -90.489 bonds (distance) P-C4' energy: -90.375 flat angles C4'-P-C4' energy: -70.366 flat angles P-C4'-P energy: -35.119 tors. eta vs tors. theta energy: 2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1742.900433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.900433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.900433 (E_RNA) where: Base-Base interactions energy: -1188.732 where: short stacking energy: -512.234 Base-Backbone interact. energy: -6.023 local terms energy: -548.145377 where: bonds (distance) C4'-P energy: -98.160 bonds (distance) P-C4' energy: -116.849 flat angles C4'-P-C4' energy: -113.666 flat angles P-C4'-P energy: -74.457 tors. eta vs tors. theta energy: -145.013 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: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1640.102674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.102674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.102674 (E_RNA) where: Base-Base interactions energy: -1118.155 where: short stacking energy: -476.010 Base-Backbone interact. energy: -6.008 local terms energy: -515.939205 where: bonds (distance) C4'-P energy: -91.211 bonds (distance) P-C4' energy: -110.151 flat angles C4'-P-C4' energy: -122.225 flat angles P-C4'-P energy: -69.670 tors. eta vs tors. theta energy: -122.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1587.989490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.989490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.989490 (E_RNA) where: Base-Base interactions energy: -1044.202 where: short stacking energy: -522.421 Base-Backbone interact. energy: -1.325 local terms energy: -542.463167 where: bonds (distance) C4'-P energy: -105.804 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -109.406 flat angles P-C4'-P energy: -84.786 tors. eta vs tors. theta energy: -157.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1453.168217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.168217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.168217 (E_RNA) where: Base-Base interactions energy: -960.968 where: short stacking energy: -475.845 Base-Backbone interact. energy: 4.436 local terms energy: -496.636061 where: bonds (distance) C4'-P energy: -95.054 bonds (distance) P-C4' energy: -105.186 flat angles C4'-P-C4' energy: -111.852 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -118.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1319.325980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.325980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.325980 (E_RNA) where: Base-Base interactions energy: -886.490 where: short stacking energy: -389.897 Base-Backbone interact. energy: -2.819 local terms energy: -430.016692 where: bonds (distance) C4'-P energy: -99.301 bonds (distance) P-C4' energy: -106.524 flat angles C4'-P-C4' energy: -90.840 flat angles P-C4'-P energy: -54.369 tors. eta vs tors. theta energy: -78.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1252.720190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.720190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.720190 (E_RNA) where: Base-Base interactions energy: -840.599 where: short stacking energy: -394.055 Base-Backbone interact. energy: -1.602 local terms energy: -410.518797 where: bonds (distance) C4'-P energy: -74.552 bonds (distance) P-C4' energy: -91.477 flat angles C4'-P-C4' energy: -97.845 flat angles P-C4'-P energy: -53.856 tors. eta vs tors. theta energy: -92.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -914.268499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.268499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.268499 (E_RNA) where: Base-Base interactions energy: -506.653 where: short stacking energy: -263.167 Base-Backbone interact. energy: 0.887 local terms energy: -408.502507 where: bonds (distance) C4'-P energy: -87.901 bonds (distance) P-C4' energy: -112.413 flat angles C4'-P-C4' energy: -107.926 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -46.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -811.902771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.902771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.902771 (E_RNA) where: Base-Base interactions energy: -434.266 where: short stacking energy: -228.853 Base-Backbone interact. energy: 0.425 local terms energy: -378.061773 where: bonds (distance) C4'-P energy: -97.218 bonds (distance) P-C4' energy: -105.763 flat angles C4'-P-C4' energy: -87.728 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -26.902 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: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -616.222058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.222058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.222058 (E_RNA) where: Base-Base interactions energy: -330.074 where: short stacking energy: -196.065 Base-Backbone interact. energy: 0.300 local terms energy: -286.447492 where: bonds (distance) C4'-P energy: -78.702 bonds (distance) P-C4' energy: -76.494 flat angles C4'-P-C4' energy: -88.201 flat angles P-C4'-P energy: -28.402 tors. eta vs tors. theta energy: -14.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -408.746079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.746079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.746079 (E_RNA) where: Base-Base interactions energy: -143.408 where: short stacking energy: -124.603 Base-Backbone interact. energy: -0.930 local terms energy: -264.408243 where: bonds (distance) C4'-P energy: -80.410 bonds (distance) P-C4' energy: -87.300 flat angles C4'-P-C4' energy: -75.299 flat angles P-C4'-P energy: -47.715 tors. eta vs tors. theta energy: 26.316 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: 2 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1760.556829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.556829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.556829 (E_RNA) where: Base-Base interactions energy: -1191.218 where: short stacking energy: -550.971 Base-Backbone interact. energy: -2.058 local terms energy: -567.280425 where: bonds (distance) C4'-P energy: -116.306 bonds (distance) P-C4' energy: -105.721 flat angles C4'-P-C4' energy: -114.180 flat angles P-C4'-P energy: -72.662 tors. eta vs tors. theta energy: -158.411 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: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1650.448091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.448091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.448091 (E_RNA) where: Base-Base interactions energy: -1112.205 where: short stacking energy: -493.836 Base-Backbone interact. energy: -2.582 local terms energy: -535.661467 where: bonds (distance) C4'-P energy: -85.668 bonds (distance) P-C4' energy: -114.688 flat angles C4'-P-C4' energy: -122.460 flat angles P-C4'-P energy: -81.020 tors. eta vs tors. theta energy: -131.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1556.346975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.346975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.346975 (E_RNA) where: Base-Base interactions energy: -1005.711 where: short stacking energy: -512.821 Base-Backbone interact. energy: -3.380 local terms energy: -547.256174 where: bonds (distance) C4'-P energy: -109.116 bonds (distance) P-C4' energy: -95.662 flat angles C4'-P-C4' energy: -121.516 flat angles P-C4'-P energy: -78.159 tors. eta vs tors. theta energy: -142.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1462.952560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.952560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.952560 (E_RNA) where: Base-Base interactions energy: -957.793 where: short stacking energy: -461.789 Base-Backbone interact. energy: 1.526 local terms energy: -506.685596 where: bonds (distance) C4'-P energy: -93.378 bonds (distance) P-C4' energy: -107.354 flat angles C4'-P-C4' energy: -108.182 flat angles P-C4'-P energy: -73.704 tors. eta vs tors. theta energy: -124.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1306.296296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.296296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.296296 (E_RNA) where: Base-Base interactions energy: -859.000 where: short stacking energy: -380.724 Base-Backbone interact. energy: -4.492 local terms energy: -442.803983 where: bonds (distance) C4'-P energy: -79.486 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -99.696 flat angles P-C4'-P energy: -63.427 tors. eta vs tors. theta energy: -96.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1230.909286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.909286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.909286 (E_RNA) where: Base-Base interactions energy: -803.078 where: short stacking energy: -333.507 Base-Backbone interact. energy: 3.589 local terms energy: -431.419501 where: bonds (distance) C4'-P energy: -103.816 bonds (distance) P-C4' energy: -109.533 flat angles C4'-P-C4' energy: -97.503 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -64.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -887.576112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.576112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.576112 (E_RNA) where: Base-Base interactions energy: -507.811 where: short stacking energy: -247.564 Base-Backbone interact. energy: -1.695 local terms energy: -378.069743 where: bonds (distance) C4'-P energy: -93.779 bonds (distance) P-C4' energy: -97.735 flat angles C4'-P-C4' energy: -100.830 flat angles P-C4'-P energy: -57.178 tors. eta vs tors. theta energy: -28.548 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: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -831.597550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.597550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.597550 (E_RNA) where: Base-Base interactions energy: -493.017 where: short stacking energy: -259.881 Base-Backbone interact. energy: 1.951 local terms energy: -340.531141 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -86.540 flat angles C4'-P-C4' energy: -92.003 flat angles P-C4'-P energy: -27.797 tors. eta vs tors. theta energy: -44.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -632.546764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.546764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.546764 (E_RNA) where: Base-Base interactions energy: -318.687 where: short stacking energy: -178.698 Base-Backbone interact. energy: -3.117 local terms energy: -310.742527 where: bonds (distance) C4'-P energy: -64.813 bonds (distance) P-C4' energy: -94.189 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -61.705 tors. eta vs tors. theta energy: -2.294 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: 188 Temperature: 1.350000 Total energy: -440.848353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.848353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.848353 (E_RNA) where: Base-Base interactions energy: -132.868 where: short stacking energy: -125.640 Base-Backbone interact. energy: 0.981 local terms energy: -308.960692 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -108.711 flat angles C4'-P-C4' energy: -89.222 flat angles P-C4'-P energy: -40.649 tors. eta vs tors. theta energy: 22.577 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: 2 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1774.963854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.963854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.963854 (E_RNA) where: Base-Base interactions energy: -1199.371 where: short stacking energy: -546.069 Base-Backbone interact. energy: -4.041 local terms energy: -571.552100 where: bonds (distance) C4'-P energy: -100.709 bonds (distance) P-C4' energy: -109.415 flat angles C4'-P-C4' energy: -125.294 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -163.031 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: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1670.370971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.370971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.370971 (E_RNA) where: Base-Base interactions energy: -1129.014 where: short stacking energy: -494.025 Base-Backbone interact. energy: -6.437 local terms energy: -534.920555 where: bonds (distance) C4'-P energy: -106.574 bonds (distance) P-C4' energy: -102.359 flat angles C4'-P-C4' energy: -110.091 flat angles P-C4'-P energy: -73.773 tors. eta vs tors. theta energy: -142.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1539.919465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.919465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.919465 (E_RNA) where: Base-Base interactions energy: -1016.413 where: short stacking energy: -470.455 Base-Backbone interact. energy: -1.241 local terms energy: -522.264903 where: bonds (distance) C4'-P energy: -105.832 bonds (distance) P-C4' energy: -98.070 flat angles C4'-P-C4' energy: -104.558 flat angles P-C4'-P energy: -81.736 tors. eta vs tors. theta energy: -132.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1516.338272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.338272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.338272 (E_RNA) where: Base-Base interactions energy: -1029.174 where: short stacking energy: -457.456 Base-Backbone interact. energy: -3.444 local terms energy: -483.720350 where: bonds (distance) C4'-P energy: -102.793 bonds (distance) P-C4' energy: -92.058 flat angles C4'-P-C4' energy: -109.112 flat angles P-C4'-P energy: -63.464 tors. eta vs tors. theta energy: -116.293 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: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1362.538176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.538176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.538176 (E_RNA) where: Base-Base interactions energy: -883.273 where: short stacking energy: -398.468 Base-Backbone interact. energy: -1.496 local terms energy: -477.769388 where: bonds (distance) C4'-P energy: -93.166 bonds (distance) P-C4' energy: -98.042 flat angles C4'-P-C4' energy: -118.032 flat angles P-C4'-P energy: -71.342 tors. eta vs tors. theta energy: -97.188 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: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1248.140315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.140315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.140315 (E_RNA) where: Base-Base interactions energy: -829.771 where: short stacking energy: -377.957 Base-Backbone interact. energy: 1.654 local terms energy: -420.023482 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -104.583 flat angles C4'-P-C4' energy: -97.241 flat angles P-C4'-P energy: -54.994 tors. eta vs tors. theta energy: -77.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -861.676176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.676176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.676176 (E_RNA) where: Base-Base interactions energy: -495.257 where: short stacking energy: -258.354 Base-Backbone interact. energy: 0.901 local terms energy: -367.320457 where: bonds (distance) C4'-P energy: -97.587 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -88.233 flat angles P-C4'-P energy: -53.843 tors. eta vs tors. theta energy: -26.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -777.378685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.378685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.378685 (E_RNA) where: Base-Base interactions energy: -420.477 where: short stacking energy: -214.249 Base-Backbone interact. energy: -0.976 local terms energy: -355.926357 where: bonds (distance) C4'-P energy: -75.765 bonds (distance) P-C4' energy: -95.112 flat angles C4'-P-C4' energy: -89.743 flat angles P-C4'-P energy: -66.095 tors. eta vs tors. theta energy: -29.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -603.686400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.686400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.686400 (E_RNA) where: Base-Base interactions energy: -271.788 where: short stacking energy: -178.152 Base-Backbone interact. energy: 4.901 local terms energy: -336.799033 where: bonds (distance) C4'-P energy: -91.377 bonds (distance) P-C4' energy: -79.051 flat angles C4'-P-C4' energy: -93.164 flat angles P-C4'-P energy: -59.336 tors. eta vs tors. theta energy: -13.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -443.183132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.183132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.183132 (E_RNA) where: Base-Base interactions energy: -143.449 where: short stacking energy: -115.269 Base-Backbone interact. energy: -1.367 local terms energy: -298.366833 where: bonds (distance) C4'-P energy: -105.222 bonds (distance) P-C4' energy: -92.399 flat angles C4'-P-C4' energy: -74.374 flat angles P-C4'-P energy: -39.971 tors. eta vs tors. theta energy: 13.599 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: 190 Temperature: 0.900000 Total energy: -1775.478709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.478709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.478709 (E_RNA) where: Base-Base interactions energy: -1184.889 where: short stacking energy: -533.563 Base-Backbone interact. energy: -1.080 local terms energy: -589.510214 where: bonds (distance) C4'-P energy: -104.320 bonds (distance) P-C4' energy: -129.107 flat angles C4'-P-C4' energy: -116.238 flat angles P-C4'-P energy: -79.825 tors. eta vs tors. theta energy: -160.020 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: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1698.389689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.389689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.389689 (E_RNA) where: Base-Base interactions energy: -1155.339 where: short stacking energy: -497.552 Base-Backbone interact. energy: -4.508 local terms energy: -538.542492 where: bonds (distance) C4'-P energy: -101.198 bonds (distance) P-C4' energy: -108.476 flat angles C4'-P-C4' energy: -110.159 flat angles P-C4'-P energy: -68.936 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: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1518.306623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.306623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.306623 (E_RNA) where: Base-Base interactions energy: -1004.343 where: short stacking energy: -471.752 Base-Backbone interact. energy: -2.729 local terms energy: -511.234905 where: bonds (distance) C4'-P energy: -111.745 bonds (distance) P-C4' energy: -93.298 flat angles C4'-P-C4' energy: -119.016 flat angles P-C4'-P energy: -59.422 tors. eta vs tors. theta energy: -127.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1527.229557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.229557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.229557 (E_RNA) where: Base-Base interactions energy: -1028.751 where: short stacking energy: -442.256 Base-Backbone interact. energy: -1.571 local terms energy: -496.907417 where: bonds (distance) C4'-P energy: -102.570 bonds (distance) P-C4' energy: -78.647 flat angles C4'-P-C4' energy: -121.691 flat angles P-C4'-P energy: -79.012 tors. eta vs tors. theta energy: -114.988 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: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1343.937488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.937488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.937488 (E_RNA) where: Base-Base interactions energy: -856.473 where: short stacking energy: -406.883 Base-Backbone interact. energy: -0.779 local terms energy: -486.685514 where: bonds (distance) C4'-P energy: -103.741 bonds (distance) P-C4' energy: -99.120 flat angles C4'-P-C4' energy: -109.953 flat angles P-C4'-P energy: -76.466 tors. eta vs tors. theta energy: -97.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1221.895075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.895075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.895075 (E_RNA) where: Base-Base interactions energy: -777.155 where: short stacking energy: -351.458 Base-Backbone interact. energy: -1.990 local terms energy: -442.749336 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -109.042 flat angles C4'-P-C4' energy: -94.322 flat angles P-C4'-P energy: -56.619 tors. eta vs tors. theta energy: -90.909 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: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -888.278851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.278851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.278851 (E_RNA) where: Base-Base interactions energy: -473.993 where: short stacking energy: -250.887 Base-Backbone interact. energy: -1.907 local terms energy: -412.379220 where: bonds (distance) C4'-P energy: -109.674 bonds (distance) P-C4' energy: -102.033 flat angles C4'-P-C4' energy: -89.598 flat angles P-C4'-P energy: -60.374 tors. eta vs tors. theta energy: -50.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -764.366178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.366178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.366178 (E_RNA) where: Base-Base interactions energy: -423.897 where: short stacking energy: -226.428 Base-Backbone interact. energy: -1.361 local terms energy: -339.107632 where: bonds (distance) C4'-P energy: -86.541 bonds (distance) P-C4' energy: -94.167 flat angles C4'-P-C4' energy: -98.717 flat angles P-C4'-P energy: -46.964 tors. eta vs tors. theta energy: -12.718 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: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -604.827969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.827969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.827969 (E_RNA) where: Base-Base interactions energy: -280.454 where: short stacking energy: -189.856 Base-Backbone interact. energy: -2.458 local terms energy: -321.915663 where: bonds (distance) C4'-P energy: -78.398 bonds (distance) P-C4' energy: -98.270 flat angles C4'-P-C4' energy: -86.586 flat angles P-C4'-P energy: -45.768 tors. eta vs tors. theta energy: -12.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -422.055339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.055339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.055339 (E_RNA) where: Base-Base interactions energy: -153.166 where: short stacking energy: -122.880 Base-Backbone interact. energy: 0.717 local terms energy: -269.606555 where: bonds (distance) C4'-P energy: -74.272 bonds (distance) P-C4' energy: -99.139 flat angles C4'-P-C4' energy: -77.167 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: 22.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1790.578742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.578742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.578742 (E_RNA) where: Base-Base interactions energy: -1214.715 where: short stacking energy: -564.376 Base-Backbone interact. energy: -0.136 local terms energy: -575.727899 where: bonds (distance) C4'-P energy: -114.528 bonds (distance) P-C4' energy: -113.859 flat angles C4'-P-C4' energy: -114.638 flat angles P-C4'-P energy: -75.552 tors. eta vs tors. theta energy: -157.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1679.954479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.954479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.954479 (E_RNA) where: Base-Base interactions energy: -1135.895 where: short stacking energy: -478.018 Base-Backbone interact. energy: -3.411 local terms energy: -540.648683 where: bonds (distance) C4'-P energy: -100.753 bonds (distance) P-C4' energy: -106.149 flat angles C4'-P-C4' energy: -123.557 flat angles P-C4'-P energy: -80.136 tors. eta vs tors. theta energy: -130.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1510.916741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.916741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.916741 (E_RNA) where: Base-Base interactions energy: -983.123 where: short stacking energy: -471.513 Base-Backbone interact. energy: -3.098 local terms energy: -524.695468 where: bonds (distance) C4'-P energy: -102.935 bonds (distance) P-C4' energy: -94.822 flat angles C4'-P-C4' energy: -114.397 flat angles P-C4'-P energy: -77.910 tors. eta vs tors. theta energy: -134.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1506.148235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.148235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.148235 (E_RNA) where: Base-Base interactions energy: -992.169 where: short stacking energy: -439.223 Base-Backbone interact. energy: -1.264 local terms energy: -512.714308 where: bonds (distance) C4'-P energy: -96.907 bonds (distance) P-C4' energy: -115.382 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -77.906 tors. eta vs tors. theta energy: -112.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1376.345873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.345873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.345873 (E_RNA) where: Base-Base interactions energy: -906.193 where: short stacking energy: -423.263 Base-Backbone interact. energy: 0.368 local terms energy: -470.521111 where: bonds (distance) C4'-P energy: -86.464 bonds (distance) P-C4' energy: -102.400 flat angles C4'-P-C4' energy: -92.005 flat angles P-C4'-P energy: -82.368 tors. eta vs tors. theta energy: -107.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1220.497569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.497569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.497569 (E_RNA) where: Base-Base interactions energy: -776.621 where: short stacking energy: -350.473 Base-Backbone interact. energy: 1.981 local terms energy: -445.857626 where: bonds (distance) C4'-P energy: -100.016 bonds (distance) P-C4' energy: -105.456 flat angles C4'-P-C4' energy: -90.906 flat angles P-C4'-P energy: -69.749 tors. eta vs tors. theta energy: -79.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -913.110046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.110046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.110046 (E_RNA) where: Base-Base interactions energy: -519.965 where: short stacking energy: -289.130 Base-Backbone interact. energy: -0.374 local terms energy: -392.771532 where: bonds (distance) C4'-P energy: -109.760 bonds (distance) P-C4' energy: -89.487 flat angles C4'-P-C4' energy: -97.168 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -48.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -761.062733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.062733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.062733 (E_RNA) where: Base-Base interactions energy: -401.684 where: short stacking energy: -218.148 Base-Backbone interact. energy: 2.092 local terms energy: -361.471100 where: bonds (distance) C4'-P energy: -86.841 bonds (distance) P-C4' energy: -93.954 flat angles C4'-P-C4' energy: -100.116 flat angles P-C4'-P energy: -55.587 tors. eta vs tors. theta energy: -24.975 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: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -604.978496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.978496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.978496 (E_RNA) where: Base-Base interactions energy: -299.132 where: short stacking energy: -196.920 Base-Backbone interact. energy: 4.253 local terms energy: -310.099240 where: bonds (distance) C4'-P energy: -77.097 bonds (distance) P-C4' energy: -86.319 flat angles C4'-P-C4' energy: -75.825 flat angles P-C4'-P energy: -63.129 tors. eta vs tors. theta energy: -7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -472.563754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.563754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.563754 (E_RNA) where: Base-Base interactions energy: -190.926 where: short stacking energy: -162.730 Base-Backbone interact. energy: 1.206 local terms energy: -282.843800 where: bonds (distance) C4'-P energy: -73.664 bonds (distance) P-C4' energy: -90.892 flat angles C4'-P-C4' energy: -87.766 flat angles P-C4'-P energy: -31.154 tors. eta vs tors. theta energy: 0.632 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: 2 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1770.920570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.920570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.920570 (E_RNA) where: Base-Base interactions energy: -1211.087 where: short stacking energy: -550.103 Base-Backbone interact. energy: -1.078 local terms energy: -558.756222 where: bonds (distance) C4'-P energy: -102.054 bonds (distance) P-C4' energy: -106.933 flat angles C4'-P-C4' energy: -118.090 flat angles P-C4'-P energy: -77.466 tors. eta vs tors. theta energy: -154.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1682.185397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.185397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.185397 (E_RNA) where: Base-Base interactions energy: -1118.245 where: short stacking energy: -470.904 Base-Backbone interact. energy: -6.885 local terms energy: -557.055213 where: bonds (distance) C4'-P energy: -105.525 bonds (distance) P-C4' energy: -114.985 flat angles C4'-P-C4' energy: -122.395 flat angles P-C4'-P energy: -80.485 tors. eta vs tors. theta energy: -133.666 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: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1571.623313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.623313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.623313 (E_RNA) where: Base-Base interactions energy: -1046.966 where: short stacking energy: -475.058 Base-Backbone interact. energy: 0.184 local terms energy: -524.841753 where: bonds (distance) C4'-P energy: -103.416 bonds (distance) P-C4' energy: -97.062 flat angles C4'-P-C4' energy: -124.859 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -127.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1520.466429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.466429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.466429 (E_RNA) where: Base-Base interactions energy: -1005.994 where: short stacking energy: -470.379 Base-Backbone interact. energy: -2.797 local terms energy: -511.675156 where: bonds (distance) C4'-P energy: -100.248 bonds (distance) P-C4' energy: -102.392 flat angles C4'-P-C4' energy: -106.254 flat angles P-C4'-P energy: -77.487 tors. eta vs tors. theta energy: -125.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1360.957549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.957549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.957549 (E_RNA) where: Base-Base interactions energy: -891.199 where: short stacking energy: -392.882 Base-Backbone interact. energy: -0.497 local terms energy: -469.261672 where: bonds (distance) C4'-P energy: -89.223 bonds (distance) P-C4' energy: -89.372 flat angles C4'-P-C4' energy: -117.418 flat angles P-C4'-P energy: -69.519 tors. eta vs tors. theta energy: -103.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1195.195246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.195246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.195246 (E_RNA) where: Base-Base interactions energy: -774.265 where: short stacking energy: -327.501 Base-Backbone interact. energy: -0.078 local terms energy: -420.852368 where: bonds (distance) C4'-P energy: -96.581 bonds (distance) P-C4' energy: -98.601 flat angles C4'-P-C4' energy: -96.586 flat angles P-C4'-P energy: -62.412 tors. eta vs tors. theta energy: -66.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -925.605320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.605320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.605320 (E_RNA) where: Base-Base interactions energy: -513.179 where: short stacking energy: -250.866 Base-Backbone interact. energy: -1.248 local terms energy: -411.178627 where: bonds (distance) C4'-P energy: -106.265 bonds (distance) P-C4' energy: -91.366 flat angles C4'-P-C4' energy: -108.960 flat angles P-C4'-P energy: -58.311 tors. eta vs tors. theta energy: -46.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -746.382172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.382172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.382172 (E_RNA) where: Base-Base interactions energy: -387.790 where: short stacking energy: -190.816 Base-Backbone interact. energy: -0.336 local terms energy: -358.255719 where: bonds (distance) C4'-P energy: -83.495 bonds (distance) P-C4' energy: -93.955 flat angles C4'-P-C4' energy: -104.094 flat angles P-C4'-P energy: -53.141 tors. eta vs tors. theta energy: -23.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -653.471703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.471703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.471703 (E_RNA) where: Base-Base interactions energy: -334.090 where: short stacking energy: -195.488 Base-Backbone interact. energy: 0.970 local terms energy: -320.351704 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -93.852 flat angles C4'-P-C4' energy: -86.986 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -15.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -441.008446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.008446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.008446 (E_RNA) where: Base-Base interactions energy: -153.191 where: short stacking energy: -123.445 Base-Backbone interact. energy: 0.806 local terms energy: -288.622899 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -90.114 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -0.350 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: 2 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1807.933779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.933779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.933779 (E_RNA) where: Base-Base interactions energy: -1219.141 where: short stacking energy: -540.549 Base-Backbone interact. energy: -1.778 local terms energy: -587.015013 where: bonds (distance) C4'-P energy: -108.630 bonds (distance) P-C4' energy: -116.049 flat angles C4'-P-C4' energy: -129.908 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -151.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1669.951947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.951947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.951947 (E_RNA) where: Base-Base interactions energy: -1134.145 where: short stacking energy: -492.951 Base-Backbone interact. energy: 2.515 local terms energy: -538.322580 where: bonds (distance) C4'-P energy: -116.704 bonds (distance) P-C4' energy: -96.475 flat angles C4'-P-C4' energy: -105.993 flat angles P-C4'-P energy: -80.079 tors. eta vs tors. theta energy: -139.072 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: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1561.757167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.757167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.757167 (E_RNA) where: Base-Base interactions energy: -1030.496 where: short stacking energy: -454.865 Base-Backbone interact. energy: -2.372 local terms energy: -528.889304 where: bonds (distance) C4'-P energy: -112.348 bonds (distance) P-C4' energy: -107.928 flat angles C4'-P-C4' energy: -110.559 flat angles P-C4'-P energy: -77.722 tors. eta vs tors. theta energy: -120.332 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: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1494.314582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.314582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.314582 (E_RNA) where: Base-Base interactions energy: -1008.556 where: short stacking energy: -466.231 Base-Backbone interact. energy: -3.001 local terms energy: -482.756927 where: bonds (distance) C4'-P energy: -92.179 bonds (distance) P-C4' energy: -96.119 flat angles C4'-P-C4' energy: -107.687 flat angles P-C4'-P energy: -63.596 tors. eta vs tors. theta energy: -123.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1363.119841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.119841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.119841 (E_RNA) where: Base-Base interactions energy: -893.408 where: short stacking energy: -403.197 Base-Backbone interact. energy: -2.926 local terms energy: -466.785679 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -102.324 flat angles C4'-P-C4' energy: -109.098 flat angles P-C4'-P energy: -64.349 tors. eta vs tors. theta energy: -101.121 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: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1227.266850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.266850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.266850 (E_RNA) where: Base-Base interactions energy: -771.648 where: short stacking energy: -337.605 Base-Backbone interact. energy: 1.708 local terms energy: -457.326542 where: bonds (distance) C4'-P energy: -105.444 bonds (distance) P-C4' energy: -103.744 flat angles C4'-P-C4' energy: -91.568 flat angles P-C4'-P energy: -71.005 tors. eta vs tors. theta energy: -85.566 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: 7, replica: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -897.101170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.101170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.101170 (E_RNA) where: Base-Base interactions energy: -523.650 where: short stacking energy: -263.581 Base-Backbone interact. energy: -6.214 local terms energy: -367.236688 where: bonds (distance) C4'-P energy: -77.158 bonds (distance) P-C4' energy: -100.725 flat angles C4'-P-C4' energy: -93.114 flat angles P-C4'-P energy: -49.768 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: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -824.444070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.444070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.444070 (E_RNA) where: Base-Base interactions energy: -459.126 where: short stacking energy: -260.101 Base-Backbone interact. energy: -1.269 local terms energy: -364.049135 where: bonds (distance) C4'-P energy: -97.511 bonds (distance) P-C4' energy: -79.928 flat angles C4'-P-C4' energy: -96.619 flat angles P-C4'-P energy: -53.882 tors. eta vs tors. theta energy: -36.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -653.184728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.184728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.184728 (E_RNA) where: Base-Base interactions energy: -335.893 where: short stacking energy: -184.233 Base-Backbone interact. energy: -0.673 local terms energy: -316.619103 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -90.017 flat angles C4'-P-C4' energy: -85.478 flat angles P-C4'-P energy: -52.055 tors. eta vs tors. theta energy: -8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -434.838854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.838854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.838854 (E_RNA) where: Base-Base interactions energy: -157.457 where: short stacking energy: -129.909 Base-Backbone interact. energy: 2.184 local terms energy: -279.566627 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -95.344 flat angles C4'-P-C4' energy: -71.277 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: 11.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1781.910291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.910291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.910291 (E_RNA) where: Base-Base interactions energy: -1198.034 where: short stacking energy: -538.308 Base-Backbone interact. energy: -3.514 local terms energy: -580.362764 where: bonds (distance) C4'-P energy: -115.997 bonds (distance) P-C4' energy: -98.261 flat angles C4'-P-C4' energy: -120.464 flat angles P-C4'-P energy: -83.208 tors. eta vs tors. theta energy: -162.432 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: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1665.187042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.187042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.187042 (E_RNA) where: Base-Base interactions energy: -1128.450 where: short stacking energy: -481.738 Base-Backbone interact. energy: -4.162 local terms energy: -532.574993 where: bonds (distance) C4'-P energy: -103.336 bonds (distance) P-C4' energy: -101.715 flat angles C4'-P-C4' energy: -115.320 flat angles P-C4'-P energy: -77.405 tors. eta vs tors. theta energy: -134.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1551.730843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.730843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.730843 (E_RNA) where: Base-Base interactions energy: -1049.901 where: short stacking energy: -466.279 Base-Backbone interact. energy: 0.780 local terms energy: -502.609747 where: bonds (distance) C4'-P energy: -99.810 bonds (distance) P-C4' energy: -92.735 flat angles C4'-P-C4' energy: -123.047 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -118.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1463.199348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.199348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.199348 (E_RNA) where: Base-Base interactions energy: -957.126 where: short stacking energy: -444.345 Base-Backbone interact. energy: -0.054 local terms energy: -506.019678 where: bonds (distance) C4'-P energy: -107.835 bonds (distance) P-C4' energy: -104.380 flat angles C4'-P-C4' energy: -113.085 flat angles P-C4'-P energy: -56.325 tors. eta vs tors. theta energy: -124.394 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: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1350.632049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.632049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.632049 (E_RNA) where: Base-Base interactions energy: -873.642 where: short stacking energy: -404.921 Base-Backbone interact. energy: -1.491 local terms energy: -475.498422 where: bonds (distance) C4'-P energy: -104.452 bonds (distance) P-C4' energy: -90.484 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -76.094 tors. eta vs tors. theta energy: -107.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1255.550270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.550270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.550270 (E_RNA) where: Base-Base interactions energy: -807.889 where: short stacking energy: -387.288 Base-Backbone interact. energy: -4.132 local terms energy: -443.528838 where: bonds (distance) C4'-P energy: -91.235 bonds (distance) P-C4' energy: -103.694 flat angles C4'-P-C4' energy: -98.568 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: -102.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -906.741790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.741790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.741790 (E_RNA) where: Base-Base interactions energy: -494.917 where: short stacking energy: -256.839 Base-Backbone interact. energy: -1.239 local terms energy: -410.584974 where: bonds (distance) C4'-P energy: -82.400 bonds (distance) P-C4' energy: -119.606 flat angles C4'-P-C4' energy: -96.807 flat angles P-C4'-P energy: -61.901 tors. eta vs tors. theta energy: -49.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -812.276689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.276689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.276689 (E_RNA) where: Base-Base interactions energy: -455.151 where: short stacking energy: -249.634 Base-Backbone interact. energy: 3.632 local terms energy: -360.758423 where: bonds (distance) C4'-P energy: -82.534 bonds (distance) P-C4' energy: -110.622 flat angles C4'-P-C4' energy: -86.067 flat angles P-C4'-P energy: -49.330 tors. eta vs tors. theta energy: -32.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -734.056261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.056261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.056261 (E_RNA) where: Base-Base interactions energy: -400.424 where: short stacking energy: -200.049 Base-Backbone interact. energy: 0.288 local terms energy: -333.920189 where: bonds (distance) C4'-P energy: -87.474 bonds (distance) P-C4' energy: -74.858 flat angles C4'-P-C4' energy: -84.291 flat angles P-C4'-P energy: -64.802 tors. eta vs tors. theta energy: -22.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -447.251182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.251182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.251182 (E_RNA) where: Base-Base interactions energy: -136.546 where: short stacking energy: -121.526 Base-Backbone interact. energy: -1.015 local terms energy: -309.689330 where: bonds (distance) C4'-P energy: -103.845 bonds (distance) P-C4' energy: -93.684 flat angles C4'-P-C4' energy: -78.088 flat angles P-C4'-P energy: -44.831 tors. eta vs tors. theta energy: 10.759 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: 2 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1791.701778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.701778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.701778 (E_RNA) where: Base-Base interactions energy: -1215.621 where: short stacking energy: -531.377 Base-Backbone interact. energy: -3.339 local terms energy: -572.742204 where: bonds (distance) C4'-P energy: -117.209 bonds (distance) P-C4' energy: -100.903 flat angles C4'-P-C4' energy: -117.382 flat angles P-C4'-P energy: -89.473 tors. eta vs tors. theta energy: -147.775 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: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1669.507143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.507143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.507143 (E_RNA) where: Base-Base interactions energy: -1123.805 where: short stacking energy: -481.206 Base-Backbone interact. energy: -1.732 local terms energy: -543.969975 where: bonds (distance) C4'-P energy: -96.217 bonds (distance) P-C4' energy: -110.261 flat angles C4'-P-C4' energy: -120.244 flat angles P-C4'-P energy: -85.961 tors. eta vs tors. theta energy: -131.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1563.862439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.862439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.862439 (E_RNA) where: Base-Base interactions energy: -1038.139 where: short stacking energy: -466.448 Base-Backbone interact. energy: -3.169 local terms energy: -522.554648 where: bonds (distance) C4'-P energy: -102.820 bonds (distance) P-C4' energy: -104.013 flat angles C4'-P-C4' energy: -116.194 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: -123.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1457.989983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.989983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.989983 (E_RNA) where: Base-Base interactions energy: -949.713 where: short stacking energy: -450.103 Base-Backbone interact. energy: -3.535 local terms energy: -504.742168 where: bonds (distance) C4'-P energy: -95.693 bonds (distance) P-C4' energy: -102.835 flat angles C4'-P-C4' energy: -116.000 flat angles P-C4'-P energy: -75.859 tors. eta vs tors. theta energy: -114.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1352.852996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.852996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.852996 (E_RNA) where: Base-Base interactions energy: -898.759 where: short stacking energy: -398.376 Base-Backbone interact. energy: -2.234 local terms energy: -451.859887 where: bonds (distance) C4'-P energy: -103.369 bonds (distance) P-C4' energy: -106.452 flat angles C4'-P-C4' energy: -94.072 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -95.055 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: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1213.615487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.615487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.615487 (E_RNA) where: Base-Base interactions energy: -788.110 where: short stacking energy: -355.605 Base-Backbone interact. energy: -3.532 local terms energy: -421.973205 where: bonds (distance) C4'-P energy: -98.289 bonds (distance) P-C4' energy: -96.010 flat angles C4'-P-C4' energy: -98.578 flat angles P-C4'-P energy: -45.815 tors. eta vs tors. theta energy: -83.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -920.795375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.795375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.795375 (E_RNA) where: Base-Base interactions energy: -539.685 where: short stacking energy: -278.628 Base-Backbone interact. energy: -0.045 local terms energy: -381.065758 where: bonds (distance) C4'-P energy: -86.813 bonds (distance) P-C4' energy: -109.677 flat angles C4'-P-C4' energy: -78.401 flat angles P-C4'-P energy: -59.763 tors. eta vs tors. theta energy: -46.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -857.506851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.506851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.506851 (E_RNA) where: Base-Base interactions energy: -495.342 where: short stacking energy: -259.849 Base-Backbone interact. energy: -0.827 local terms energy: -361.337540 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -91.285 flat angles C4'-P-C4' energy: -85.537 flat angles P-C4'-P energy: -67.213 tors. eta vs tors. theta energy: -29.176 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: 195 Temperature: 1.300000 Total energy: -673.170604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.170604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.170604 (E_RNA) where: Base-Base interactions energy: -350.944 where: short stacking energy: -205.006 Base-Backbone interact. energy: 2.269 local terms energy: -324.495622 where: bonds (distance) C4'-P energy: -79.959 bonds (distance) P-C4' energy: -94.829 flat angles C4'-P-C4' energy: -85.978 flat angles P-C4'-P energy: -63.935 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -463.009803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.009803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.009803 (E_RNA) where: Base-Base interactions energy: -162.445 where: short stacking energy: -120.032 Base-Backbone interact. energy: 3.582 local terms energy: -304.146573 where: bonds (distance) C4'-P energy: -88.389 bonds (distance) P-C4' energy: -110.957 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -53.434 tors. eta vs tors. theta energy: 17.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1789.662139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.662139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.662139 (E_RNA) where: Base-Base interactions energy: -1198.547 where: short stacking energy: -537.130 Base-Backbone interact. energy: -1.386 local terms energy: -589.729229 where: bonds (distance) C4'-P energy: -104.021 bonds (distance) P-C4' energy: -116.651 flat angles C4'-P-C4' energy: -129.902 flat angles P-C4'-P energy: -89.863 tors. eta vs tors. theta energy: -149.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1653.495358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.495358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.495358 (E_RNA) where: Base-Base interactions energy: -1102.839 where: short stacking energy: -489.670 Base-Backbone interact. energy: -3.373 local terms energy: -547.284178 where: bonds (distance) C4'-P energy: -109.614 bonds (distance) P-C4' energy: -100.744 flat angles C4'-P-C4' energy: -122.362 flat angles P-C4'-P energy: -82.069 tors. eta vs tors. theta energy: -132.495 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: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1583.260663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.260663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.260663 (E_RNA) where: Base-Base interactions energy: -1051.751 where: short stacking energy: -478.443 Base-Backbone interact. energy: -0.079 local terms energy: -531.430149 where: bonds (distance) C4'-P energy: -100.956 bonds (distance) P-C4' energy: -112.570 flat angles C4'-P-C4' energy: -114.626 flat angles P-C4'-P energy: -71.306 tors. eta vs tors. theta energy: -131.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1461.398330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.398330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.398330 (E_RNA) where: Base-Base interactions energy: -950.915 where: short stacking energy: -455.737 Base-Backbone interact. energy: -3.243 local terms energy: -507.240641 where: bonds (distance) C4'-P energy: -106.672 bonds (distance) P-C4' energy: -104.083 flat angles C4'-P-C4' energy: -107.270 flat angles P-C4'-P energy: -68.235 tors. eta vs tors. theta energy: -120.982 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: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1335.979396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.979396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.979396 (E_RNA) where: Base-Base interactions energy: -859.542 where: short stacking energy: -417.297 Base-Backbone interact. energy: 0.517 local terms energy: -476.954734 where: bonds (distance) C4'-P energy: -98.147 bonds (distance) P-C4' energy: -99.163 flat angles C4'-P-C4' energy: -103.989 flat angles P-C4'-P energy: -68.931 tors. eta vs tors. theta energy: -106.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1230.993481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.993481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.993481 (E_RNA) where: Base-Base interactions energy: -773.314 where: short stacking energy: -333.892 Base-Backbone interact. energy: -3.151 local terms energy: -454.528494 where: bonds (distance) C4'-P energy: -101.901 bonds (distance) P-C4' energy: -91.918 flat angles C4'-P-C4' energy: -111.787 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -76.628 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: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -874.876687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.876687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.876687 (E_RNA) where: Base-Base interactions energy: -483.226 where: short stacking energy: -260.186 Base-Backbone interact. energy: -3.694 local terms energy: -387.956169 where: bonds (distance) C4'-P energy: -81.007 bonds (distance) P-C4' energy: -106.712 flat angles C4'-P-C4' energy: -108.468 flat angles P-C4'-P energy: -59.300 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: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -800.926442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.926442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.926442 (E_RNA) where: Base-Base interactions energy: -434.745 where: short stacking energy: -221.831 Base-Backbone interact. energy: 0.984 local terms energy: -367.165845 where: bonds (distance) C4'-P energy: -91.204 bonds (distance) P-C4' energy: -101.148 flat angles C4'-P-C4' energy: -84.347 flat angles P-C4'-P energy: -62.899 tors. eta vs tors. theta energy: -27.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -640.904244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.904244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.904244 (E_RNA) where: Base-Base interactions energy: -325.214 where: short stacking energy: -171.216 Base-Backbone interact. energy: 0.097 local terms energy: -315.787672 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -112.318 flat angles C4'-P-C4' energy: -76.334 flat angles P-C4'-P energy: -37.280 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: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -420.767182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.767182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.767182 (E_RNA) where: Base-Base interactions energy: -134.768 where: short stacking energy: -95.295 Base-Backbone interact. energy: -1.417 local terms energy: -284.581450 where: bonds (distance) C4'-P energy: -97.852 bonds (distance) P-C4' energy: -91.032 flat angles C4'-P-C4' energy: -77.680 flat angles P-C4'-P energy: -34.438 tors. eta vs tors. theta energy: 16.420 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: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1786.828850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.828850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.828850 (E_RNA) where: Base-Base interactions energy: -1236.625 where: short stacking energy: -534.303 Base-Backbone interact. energy: -2.489 local terms energy: -547.715102 where: bonds (distance) C4'-P energy: -103.787 bonds (distance) P-C4' energy: -100.508 flat angles C4'-P-C4' energy: -113.609 flat angles P-C4'-P energy: -79.897 tors. eta vs tors. theta energy: -149.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1646.638606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.638606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.638606 (E_RNA) where: Base-Base interactions energy: -1140.796 where: short stacking energy: -462.609 Base-Backbone interact. energy: -3.384 local terms energy: -502.458563 where: bonds (distance) C4'-P energy: -105.294 bonds (distance) P-C4' energy: -98.297 flat angles C4'-P-C4' energy: -103.587 flat angles P-C4'-P energy: -70.967 tors. eta vs tors. theta energy: -124.314 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: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1544.253360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.253360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.253360 (E_RNA) where: Base-Base interactions energy: -1029.773 where: short stacking energy: -451.476 Base-Backbone interact. energy: -2.870 local terms energy: -511.610676 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -100.228 flat angles C4'-P-C4' energy: -117.344 flat angles P-C4'-P energy: -80.983 tors. eta vs tors. theta energy: -110.174 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: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1422.061020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.061020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.061020 (E_RNA) where: Base-Base interactions energy: -907.488 where: short stacking energy: -426.079 Base-Backbone interact. energy: -1.280 local terms energy: -513.292932 where: bonds (distance) C4'-P energy: -110.002 bonds (distance) P-C4' energy: -103.037 flat angles C4'-P-C4' energy: -110.975 flat angles P-C4'-P energy: -79.457 tors. eta vs tors. theta energy: -109.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1325.684639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.684639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.684639 (E_RNA) where: Base-Base interactions energy: -850.246 where: short stacking energy: -411.345 Base-Backbone interact. energy: -4.992 local terms energy: -470.446106 where: bonds (distance) C4'-P energy: -102.586 bonds (distance) P-C4' energy: -97.246 flat angles C4'-P-C4' energy: -105.869 flat angles P-C4'-P energy: -66.083 tors. eta vs tors. theta energy: -98.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1252.120525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.120525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.120525 (E_RNA) where: Base-Base interactions energy: -805.022 where: short stacking energy: -348.696 Base-Backbone interact. energy: -1.443 local terms energy: -445.655260 where: bonds (distance) C4'-P energy: -83.023 bonds (distance) P-C4' energy: -102.121 flat angles C4'-P-C4' energy: -114.011 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -80.546 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: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -861.849792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.849792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.849792 (E_RNA) where: Base-Base interactions energy: -499.902 where: short stacking energy: -252.597 Base-Backbone interact. energy: 4.821 local terms energy: -366.768132 where: bonds (distance) C4'-P energy: -98.508 bonds (distance) P-C4' energy: -95.960 flat angles C4'-P-C4' energy: -90.108 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -39.235 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -791.458643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.458643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.458643 (E_RNA) where: Base-Base interactions energy: -434.862 where: short stacking energy: -234.518 Base-Backbone interact. energy: -2.640 local terms energy: -353.956650 where: bonds (distance) C4'-P energy: -100.843 bonds (distance) P-C4' energy: -79.429 flat angles C4'-P-C4' energy: -76.169 flat angles P-C4'-P energy: -58.510 tors. eta vs tors. theta energy: -39.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -662.672985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.672985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.672985 (E_RNA) where: Base-Base interactions energy: -319.056 where: short stacking energy: -186.481 Base-Backbone interact. energy: -1.159 local terms energy: -342.457633 where: bonds (distance) C4'-P energy: -100.756 bonds (distance) P-C4' energy: -93.569 flat angles C4'-P-C4' energy: -96.656 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -446.345981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.345981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.345981 (E_RNA) where: Base-Base interactions energy: -152.919 where: short stacking energy: -118.357 Base-Backbone interact. energy: 3.491 local terms energy: -296.918624 where: bonds (distance) C4'-P energy: -76.969 bonds (distance) P-C4' energy: -90.518 flat angles C4'-P-C4' energy: -79.933 flat angles P-C4'-P energy: -57.584 tors. eta vs tors. theta energy: 8.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1779.107638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.107638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.107638 (E_RNA) where: Base-Base interactions energy: -1214.431 where: short stacking energy: -535.943 Base-Backbone interact. energy: -2.637 local terms energy: -562.038976 where: bonds (distance) C4'-P energy: -102.131 bonds (distance) P-C4' energy: -103.715 flat angles C4'-P-C4' energy: -128.929 flat angles P-C4'-P energy: -77.902 tors. eta vs tors. theta energy: -149.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1665.254494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.254494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.254494 (E_RNA) where: Base-Base interactions energy: -1132.677 where: short stacking energy: -488.253 Base-Backbone interact. energy: -2.590 local terms energy: -529.986839 where: bonds (distance) C4'-P energy: -85.139 bonds (distance) P-C4' energy: -120.457 flat angles C4'-P-C4' energy: -125.189 flat angles P-C4'-P energy: -73.990 tors. eta vs tors. theta energy: -125.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1553.695844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.695844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.695844 (E_RNA) where: Base-Base interactions energy: -1036.041 where: short stacking energy: -475.712 Base-Backbone interact. energy: 1.303 local terms energy: -518.957250 where: bonds (distance) C4'-P energy: -96.187 bonds (distance) P-C4' energy: -98.951 flat angles C4'-P-C4' energy: -124.572 flat angles P-C4'-P energy: -73.410 tors. eta vs tors. theta energy: -125.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1408.769359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.769359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.769359 (E_RNA) where: Base-Base interactions energy: -934.870 where: short stacking energy: -450.786 Base-Backbone interact. energy: -4.870 local terms energy: -469.029329 where: bonds (distance) C4'-P energy: -107.038 bonds (distance) P-C4' energy: -80.832 flat angles C4'-P-C4' energy: -101.670 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: -107.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1339.565335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.565335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.565335 (E_RNA) where: Base-Base interactions energy: -853.439 where: short stacking energy: -406.238 Base-Backbone interact. energy: -4.669 local terms energy: -481.457476 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -116.638 flat angles P-C4'-P energy: -82.442 tors. eta vs tors. theta energy: -94.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1203.278045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.278045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.278045 (E_RNA) where: Base-Base interactions energy: -789.228 where: short stacking energy: -371.664 Base-Backbone interact. energy: -0.371 local terms energy: -413.679085 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -98.357 flat angles C4'-P-C4' energy: -106.651 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -86.427 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: 9 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -923.579920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.579920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.579920 (E_RNA) where: Base-Base interactions energy: -549.831 where: short stacking energy: -280.853 Base-Backbone interact. energy: 0.753 local terms energy: -374.502294 where: bonds (distance) C4'-P energy: -95.750 bonds (distance) P-C4' energy: -86.963 flat angles C4'-P-C4' energy: -82.180 flat angles P-C4'-P energy: -55.958 tors. eta vs tors. theta energy: -53.652 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: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -798.413631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.413631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.413631 (E_RNA) where: Base-Base interactions energy: -446.507 where: short stacking energy: -240.620 Base-Backbone interact. energy: 0.652 local terms energy: -352.558481 where: bonds (distance) C4'-P energy: -90.407 bonds (distance) P-C4' energy: -100.076 flat angles C4'-P-C4' energy: -87.764 flat angles P-C4'-P energy: -45.219 tors. eta vs tors. theta energy: -29.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -696.979940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.979940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.979940 (E_RNA) where: Base-Base interactions energy: -361.652 where: short stacking energy: -210.964 Base-Backbone interact. energy: -0.079 local terms energy: -335.248928 where: bonds (distance) C4'-P energy: -77.093 bonds (distance) P-C4' energy: -94.246 flat angles C4'-P-C4' energy: -99.641 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -17.000 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: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -416.693308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.693308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.693308 (E_RNA) where: Base-Base interactions energy: -163.762 where: short stacking energy: -132.017 Base-Backbone interact. energy: -0.429 local terms energy: -252.502230 where: bonds (distance) C4'-P energy: -80.035 bonds (distance) P-C4' energy: -91.663 flat angles C4'-P-C4' energy: -52.433 flat angles P-C4'-P energy: -37.967 tors. eta vs tors. theta energy: 9.595 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: 2 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1766.364516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.364516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.364516 (E_RNA) where: Base-Base interactions energy: -1190.519 where: short stacking energy: -543.112 Base-Backbone interact. energy: 0.838 local terms energy: -576.683397 where: bonds (distance) C4'-P energy: -115.919 bonds (distance) P-C4' energy: -108.128 flat angles C4'-P-C4' energy: -118.861 flat angles P-C4'-P energy: -81.067 tors. eta vs tors. theta energy: -152.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1685.716814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.716814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.716814 (E_RNA) where: Base-Base interactions energy: -1133.557 where: short stacking energy: -483.714 Base-Backbone interact. energy: -5.116 local terms energy: -547.044035 where: bonds (distance) C4'-P energy: -112.661 bonds (distance) P-C4' energy: -101.606 flat angles C4'-P-C4' energy: -117.794 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -142.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1560.729249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.729249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.729249 (E_RNA) where: Base-Base interactions energy: -1042.377 where: short stacking energy: -455.176 Base-Backbone interact. energy: -0.325 local terms energy: -518.026880 where: bonds (distance) C4'-P energy: -112.573 bonds (distance) P-C4' energy: -104.147 flat angles C4'-P-C4' energy: -111.083 flat angles P-C4'-P energy: -72.280 tors. eta vs tors. theta energy: -117.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1368.896716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.896716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.896716 (E_RNA) where: Base-Base interactions energy: -906.747 where: short stacking energy: -390.968 Base-Backbone interact. energy: -2.640 local terms energy: -459.509320 where: bonds (distance) C4'-P energy: -75.940 bonds (distance) P-C4' energy: -106.771 flat angles C4'-P-C4' energy: -108.070 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: -100.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1276.887394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.887394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.887394 (E_RNA) where: Base-Base interactions energy: -807.005 where: short stacking energy: -350.107 Base-Backbone interact. energy: -1.427 local terms energy: -468.455248 where: bonds (distance) C4'-P energy: -104.121 bonds (distance) P-C4' energy: -104.204 flat angles C4'-P-C4' energy: -101.655 flat angles P-C4'-P energy: -70.174 tors. eta vs tors. theta energy: -88.301 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: 199 Temperature: 1.150000 Total energy: -1157.637179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.637179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.637179 (E_RNA) where: Base-Base interactions energy: -738.243 where: short stacking energy: -355.782 Base-Backbone interact. energy: -1.687 local terms energy: -417.707000 where: bonds (distance) C4'-P energy: -93.824 bonds (distance) P-C4' energy: -88.900 flat angles C4'-P-C4' energy: -97.270 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -71.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -897.167938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.167938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.167938 (E_RNA) where: Base-Base interactions energy: -507.865 where: short stacking energy: -259.994 Base-Backbone interact. energy: -3.799 local terms energy: -385.504038 where: bonds (distance) C4'-P energy: -94.123 bonds (distance) P-C4' energy: -107.897 flat angles C4'-P-C4' energy: -102.985 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -33.277 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: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -787.453879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.453879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.453879 (E_RNA) where: Base-Base interactions energy: -450.693 where: short stacking energy: -247.601 Base-Backbone interact. energy: -1.587 local terms energy: -335.174045 where: bonds (distance) C4'-P energy: -85.423 bonds (distance) P-C4' energy: -88.857 flat angles C4'-P-C4' energy: -95.670 flat angles P-C4'-P energy: -38.945 tors. eta vs tors. theta energy: -26.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -686.926694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.926694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.926694 (E_RNA) where: Base-Base interactions energy: -364.748 where: short stacking energy: -190.743 Base-Backbone interact. energy: -1.966 local terms energy: -320.212543 where: bonds (distance) C4'-P energy: -90.472 bonds (distance) P-C4' energy: -94.581 flat angles C4'-P-C4' energy: -73.491 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -10.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -487.620807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.620807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.620807 (E_RNA) where: Base-Base interactions energy: -232.875 where: short stacking energy: -155.719 Base-Backbone interact. energy: -0.812 local terms energy: -253.933529 where: bonds (distance) C4'-P energy: -72.598 bonds (distance) P-C4' energy: -86.221 flat angles C4'-P-C4' energy: -76.493 flat angles P-C4'-P energy: -26.802 tors. eta vs tors. theta energy: 8.180 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: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1765.047943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.047943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.047943 (E_RNA) where: Base-Base interactions energy: -1190.649 where: short stacking energy: -519.119 Base-Backbone interact. energy: -2.847 local terms energy: -571.552172 where: bonds (distance) C4'-P energy: -119.078 bonds (distance) P-C4' energy: -104.896 flat angles C4'-P-C4' energy: -117.340 flat angles P-C4'-P energy: -89.618 tors. eta vs tors. theta energy: -140.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1714.852628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.852628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.852628 (E_RNA) where: Base-Base interactions energy: -1161.287 where: short stacking energy: -502.594 Base-Backbone interact. energy: -2.057 local terms energy: -551.509223 where: bonds (distance) C4'-P energy: -105.212 bonds (distance) P-C4' energy: -105.226 flat angles C4'-P-C4' energy: -112.686 flat angles P-C4'-P energy: -84.408 tors. eta vs tors. theta energy: -143.977 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: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1572.215383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.215383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.215383 (E_RNA) where: Base-Base interactions energy: -1064.560 where: short stacking energy: -472.503 Base-Backbone interact. energy: -2.044 local terms energy: -505.611696 where: bonds (distance) C4'-P energy: -94.452 bonds (distance) P-C4' energy: -107.327 flat angles C4'-P-C4' energy: -110.728 flat angles P-C4'-P energy: -65.217 tors. eta vs tors. theta energy: -127.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1417.183554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.183554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.183554 (E_RNA) where: Base-Base interactions energy: -928.608 where: short stacking energy: -419.441 Base-Backbone interact. energy: 1.227 local terms energy: -489.802411 where: bonds (distance) C4'-P energy: -95.108 bonds (distance) P-C4' energy: -108.051 flat angles C4'-P-C4' energy: -104.976 flat angles P-C4'-P energy: -75.938 tors. eta vs tors. theta energy: -105.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1342.999257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.999257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.999257 (E_RNA) where: Base-Base interactions energy: -855.956 where: short stacking energy: -408.511 Base-Backbone interact. energy: -3.424 local terms energy: -483.618702 where: bonds (distance) C4'-P energy: -103.238 bonds (distance) P-C4' energy: -94.357 flat angles C4'-P-C4' energy: -112.350 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -102.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1160.637383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.637383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.637383 (E_RNA) where: Base-Base interactions energy: -725.629 where: short stacking energy: -334.483 Base-Backbone interact. energy: -3.017 local terms energy: -431.991506 where: bonds (distance) C4'-P energy: -85.952 bonds (distance) P-C4' energy: -99.776 flat angles C4'-P-C4' energy: -110.498 flat angles P-C4'-P energy: -67.861 tors. eta vs tors. theta energy: -67.904 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: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -889.008550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.008550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.008550 (E_RNA) where: Base-Base interactions energy: -509.991 where: short stacking energy: -268.939 Base-Backbone interact. energy: -1.545 local terms energy: -377.472446 where: bonds (distance) C4'-P energy: -104.068 bonds (distance) P-C4' energy: -94.140 flat angles C4'-P-C4' energy: -96.915 flat angles P-C4'-P energy: -49.002 tors. eta vs tors. theta energy: -33.348 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: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -806.895616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.895616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.895616 (E_RNA) where: Base-Base interactions energy: -448.924 where: short stacking energy: -236.103 Base-Backbone interact. energy: 0.593 local terms energy: -358.564866 where: bonds (distance) C4'-P energy: -79.293 bonds (distance) P-C4' energy: -100.272 flat angles C4'-P-C4' energy: -86.774 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: -36.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -710.212804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.212804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.212804 (E_RNA) where: Base-Base interactions energy: -400.775 where: short stacking energy: -215.085 Base-Backbone interact. energy: 3.272 local terms energy: -312.709968 where: bonds (distance) C4'-P energy: -98.693 bonds (distance) P-C4' energy: -78.130 flat angles C4'-P-C4' energy: -65.385 flat angles P-C4'-P energy: -54.638 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -425.936913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.936913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.936913 (E_RNA) where: Base-Base interactions energy: -142.251 where: short stacking energy: -111.583 Base-Backbone interact. energy: -3.700 local terms energy: -279.986485 where: bonds (distance) C4'-P energy: -97.657 bonds (distance) P-C4' energy: -95.349 flat angles C4'-P-C4' energy: -79.126 flat angles P-C4'-P energy: -36.422 tors. eta vs tors. theta energy: 28.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1778.057640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.057640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.057640 (E_RNA) where: Base-Base interactions energy: -1195.709 where: short stacking energy: -539.772 Base-Backbone interact. energy: 0.787 local terms energy: -583.135774 where: bonds (distance) C4'-P energy: -99.463 bonds (distance) P-C4' energy: -110.444 flat angles C4'-P-C4' energy: -116.047 flat angles P-C4'-P energy: -90.472 tors. eta vs tors. theta energy: -166.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1733.296032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.296032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.296032 (E_RNA) where: Base-Base interactions energy: -1175.430 where: short stacking energy: -497.529 Base-Backbone interact. energy: -3.383 local terms energy: -554.483409 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -114.856 flat angles C4'-P-C4' energy: -112.131 flat angles P-C4'-P energy: -76.782 tors. eta vs tors. theta energy: -148.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1572.280890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.280890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.280890 (E_RNA) where: Base-Base interactions energy: -1063.757 where: short stacking energy: -461.130 Base-Backbone interact. energy: -0.095 local terms energy: -508.428639 where: bonds (distance) C4'-P energy: -112.704 bonds (distance) P-C4' energy: -97.895 flat angles C4'-P-C4' energy: -116.509 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -122.494 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: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1407.467310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.467310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.467310 (E_RNA) where: Base-Base interactions energy: -918.835 where: short stacking energy: -452.608 Base-Backbone interact. energy: 0.021 local terms energy: -488.653253 where: bonds (distance) C4'-P energy: -90.184 bonds (distance) P-C4' energy: -90.927 flat angles C4'-P-C4' energy: -122.571 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -119.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1298.502467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.502467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.502467 (E_RNA) where: Base-Base interactions energy: -828.319 where: short stacking energy: -400.290 Base-Backbone interact. energy: -4.812 local terms energy: -465.371136 where: bonds (distance) C4'-P energy: -86.879 bonds (distance) P-C4' energy: -98.185 flat angles C4'-P-C4' energy: -109.933 flat angles P-C4'-P energy: -69.259 tors. eta vs tors. theta energy: -101.115 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: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1187.856544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.856544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.856544 (E_RNA) where: Base-Base interactions energy: -760.606 where: short stacking energy: -347.165 Base-Backbone interact. energy: -3.416 local terms energy: -423.834402 where: bonds (distance) C4'-P energy: -83.466 bonds (distance) P-C4' energy: -99.173 flat angles C4'-P-C4' energy: -102.611 flat angles P-C4'-P energy: -61.057 tors. eta vs tors. theta energy: -77.527 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: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -858.056460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.056460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.056460 (E_RNA) where: Base-Base interactions energy: -470.186 where: short stacking energy: -251.955 Base-Backbone interact. energy: -2.115 local terms energy: -385.755015 where: bonds (distance) C4'-P energy: -103.374 bonds (distance) P-C4' energy: -104.178 flat angles C4'-P-C4' energy: -93.719 flat angles P-C4'-P energy: -54.810 tors. eta vs tors. theta energy: -29.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -816.194718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.194718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.194718 (E_RNA) where: Base-Base interactions energy: -462.559 where: short stacking energy: -243.409 Base-Backbone interact. energy: 3.077 local terms energy: -356.713014 where: bonds (distance) C4'-P energy: -89.159 bonds (distance) P-C4' energy: -98.376 flat angles C4'-P-C4' energy: -97.068 flat angles P-C4'-P energy: -41.027 tors. eta vs tors. theta energy: -31.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -674.660474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.660474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.660474 (E_RNA) where: Base-Base interactions energy: -341.910 where: short stacking energy: -173.281 Base-Backbone interact. energy: 1.925 local terms energy: -334.675237 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -101.598 flat angles C4'-P-C4' energy: -91.973 flat angles P-C4'-P energy: -43.889 tors. eta vs tors. theta energy: -13.544 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: 201 Temperature: 1.350000 Total energy: -445.566853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.566853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.566853 (E_RNA) where: Base-Base interactions energy: -185.137 where: short stacking energy: -151.434 Base-Backbone interact. energy: -2.307 local terms energy: -258.123148 where: bonds (distance) C4'-P energy: -76.783 bonds (distance) P-C4' energy: -75.548 flat angles C4'-P-C4' energy: -78.185 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: 13.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1793.789298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.789298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.789298 (E_RNA) where: Base-Base interactions energy: -1216.067 where: short stacking energy: -518.098 Base-Backbone interact. energy: -2.196 local terms energy: -575.526664 where: bonds (distance) C4'-P energy: -105.503 bonds (distance) P-C4' energy: -111.826 flat angles C4'-P-C4' energy: -122.871 flat angles P-C4'-P energy: -86.629 tors. eta vs tors. theta energy: -148.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1723.029783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.029783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.029783 (E_RNA) where: Base-Base interactions energy: -1170.387 where: short stacking energy: -495.048 Base-Backbone interact. energy: -4.617 local terms energy: -548.025947 where: bonds (distance) C4'-P energy: -98.786 bonds (distance) P-C4' energy: -113.303 flat angles C4'-P-C4' energy: -106.632 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -153.634 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: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1567.103154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.103154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.103154 (E_RNA) where: Base-Base interactions energy: -1038.216 where: short stacking energy: -458.190 Base-Backbone interact. energy: 0.155 local terms energy: -529.042685 where: bonds (distance) C4'-P energy: -105.694 bonds (distance) P-C4' energy: -118.536 flat angles C4'-P-C4' energy: -98.943 flat angles P-C4'-P energy: -83.765 tors. eta vs tors. theta energy: -122.105 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: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1416.122002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.122002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.122002 (E_RNA) where: Base-Base interactions energy: -918.151 where: short stacking energy: -453.359 Base-Backbone interact. energy: -1.744 local terms energy: -496.226951 where: bonds (distance) C4'-P energy: -94.300 bonds (distance) P-C4' energy: -105.693 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -69.503 tors. eta vs tors. theta energy: -116.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1299.712332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.712332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.712332 (E_RNA) where: Base-Base interactions energy: -828.768 where: short stacking energy: -403.933 Base-Backbone interact. energy: -5.746 local terms energy: -465.198902 where: bonds (distance) C4'-P energy: -103.037 bonds (distance) P-C4' energy: -100.485 flat angles C4'-P-C4' energy: -101.860 flat angles P-C4'-P energy: -65.756 tors. eta vs tors. theta energy: -94.060 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: 6, replica: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1194.195342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.195342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.195342 (E_RNA) where: Base-Base interactions energy: -740.614 where: short stacking energy: -339.005 Base-Backbone interact. energy: -3.705 local terms energy: -449.876940 where: bonds (distance) C4'-P energy: -97.758 bonds (distance) P-C4' energy: -107.069 flat angles C4'-P-C4' energy: -110.188 flat angles P-C4'-P energy: -51.952 tors. eta vs tors. theta energy: -82.909 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: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -876.380125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.380125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.380125 (E_RNA) where: Base-Base interactions energy: -510.209 where: short stacking energy: -259.691 Base-Backbone interact. energy: -1.506 local terms energy: -364.665987 where: bonds (distance) C4'-P energy: -100.943 bonds (distance) P-C4' energy: -98.513 flat angles C4'-P-C4' energy: -79.416 flat angles P-C4'-P energy: -51.760 tors. eta vs tors. theta energy: -34.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -790.316081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.316081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.316081 (E_RNA) where: Base-Base interactions energy: -436.986 where: short stacking energy: -240.977 Base-Backbone interact. energy: -3.090 local terms energy: -350.240627 where: bonds (distance) C4'-P energy: -98.559 bonds (distance) P-C4' energy: -75.996 flat angles C4'-P-C4' energy: -94.217 flat angles P-C4'-P energy: -57.762 tors. eta vs tors. theta energy: -23.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -669.982949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.982949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.982949 (E_RNA) where: Base-Base interactions energy: -338.699 where: short stacking energy: -202.833 Base-Backbone interact. energy: 3.632 local terms energy: -334.915631 where: bonds (distance) C4'-P energy: -81.836 bonds (distance) P-C4' energy: -87.197 flat angles C4'-P-C4' energy: -90.838 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -22.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -439.804135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.804135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.804135 (E_RNA) where: Base-Base interactions energy: -144.824 where: short stacking energy: -110.662 Base-Backbone interact. energy: -1.771 local terms energy: -293.208807 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -100.131 flat angles C4'-P-C4' energy: -76.772 flat angles P-C4'-P energy: -40.986 tors. eta vs tors. theta energy: 19.711 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: 1, replica: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1772.834577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.834577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.834577 (E_RNA) where: Base-Base interactions energy: -1192.344 where: short stacking energy: -539.938 Base-Backbone interact. energy: -4.397 local terms energy: -576.093733 where: bonds (distance) C4'-P energy: -109.370 bonds (distance) P-C4' energy: -106.301 flat angles C4'-P-C4' energy: -111.756 flat angles P-C4'-P energy: -92.036 tors. eta vs tors. theta energy: -156.630 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: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1703.022220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.022220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.022220 (E_RNA) where: Base-Base interactions energy: -1170.773 where: short stacking energy: -504.835 Base-Backbone interact. energy: -2.870 local terms energy: -529.379068 where: bonds (distance) C4'-P energy: -99.941 bonds (distance) P-C4' energy: -95.774 flat angles C4'-P-C4' energy: -121.370 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -134.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1553.434321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.434321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.434321 (E_RNA) where: Base-Base interactions energy: -1013.733 where: short stacking energy: -457.312 Base-Backbone interact. energy: -2.729 local terms energy: -536.972107 where: bonds (distance) C4'-P energy: -108.395 bonds (distance) P-C4' energy: -98.402 flat angles C4'-P-C4' energy: -114.684 flat angles P-C4'-P energy: -82.000 tors. eta vs tors. theta energy: -133.491 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: 203 Temperature: 1.050000 Total energy: -1390.559343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.559343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.559343 (E_RNA) where: Base-Base interactions energy: -897.233 where: short stacking energy: -406.814 Base-Backbone interact. energy: -1.910 local terms energy: -491.416398 where: bonds (distance) C4'-P energy: -107.927 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -118.568 flat angles P-C4'-P energy: -63.415 tors. eta vs tors. theta energy: -107.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1284.156728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.156728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.156728 (E_RNA) where: Base-Base interactions energy: -843.417 where: short stacking energy: -390.839 Base-Backbone interact. energy: -2.736 local terms energy: -438.003904 where: bonds (distance) C4'-P energy: -101.226 bonds (distance) P-C4' energy: -91.418 flat angles C4'-P-C4' energy: -86.092 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: -96.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1205.074168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.074168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.074168 (E_RNA) where: Base-Base interactions energy: -750.140 where: short stacking energy: -348.746 Base-Backbone interact. energy: -1.569 local terms energy: -453.365182 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -102.337 flat angles C4'-P-C4' energy: -105.798 flat angles P-C4'-P energy: -71.584 tors. eta vs tors. theta energy: -83.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -913.275058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.275058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.275058 (E_RNA) where: Base-Base interactions energy: -513.587 where: short stacking energy: -289.277 Base-Backbone interact. energy: -2.069 local terms energy: -397.619530 where: bonds (distance) C4'-P energy: -106.711 bonds (distance) P-C4' energy: -102.103 flat angles C4'-P-C4' energy: -91.474 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: -37.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -803.143027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.143027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.143027 (E_RNA) where: Base-Base interactions energy: -454.162 where: short stacking energy: -247.888 Base-Backbone interact. energy: -0.191 local terms energy: -348.790091 where: bonds (distance) C4'-P energy: -89.288 bonds (distance) P-C4' energy: -86.387 flat angles C4'-P-C4' energy: -82.351 flat angles P-C4'-P energy: -61.063 tors. eta vs tors. theta energy: -29.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -684.690235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.690235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.690235 (E_RNA) where: Base-Base interactions energy: -361.479 where: short stacking energy: -196.246 Base-Backbone interact. energy: 2.744 local terms energy: -325.955194 where: bonds (distance) C4'-P energy: -85.762 bonds (distance) P-C4' energy: -83.939 flat angles C4'-P-C4' energy: -90.840 flat angles P-C4'-P energy: -53.205 tors. eta vs tors. theta energy: -12.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -423.859654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.859654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.859654 (E_RNA) where: Base-Base interactions energy: -154.538 where: short stacking energy: -138.377 Base-Backbone interact. energy: 2.880 local terms energy: -272.201985 where: bonds (distance) C4'-P energy: -87.486 bonds (distance) P-C4' energy: -86.688 flat angles C4'-P-C4' energy: -59.805 flat angles P-C4'-P energy: -50.530 tors. eta vs tors. theta energy: 12.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1798.973188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.973188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.973188 (E_RNA) where: Base-Base interactions energy: -1204.973 where: short stacking energy: -551.129 Base-Backbone interact. energy: 2.938 local terms energy: -596.938421 where: bonds (distance) C4'-P energy: -105.818 bonds (distance) P-C4' energy: -117.091 flat angles C4'-P-C4' energy: -126.507 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -157.100 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: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1671.019359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.019359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.019359 (E_RNA) where: Base-Base interactions energy: -1126.832 where: short stacking energy: -467.607 Base-Backbone interact. energy: -5.256 local terms energy: -538.931441 where: bonds (distance) C4'-P energy: -106.603 bonds (distance) P-C4' energy: -111.239 flat angles C4'-P-C4' energy: -122.816 flat angles P-C4'-P energy: -69.918 tors. eta vs tors. theta energy: -128.355 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: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1579.055713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.055713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.055713 (E_RNA) where: Base-Base interactions energy: -1048.370 where: short stacking energy: -486.151 Base-Backbone interact. energy: -0.109 local terms energy: -530.575889 where: bonds (distance) C4'-P energy: -97.953 bonds (distance) P-C4' energy: -104.448 flat angles C4'-P-C4' energy: -114.040 flat angles P-C4'-P energy: -79.015 tors. eta vs tors. theta energy: -135.120 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: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1436.729810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.729810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.729810 (E_RNA) where: Base-Base interactions energy: -970.210 where: short stacking energy: -466.993 Base-Backbone interact. energy: 4.266 local terms energy: -470.786020 where: bonds (distance) C4'-P energy: -93.725 bonds (distance) P-C4' energy: -90.995 flat angles C4'-P-C4' energy: -102.926 flat angles P-C4'-P energy: -70.796 tors. eta vs tors. theta energy: -112.344 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: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1302.559394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.559394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.559394 (E_RNA) where: Base-Base interactions energy: -845.881 where: short stacking energy: -403.134 Base-Backbone interact. energy: -0.828 local terms energy: -455.850080 where: bonds (distance) C4'-P energy: -87.805 bonds (distance) P-C4' energy: -96.965 flat angles C4'-P-C4' energy: -108.572 flat angles P-C4'-P energy: -68.419 tors. eta vs tors. theta energy: -94.090 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: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1161.531061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.531061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.531061 (E_RNA) where: Base-Base interactions energy: -728.204 where: short stacking energy: -325.624 Base-Backbone interact. energy: 1.115 local terms energy: -434.442059 where: bonds (distance) C4'-P energy: -84.948 bonds (distance) P-C4' energy: -92.406 flat angles C4'-P-C4' energy: -114.512 flat angles P-C4'-P energy: -60.367 tors. eta vs tors. theta energy: -82.209 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: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -835.408430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.408430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.408430 (E_RNA) where: Base-Base interactions energy: -467.687 where: short stacking energy: -239.927 Base-Backbone interact. energy: 1.350 local terms energy: -369.071607 where: bonds (distance) C4'-P energy: -95.505 bonds (distance) P-C4' energy: -99.382 flat angles C4'-P-C4' energy: -87.725 flat angles P-C4'-P energy: -48.373 tors. eta vs tors. theta energy: -38.087 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: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -801.372795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.372795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.372795 (E_RNA) where: Base-Base interactions energy: -454.904 where: short stacking energy: -237.470 Base-Backbone interact. energy: -0.906 local terms energy: -345.562700 where: bonds (distance) C4'-P energy: -76.213 bonds (distance) P-C4' energy: -95.002 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: -32.970 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: 204 Temperature: 1.300000 Total energy: -640.460612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.460612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.460612 (E_RNA) where: Base-Base interactions energy: -328.980 where: short stacking energy: -185.184 Base-Backbone interact. energy: -1.266 local terms energy: -310.214755 where: bonds (distance) C4'-P energy: -82.282 bonds (distance) P-C4' energy: -99.120 flat angles C4'-P-C4' energy: -68.294 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -14.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -429.198044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.198044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.198044 (E_RNA) where: Base-Base interactions energy: -164.426 where: short stacking energy: -146.258 Base-Backbone interact. energy: -1.581 local terms energy: -263.190482 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -82.209 flat angles C4'-P-C4' energy: -71.696 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: 8.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1785.182049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.182049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.182049 (E_RNA) where: Base-Base interactions energy: -1215.616 where: short stacking energy: -541.576 Base-Backbone interact. energy: -1.873 local terms energy: -567.692775 where: bonds (distance) C4'-P energy: -98.603 bonds (distance) P-C4' energy: -112.068 flat angles C4'-P-C4' energy: -119.570 flat angles P-C4'-P energy: -88.706 tors. eta vs tors. theta energy: -148.745 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: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1677.282985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.282985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.282985 (E_RNA) where: Base-Base interactions energy: -1130.289 where: short stacking energy: -504.894 Base-Backbone interact. energy: -3.642 local terms energy: -543.352587 where: bonds (distance) C4'-P energy: -99.922 bonds (distance) P-C4' energy: -115.447 flat angles C4'-P-C4' energy: -118.912 flat angles P-C4'-P energy: -73.480 tors. eta vs tors. theta energy: -135.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1553.400391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.400391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.400391 (E_RNA) where: Base-Base interactions energy: -1012.507 where: short stacking energy: -485.389 Base-Backbone interact. energy: -4.126 local terms energy: -536.767940 where: bonds (distance) C4'-P energy: -100.845 bonds (distance) P-C4' energy: -103.183 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -85.013 tors. eta vs tors. theta energy: -136.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1429.981900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.981900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.981900 (E_RNA) where: Base-Base interactions energy: -945.719 where: short stacking energy: -435.950 Base-Backbone interact. energy: 0.882 local terms energy: -485.145090 where: bonds (distance) C4'-P energy: -99.938 bonds (distance) P-C4' energy: -96.752 flat angles C4'-P-C4' energy: -111.190 flat angles P-C4'-P energy: -70.689 tors. eta vs tors. theta energy: -106.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1292.665253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.665253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.665253 (E_RNA) where: Base-Base interactions energy: -792.857 where: short stacking energy: -360.218 Base-Backbone interact. energy: -0.532 local terms energy: -499.276115 where: bonds (distance) C4'-P energy: -108.398 bonds (distance) P-C4' energy: -107.473 flat angles C4'-P-C4' energy: -114.790 flat angles P-C4'-P energy: -70.597 tors. eta vs tors. theta energy: -98.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1173.157922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.157922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.157922 (E_RNA) where: Base-Base interactions energy: -752.375 where: short stacking energy: -305.298 Base-Backbone interact. energy: -1.887 local terms energy: -418.896327 where: bonds (distance) C4'-P energy: -106.498 bonds (distance) P-C4' energy: -108.270 flat angles C4'-P-C4' energy: -98.451 flat angles P-C4'-P energy: -59.072 tors. eta vs tors. theta energy: -46.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -874.308751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.308751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.308751 (E_RNA) where: Base-Base interactions energy: -492.048 where: short stacking energy: -248.717 Base-Backbone interact. energy: 3.120 local terms energy: -385.380924 where: bonds (distance) C4'-P energy: -96.456 bonds (distance) P-C4' energy: -95.388 flat angles C4'-P-C4' energy: -90.944 flat angles P-C4'-P energy: -59.000 tors. eta vs tors. theta energy: -43.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -781.333558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.333558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.333558 (E_RNA) where: Base-Base interactions energy: -424.185 where: short stacking energy: -212.963 Base-Backbone interact. energy: -2.219 local terms energy: -354.929923 where: bonds (distance) C4'-P energy: -92.663 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -96.155 flat angles P-C4'-P energy: -36.498 tors. eta vs tors. theta energy: -37.274 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: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -608.929920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.929920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.929920 (E_RNA) where: Base-Base interactions energy: -277.581 where: short stacking energy: -172.557 Base-Backbone interact. energy: -1.926 local terms energy: -329.423675 where: bonds (distance) C4'-P energy: -92.445 bonds (distance) P-C4' energy: -91.587 flat angles C4'-P-C4' energy: -91.085 flat angles P-C4'-P energy: -53.850 tors. eta vs tors. theta energy: -0.457 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: 205 Temperature: 1.350000 Total energy: -452.836013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.836013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.836013 (E_RNA) where: Base-Base interactions energy: -192.463 where: short stacking energy: -136.731 Base-Backbone interact. energy: -0.444 local terms energy: -259.928726 where: bonds (distance) C4'-P energy: -75.915 bonds (distance) P-C4' energy: -93.563 flat angles C4'-P-C4' energy: -83.222 flat angles P-C4'-P energy: -28.738 tors. eta vs tors. theta energy: 21.509 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: 2 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1777.115379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.115379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.115379 (E_RNA) where: Base-Base interactions energy: -1211.705 where: short stacking energy: -538.919 Base-Backbone interact. energy: 1.273 local terms energy: -566.683348 where: bonds (distance) C4'-P energy: -100.711 bonds (distance) P-C4' energy: -100.918 flat angles C4'-P-C4' energy: -136.957 flat angles P-C4'-P energy: -82.429 tors. eta vs tors. theta energy: -145.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1664.340733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.340733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.340733 (E_RNA) where: Base-Base interactions energy: -1111.900 where: short stacking energy: -485.901 Base-Backbone interact. energy: -5.228 local terms energy: -547.212612 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -113.990 flat angles C4'-P-C4' energy: -112.799 flat angles P-C4'-P energy: -76.540 tors. eta vs tors. theta energy: -137.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1568.536080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.536080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.536080 (E_RNA) where: Base-Base interactions energy: -1041.780 where: short stacking energy: -481.428 Base-Backbone interact. energy: -3.740 local terms energy: -523.016085 where: bonds (distance) C4'-P energy: -87.196 bonds (distance) P-C4' energy: -110.037 flat angles C4'-P-C4' energy: -116.081 flat angles P-C4'-P energy: -80.063 tors. eta vs tors. theta energy: -129.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1442.806344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.806344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.806344 (E_RNA) where: Base-Base interactions energy: -910.891 where: short stacking energy: -433.698 Base-Backbone interact. energy: -1.701 local terms energy: -530.214905 where: bonds (distance) C4'-P energy: -103.858 bonds (distance) P-C4' energy: -112.302 flat angles C4'-P-C4' energy: -122.013 flat angles P-C4'-P energy: -80.236 tors. eta vs tors. theta energy: -111.806 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: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1323.044488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.044488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.044488 (E_RNA) where: Base-Base interactions energy: -866.156 where: short stacking energy: -410.636 Base-Backbone interact. energy: -3.609 local terms energy: -453.279568 where: bonds (distance) C4'-P energy: -96.346 bonds (distance) P-C4' energy: -87.722 flat angles C4'-P-C4' energy: -99.398 flat angles P-C4'-P energy: -69.701 tors. eta vs tors. theta energy: -100.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1151.838962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.838962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.838962 (E_RNA) where: Base-Base interactions energy: -725.980 where: short stacking energy: -345.521 Base-Backbone interact. energy: -3.655 local terms energy: -422.203442 where: bonds (distance) C4'-P energy: -97.438 bonds (distance) P-C4' energy: -89.985 flat angles C4'-P-C4' energy: -90.217 flat angles P-C4'-P energy: -60.062 tors. eta vs tors. theta energy: -84.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -856.121031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.121031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.121031 (E_RNA) where: Base-Base interactions energy: -492.122 where: short stacking energy: -259.535 Base-Backbone interact. energy: 0.506 local terms energy: -364.504465 where: bonds (distance) C4'-P energy: -107.064 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -100.127 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -34.048 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: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -847.787188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.787188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.787188 (E_RNA) where: Base-Base interactions energy: -486.453 where: short stacking energy: -234.191 Base-Backbone interact. energy: 0.234 local terms energy: -361.567980 where: bonds (distance) C4'-P energy: -99.689 bonds (distance) P-C4' energy: -82.720 flat angles C4'-P-C4' energy: -95.119 flat angles P-C4'-P energy: -47.487 tors. eta vs tors. theta energy: -36.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -631.809467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.809467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.809467 (E_RNA) where: Base-Base interactions energy: -315.516 where: short stacking energy: -186.591 Base-Backbone interact. energy: -1.697 local terms energy: -314.596171 where: bonds (distance) C4'-P energy: -88.185 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -86.342 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -13.069 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: 206 Temperature: 1.350000 Total energy: -418.394526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.394526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.394526 (E_RNA) where: Base-Base interactions energy: -137.015 where: short stacking energy: -108.711 Base-Backbone interact. energy: -3.551 local terms energy: -277.827769 where: bonds (distance) C4'-P energy: -92.140 bonds (distance) P-C4' energy: -93.728 flat angles C4'-P-C4' energy: -71.328 flat angles P-C4'-P energy: -48.471 tors. eta vs tors. theta energy: 27.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1797.545514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.545514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.545514 (E_RNA) where: Base-Base interactions energy: -1225.594 where: short stacking energy: -538.194 Base-Backbone interact. energy: -1.436 local terms energy: -570.515288 where: bonds (distance) C4'-P energy: -110.295 bonds (distance) P-C4' energy: -109.260 flat angles C4'-P-C4' energy: -125.101 flat angles P-C4'-P energy: -71.498 tors. eta vs tors. theta energy: -154.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1628.253794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.253794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.253794 (E_RNA) where: Base-Base interactions energy: -1090.743 where: short stacking energy: -491.773 Base-Backbone interact. energy: -0.697 local terms energy: -536.813973 where: bonds (distance) C4'-P energy: -97.762 bonds (distance) P-C4' energy: -107.040 flat angles C4'-P-C4' energy: -121.610 flat angles P-C4'-P energy: -70.818 tors. eta vs tors. theta energy: -139.585 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: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1644.604347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.604347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.604347 (E_RNA) where: Base-Base interactions energy: -1111.194 where: short stacking energy: -469.805 Base-Backbone interact. energy: -0.259 local terms energy: -533.151813 where: bonds (distance) C4'-P energy: -94.751 bonds (distance) P-C4' energy: -96.619 flat angles C4'-P-C4' energy: -110.043 flat angles P-C4'-P energy: -87.012 tors. eta vs tors. theta energy: -144.727 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: 6 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1415.625907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.625907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.625907 (E_RNA) where: Base-Base interactions energy: -934.070 where: short stacking energy: -431.340 Base-Backbone interact. energy: -2.597 local terms energy: -478.959434 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -90.731 flat angles C4'-P-C4' energy: -99.883 flat angles P-C4'-P energy: -72.371 tors. eta vs tors. theta energy: -101.032 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: 5, replica: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1262.784691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.784691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.784691 (E_RNA) where: Base-Base interactions energy: -823.225 where: short stacking energy: -392.500 Base-Backbone interact. energy: -4.058 local terms energy: -435.502007 where: bonds (distance) C4'-P energy: -80.758 bonds (distance) P-C4' energy: -97.905 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -64.110 tors. eta vs tors. theta energy: -89.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1153.431063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.431063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.431063 (E_RNA) where: Base-Base interactions energy: -721.250 where: short stacking energy: -328.210 Base-Backbone interact. energy: -0.067 local terms energy: -432.114498 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -90.630 flat angles C4'-P-C4' energy: -106.263 flat angles P-C4'-P energy: -71.431 tors. eta vs tors. theta energy: -65.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -888.389711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.389711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.389711 (E_RNA) where: Base-Base interactions energy: -479.369 where: short stacking energy: -254.282 Base-Backbone interact. energy: -1.550 local terms energy: -407.471113 where: bonds (distance) C4'-P energy: -90.668 bonds (distance) P-C4' energy: -100.110 flat angles C4'-P-C4' energy: -96.411 flat angles P-C4'-P energy: -62.804 tors. eta vs tors. theta energy: -57.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -857.028509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.028509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.028509 (E_RNA) where: Base-Base interactions energy: -503.611 where: short stacking energy: -239.529 Base-Backbone interact. energy: -1.547 local terms energy: -351.870472 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -93.488 flat angles C4'-P-C4' energy: -97.294 flat angles P-C4'-P energy: -35.120 tors. eta vs tors. theta energy: -25.537 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: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -655.819668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.819668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.819668 (E_RNA) where: Base-Base interactions energy: -336.865 where: short stacking energy: -186.516 Base-Backbone interact. energy: 1.573 local terms energy: -320.527422 where: bonds (distance) C4'-P energy: -87.566 bonds (distance) P-C4' energy: -97.555 flat angles C4'-P-C4' energy: -91.703 flat angles P-C4'-P energy: -40.537 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -437.784055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.784055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.784055 (E_RNA) where: Base-Base interactions energy: -178.150 where: short stacking energy: -147.143 Base-Backbone interact. energy: 5.384 local terms energy: -265.018416 where: bonds (distance) C4'-P energy: -81.672 bonds (distance) P-C4' energy: -95.443 flat angles C4'-P-C4' energy: -69.921 flat angles P-C4'-P energy: -22.874 tors. eta vs tors. theta energy: 4.892 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: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1822.300482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.300482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.300482 (E_RNA) where: Base-Base interactions energy: -1220.375 where: short stacking energy: -549.667 Base-Backbone interact. energy: -2.056 local terms energy: -599.868856 where: bonds (distance) C4'-P energy: -106.633 bonds (distance) P-C4' energy: -120.696 flat angles C4'-P-C4' energy: -125.609 flat angles P-C4'-P energy: -86.121 tors. eta vs tors. theta energy: -160.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1655.460685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.460685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.460685 (E_RNA) where: Base-Base interactions energy: -1110.403 where: short stacking energy: -491.431 Base-Backbone interact. energy: -3.057 local terms energy: -542.001305 where: bonds (distance) C4'-P energy: -113.600 bonds (distance) P-C4' energy: -94.829 flat angles C4'-P-C4' energy: -120.469 flat angles P-C4'-P energy: -80.853 tors. eta vs tors. theta energy: -132.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1599.901827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.901827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.901827 (E_RNA) where: Base-Base interactions energy: -1058.552 where: short stacking energy: -479.233 Base-Backbone interact. energy: -2.567 local terms energy: -538.782975 where: bonds (distance) C4'-P energy: -109.307 bonds (distance) P-C4' energy: -105.271 flat angles C4'-P-C4' energy: -119.407 flat angles P-C4'-P energy: -76.980 tors. eta vs tors. theta energy: -127.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1440.781673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.781673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.781673 (E_RNA) where: Base-Base interactions energy: -939.646 where: short stacking energy: -459.014 Base-Backbone interact. energy: -2.801 local terms energy: -498.333993 where: bonds (distance) C4'-P energy: -116.058 bonds (distance) P-C4' energy: -83.580 flat angles C4'-P-C4' energy: -106.850 flat angles P-C4'-P energy: -73.214 tors. eta vs tors. theta energy: -118.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1293.760020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.760020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.760020 (E_RNA) where: Base-Base interactions energy: -832.192 where: short stacking energy: -360.965 Base-Backbone interact. energy: -2.360 local terms energy: -459.207199 where: bonds (distance) C4'-P energy: -94.283 bonds (distance) P-C4' energy: -91.140 flat angles C4'-P-C4' energy: -105.412 flat angles P-C4'-P energy: -69.056 tors. eta vs tors. theta energy: -99.316 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: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1193.690033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.690033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.690033 (E_RNA) where: Base-Base interactions energy: -756.536 where: short stacking energy: -343.164 Base-Backbone interact. energy: -2.677 local terms energy: -434.476792 where: bonds (distance) C4'-P energy: -98.118 bonds (distance) P-C4' energy: -111.343 flat angles C4'-P-C4' energy: -89.679 flat angles P-C4'-P energy: -54.006 tors. eta vs tors. theta energy: -81.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -873.863167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.863167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.863167 (E_RNA) where: Base-Base interactions energy: -481.246 where: short stacking energy: -263.018 Base-Backbone interact. energy: 2.147 local terms energy: -394.764089 where: bonds (distance) C4'-P energy: -97.698 bonds (distance) P-C4' energy: -108.637 flat angles C4'-P-C4' energy: -91.626 flat angles P-C4'-P energy: -51.331 tors. eta vs tors. theta energy: -45.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -865.600106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.600106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.600106 (E_RNA) where: Base-Base interactions energy: -479.336 where: short stacking energy: -255.620 Base-Backbone interact. energy: 4.086 local terms energy: -390.350445 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -88.839 flat angles C4'-P-C4' energy: -99.978 flat angles P-C4'-P energy: -71.688 tors. eta vs tors. theta energy: -42.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -609.242161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.242161 (E_RNA) where: Base-Base interactions energy: -317.565 where: short stacking energy: -183.791 Base-Backbone interact. energy: 0.040 local terms energy: -291.716840 where: bonds (distance) C4'-P energy: -74.318 bonds (distance) P-C4' energy: -95.683 flat angles C4'-P-C4' energy: -67.798 flat angles P-C4'-P energy: -47.886 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -466.411797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.411797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.411797 (E_RNA) where: Base-Base interactions energy: -181.305 where: short stacking energy: -134.340 Base-Backbone interact. energy: -0.086 local terms energy: -285.020041 where: bonds (distance) C4'-P energy: -86.848 bonds (distance) P-C4' energy: -88.737 flat angles C4'-P-C4' energy: -77.011 flat angles P-C4'-P energy: -37.089 tors. eta vs tors. theta energy: 4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1785.245443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.245443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.245443 (E_RNA) where: Base-Base interactions energy: -1198.419 where: short stacking energy: -550.274 Base-Backbone interact. energy: 1.103 local terms energy: -587.929008 where: bonds (distance) C4'-P energy: -109.307 bonds (distance) P-C4' energy: -112.837 flat angles C4'-P-C4' energy: -128.311 flat angles P-C4'-P energy: -80.395 tors. eta vs tors. theta energy: -157.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1650.920104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.920104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.920104 (E_RNA) where: Base-Base interactions energy: -1103.290 where: short stacking energy: -506.339 Base-Backbone interact. energy: -1.174 local terms energy: -546.455383 where: bonds (distance) C4'-P energy: -109.363 bonds (distance) P-C4' energy: -115.007 flat angles C4'-P-C4' energy: -114.887 flat angles P-C4'-P energy: -72.513 tors. eta vs tors. theta energy: -134.685 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: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1612.662171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.662171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.662171 (E_RNA) where: Base-Base interactions energy: -1075.241 where: short stacking energy: -478.289 Base-Backbone interact. energy: -3.008 local terms energy: -534.413368 where: bonds (distance) C4'-P energy: -90.721 bonds (distance) P-C4' energy: -118.295 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -73.816 tors. eta vs tors. theta energy: -134.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1435.293901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.293901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.293901 (E_RNA) where: Base-Base interactions energy: -931.875 where: short stacking energy: -445.420 Base-Backbone interact. energy: -1.862 local terms energy: -501.556808 where: bonds (distance) C4'-P energy: -99.122 bonds (distance) P-C4' energy: -116.009 flat angles C4'-P-C4' energy: -108.662 flat angles P-C4'-P energy: -63.299 tors. eta vs tors. theta energy: -114.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1284.318774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.318774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.318774 (E_RNA) where: Base-Base interactions energy: -805.405 where: short stacking energy: -375.618 Base-Backbone interact. energy: -5.062 local terms energy: -473.852288 where: bonds (distance) C4'-P energy: -98.343 bonds (distance) P-C4' energy: -100.634 flat angles C4'-P-C4' energy: -106.400 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: -95.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1162.342054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.342054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.342054 (E_RNA) where: Base-Base interactions energy: -736.336 where: short stacking energy: -300.388 Base-Backbone interact. energy: 0.291 local terms energy: -426.297261 where: bonds (distance) C4'-P energy: -76.202 bonds (distance) P-C4' energy: -112.213 flat angles C4'-P-C4' energy: -104.910 flat angles P-C4'-P energy: -66.078 tors. eta vs tors. theta energy: -66.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -956.883810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.883810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.883810 (E_RNA) where: Base-Base interactions energy: -550.368 where: short stacking energy: -277.265 Base-Backbone interact. energy: -1.817 local terms energy: -404.698902 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -107.674 flat angles C4'-P-C4' energy: -96.371 flat angles P-C4'-P energy: -60.417 tors. eta vs tors. theta energy: -42.086 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: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -785.358777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.358777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.358777 (E_RNA) where: Base-Base interactions energy: -418.035 where: short stacking energy: -232.350 Base-Backbone interact. energy: -1.991 local terms energy: -365.332790 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -95.460 flat angles C4'-P-C4' energy: -92.607 flat angles P-C4'-P energy: -48.781 tors. eta vs tors. theta energy: -34.031 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: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -630.526712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.526712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.526712 (E_RNA) where: Base-Base interactions energy: -314.733 where: short stacking energy: -183.031 Base-Backbone interact. energy: 0.080 local terms energy: -315.873707 where: bonds (distance) C4'-P energy: -90.128 bonds (distance) P-C4' energy: -87.520 flat angles C4'-P-C4' energy: -78.024 flat angles P-C4'-P energy: -44.243 tors. eta vs tors. theta energy: -15.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -443.962186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.962186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.962186 (E_RNA) where: Base-Base interactions energy: -160.001 where: short stacking energy: -134.171 Base-Backbone interact. energy: 6.752 local terms energy: -290.712344 where: bonds (distance) C4'-P energy: -85.382 bonds (distance) P-C4' energy: -95.013 flat angles C4'-P-C4' energy: -56.096 flat angles P-C4'-P energy: -61.891 tors. eta vs tors. theta energy: 7.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1797.902888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.902888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.902888 (E_RNA) where: Base-Base interactions energy: -1214.528 where: short stacking energy: -543.285 Base-Backbone interact. energy: -6.148 local terms energy: -577.227313 where: bonds (distance) C4'-P energy: -103.926 bonds (distance) P-C4' energy: -110.458 flat angles C4'-P-C4' energy: -118.865 flat angles P-C4'-P energy: -82.340 tors. eta vs tors. theta energy: -161.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1688.455547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.455547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.455547 (E_RNA) where: Base-Base interactions energy: -1130.322 where: short stacking energy: -494.067 Base-Backbone interact. energy: -3.357 local terms energy: -554.776569 where: bonds (distance) C4'-P energy: -101.303 bonds (distance) P-C4' energy: -117.867 flat angles C4'-P-C4' energy: -123.240 flat angles P-C4'-P energy: -78.825 tors. eta vs tors. theta energy: -133.542 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: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1609.739784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.739784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.739784 (E_RNA) where: Base-Base interactions energy: -1074.639 where: short stacking energy: -473.750 Base-Backbone interact. energy: 1.700 local terms energy: -536.800856 where: bonds (distance) C4'-P energy: -84.060 bonds (distance) P-C4' energy: -104.687 flat angles C4'-P-C4' energy: -118.834 flat angles P-C4'-P energy: -90.876 tors. eta vs tors. theta energy: -138.344 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: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1472.676820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.676820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.676820 (E_RNA) where: Base-Base interactions energy: -951.655 where: short stacking energy: -440.973 Base-Backbone interact. energy: -1.937 local terms energy: -519.085274 where: bonds (distance) C4'-P energy: -101.008 bonds (distance) P-C4' energy: -104.393 flat angles C4'-P-C4' energy: -110.026 flat angles P-C4'-P energy: -76.342 tors. eta vs tors. theta energy: -127.316 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: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1279.634135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.634135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.634135 (E_RNA) where: Base-Base interactions energy: -825.892 where: short stacking energy: -384.900 Base-Backbone interact. energy: -2.242 local terms energy: -451.500142 where: bonds (distance) C4'-P energy: -101.479 bonds (distance) P-C4' energy: -102.365 flat angles C4'-P-C4' energy: -98.959 flat angles P-C4'-P energy: -72.762 tors. eta vs tors. theta energy: -75.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1167.302956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.302956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.302956 (E_RNA) where: Base-Base interactions energy: -748.918 where: short stacking energy: -346.506 Base-Backbone interact. energy: 1.538 local terms energy: -419.923252 where: bonds (distance) C4'-P energy: -83.434 bonds (distance) P-C4' energy: -101.147 flat angles C4'-P-C4' energy: -90.285 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -74.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -998.055941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.055941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.055941 (E_RNA) where: Base-Base interactions energy: -603.664 where: short stacking energy: -310.156 Base-Backbone interact. energy: 2.293 local terms energy: -396.684901 where: bonds (distance) C4'-P energy: -102.011 bonds (distance) P-C4' energy: -92.067 flat angles C4'-P-C4' energy: -94.199 flat angles P-C4'-P energy: -57.081 tors. eta vs tors. theta energy: -51.327 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: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -780.592019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.592019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.592019 (E_RNA) where: Base-Base interactions energy: -401.665 where: short stacking energy: -210.214 Base-Backbone interact. energy: -2.382 local terms energy: -376.545107 where: bonds (distance) C4'-P energy: -89.940 bonds (distance) P-C4' energy: -99.360 flat angles C4'-P-C4' energy: -101.850 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -32.122 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: 210 Temperature: 1.300000 Total energy: -613.206471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.206471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.206471 (E_RNA) where: Base-Base interactions energy: -271.056 where: short stacking energy: -170.110 Base-Backbone interact. energy: -1.111 local terms energy: -341.039463 where: bonds (distance) C4'-P energy: -94.585 bonds (distance) P-C4' energy: -111.643 flat angles C4'-P-C4' energy: -75.962 flat angles P-C4'-P energy: -59.755 tors. eta vs tors. theta energy: 0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -412.078105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.078105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.078105 (E_RNA) where: Base-Base interactions energy: -118.198 where: short stacking energy: -89.765 Base-Backbone interact. energy: 1.126 local terms energy: -295.005175 where: bonds (distance) C4'-P energy: -96.184 bonds (distance) P-C4' energy: -101.429 flat angles C4'-P-C4' energy: -83.681 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: 38.529 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: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1805.660322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.660322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.660322 (E_RNA) where: Base-Base interactions energy: -1224.965 where: short stacking energy: -543.322 Base-Backbone interact. energy: -1.952 local terms energy: -578.743055 where: bonds (distance) C4'-P energy: -112.008 bonds (distance) P-C4' energy: -95.479 flat angles C4'-P-C4' energy: -123.967 flat angles P-C4'-P energy: -87.558 tors. eta vs tors. theta energy: -159.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1634.088837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.088837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.088837 (E_RNA) where: Base-Base interactions energy: -1075.238 where: short stacking energy: -511.703 Base-Backbone interact. energy: -3.164 local terms energy: -555.686443 where: bonds (distance) C4'-P energy: -103.934 bonds (distance) P-C4' energy: -120.181 flat angles C4'-P-C4' energy: -126.801 flat angles P-C4'-P energy: -65.633 tors. eta vs tors. theta energy: -139.138 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: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1566.556624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.556624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.556624 (E_RNA) where: Base-Base interactions energy: -1056.711 where: short stacking energy: -476.921 Base-Backbone interact. energy: -2.432 local terms energy: -507.413201 where: bonds (distance) C4'-P energy: -96.672 bonds (distance) P-C4' energy: -120.692 flat angles C4'-P-C4' energy: -110.224 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -109.421 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: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1426.275410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.275410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.275410 (E_RNA) where: Base-Base interactions energy: -924.702 where: short stacking energy: -431.580 Base-Backbone interact. energy: -3.659 local terms energy: -497.914643 where: bonds (distance) C4'-P energy: -103.914 bonds (distance) P-C4' energy: -90.654 flat angles C4'-P-C4' energy: -113.347 flat angles P-C4'-P energy: -75.555 tors. eta vs tors. theta energy: -114.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1297.006677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.006677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.006677 (E_RNA) where: Base-Base interactions energy: -859.884 where: short stacking energy: -392.163 Base-Backbone interact. energy: 5.904 local terms energy: -443.026358 where: bonds (distance) C4'-P energy: -99.303 bonds (distance) P-C4' energy: -100.331 flat angles C4'-P-C4' energy: -97.403 flat angles P-C4'-P energy: -55.399 tors. eta vs tors. theta energy: -90.590 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: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1136.354064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.354064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.354064 (E_RNA) where: Base-Base interactions energy: -728.700 where: short stacking energy: -328.235 Base-Backbone interact. energy: -0.518 local terms energy: -407.136550 where: bonds (distance) C4'-P energy: -96.948 bonds (distance) P-C4' energy: -103.817 flat angles C4'-P-C4' energy: -82.901 flat angles P-C4'-P energy: -61.672 tors. eta vs tors. theta energy: -61.798 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: 211 Temperature: 1.200000 Total energy: -994.167468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.167468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.167468 (E_RNA) where: Base-Base interactions energy: -582.695 where: short stacking energy: -312.673 Base-Backbone interact. energy: 0.821 local terms energy: -412.293019 where: bonds (distance) C4'-P energy: -82.580 bonds (distance) P-C4' energy: -118.925 flat angles C4'-P-C4' energy: -99.079 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -60.589 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: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -812.671650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.671650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.671650 (E_RNA) where: Base-Base interactions energy: -478.810 where: short stacking energy: -257.027 Base-Backbone interact. energy: -2.345 local terms energy: -331.516002 where: bonds (distance) C4'-P energy: -84.164 bonds (distance) P-C4' energy: -83.464 flat angles C4'-P-C4' energy: -86.707 flat angles P-C4'-P energy: -46.485 tors. eta vs tors. theta energy: -30.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -624.019728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.019728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.019728 (E_RNA) where: Base-Base interactions energy: -331.057 where: short stacking energy: -186.025 Base-Backbone interact. energy: 3.858 local terms energy: -296.820609 where: bonds (distance) C4'-P energy: -92.507 bonds (distance) P-C4' energy: -75.158 flat angles C4'-P-C4' energy: -76.556 flat angles P-C4'-P energy: -44.694 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -424.292061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.292061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.292061 (E_RNA) where: Base-Base interactions energy: -146.286 where: short stacking energy: -124.077 Base-Backbone interact. energy: -1.480 local terms energy: -276.525982 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -94.063 flat angles C4'-P-C4' energy: -65.148 flat angles P-C4'-P energy: -40.541 tors. eta vs tors. theta energy: 14.150 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: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1807.364340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.364340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.364340 (E_RNA) where: Base-Base interactions energy: -1211.775 where: short stacking energy: -527.228 Base-Backbone interact. energy: -1.760 local terms energy: -593.829414 where: bonds (distance) C4'-P energy: -122.450 bonds (distance) P-C4' energy: -113.233 flat angles C4'-P-C4' energy: -120.063 flat angles P-C4'-P energy: -86.117 tors. eta vs tors. theta energy: -151.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1631.775767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.775767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.775767 (E_RNA) where: Base-Base interactions energy: -1118.247 where: short stacking energy: -499.028 Base-Backbone interact. energy: -2.853 local terms energy: -510.675097 where: bonds (distance) C4'-P energy: -103.308 bonds (distance) P-C4' energy: -100.390 flat angles C4'-P-C4' energy: -112.980 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -128.348 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: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1572.502156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.502156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.502156 (E_RNA) where: Base-Base interactions energy: -1081.622 where: short stacking energy: -455.324 Base-Backbone interact. energy: -0.631 local terms energy: -490.249274 where: bonds (distance) C4'-P energy: -95.846 bonds (distance) P-C4' energy: -102.505 flat angles C4'-P-C4' energy: -110.488 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -110.166 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: 212 Temperature: 1.050000 Total energy: -1492.680791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.680791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.680791 (E_RNA) where: Base-Base interactions energy: -983.835 where: short stacking energy: -458.020 Base-Backbone interact. energy: -0.450 local terms energy: -508.395634 where: bonds (distance) C4'-P energy: -97.109 bonds (distance) P-C4' energy: -105.460 flat angles C4'-P-C4' energy: -118.863 flat angles P-C4'-P energy: -72.418 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: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1319.136061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.136061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.136061 (E_RNA) where: Base-Base interactions energy: -834.276 where: short stacking energy: -392.528 Base-Backbone interact. energy: -0.692 local terms energy: -484.167756 where: bonds (distance) C4'-P energy: -85.331 bonds (distance) P-C4' energy: -108.757 flat angles C4'-P-C4' energy: -107.649 flat angles P-C4'-P energy: -74.523 tors. eta vs tors. theta energy: -107.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1108.354129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.354129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.354129 (E_RNA) where: Base-Base interactions energy: -692.464 where: short stacking energy: -333.587 Base-Backbone interact. energy: -2.193 local terms energy: -413.697351 where: bonds (distance) C4'-P energy: -86.881 bonds (distance) P-C4' energy: -93.647 flat angles C4'-P-C4' energy: -102.258 flat angles P-C4'-P energy: -64.405 tors. eta vs tors. theta energy: -66.507 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: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -913.081192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.081192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.081192 (E_RNA) where: Base-Base interactions energy: -510.967 where: short stacking energy: -258.458 Base-Backbone interact. energy: -1.207 local terms energy: -400.907833 where: bonds (distance) C4'-P energy: -86.224 bonds (distance) P-C4' energy: -96.623 flat angles C4'-P-C4' energy: -101.716 flat angles P-C4'-P energy: -62.133 tors. eta vs tors. theta energy: -54.211 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: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -788.267342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.267342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.267342 (E_RNA) where: Base-Base interactions energy: -441.814 where: short stacking energy: -188.179 Base-Backbone interact. energy: -2.720 local terms energy: -343.733484 where: bonds (distance) C4'-P energy: -85.906 bonds (distance) P-C4' energy: -102.278 flat angles C4'-P-C4' energy: -87.754 flat angles P-C4'-P energy: -56.390 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: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -608.012247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.012247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.012247 (E_RNA) where: Base-Base interactions energy: -304.180 where: short stacking energy: -189.383 Base-Backbone interact. energy: -0.206 local terms energy: -303.626485 where: bonds (distance) C4'-P energy: -88.626 bonds (distance) P-C4' energy: -80.038 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -17.179 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: 212 Temperature: 1.350000 Total energy: -480.793228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.793228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.793228 (E_RNA) where: Base-Base interactions energy: -193.324 where: short stacking energy: -145.731 Base-Backbone interact. energy: -1.185 local terms energy: -286.284776 where: bonds (distance) C4'-P energy: -77.754 bonds (distance) P-C4' energy: -95.351 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -40.022 tors. eta vs tors. theta energy: 0.324 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: 1, replica: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1773.293781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.293781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.293781 (E_RNA) where: Base-Base interactions energy: -1198.964 where: short stacking energy: -563.813 Base-Backbone interact. energy: 0.088 local terms energy: -574.417814 where: bonds (distance) C4'-P energy: -103.732 bonds (distance) P-C4' energy: -106.263 flat angles C4'-P-C4' energy: -126.069 flat angles P-C4'-P energy: -85.118 tors. eta vs tors. theta energy: -153.237 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: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1649.821442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.821442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.821442 (E_RNA) where: Base-Base interactions energy: -1094.971 where: short stacking energy: -488.523 Base-Backbone interact. energy: -1.767 local terms energy: -553.082986 where: bonds (distance) C4'-P energy: -106.919 bonds (distance) P-C4' energy: -103.555 flat angles C4'-P-C4' energy: -117.029 flat angles P-C4'-P energy: -79.343 tors. eta vs tors. theta energy: -146.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1602.544682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.544682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.544682 (E_RNA) where: Base-Base interactions energy: -1083.360 where: short stacking energy: -441.509 Base-Backbone interact. energy: -4.442 local terms energy: -514.742281 where: bonds (distance) C4'-P energy: -94.592 bonds (distance) P-C4' energy: -107.752 flat angles C4'-P-C4' energy: -120.827 flat angles P-C4'-P energy: -70.995 tors. eta vs tors. theta energy: -120.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1503.420272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.420272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.420272 (E_RNA) where: Base-Base interactions energy: -981.563 where: short stacking energy: -461.531 Base-Backbone interact. energy: -3.128 local terms energy: -518.729161 where: bonds (distance) C4'-P energy: -90.834 bonds (distance) P-C4' energy: -107.308 flat angles C4'-P-C4' energy: -108.759 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: -131.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1271.048844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.048844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.048844 (E_RNA) where: Base-Base interactions energy: -773.471 where: short stacking energy: -370.545 Base-Backbone interact. energy: 3.791 local terms energy: -501.368549 where: bonds (distance) C4'-P energy: -109.996 bonds (distance) P-C4' energy: -113.361 flat angles C4'-P-C4' energy: -113.312 flat angles P-C4'-P energy: -66.813 tors. eta vs tors. theta energy: -97.887 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: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1172.864968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.864968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.864968 (E_RNA) where: Base-Base interactions energy: -715.302 where: short stacking energy: -339.841 Base-Backbone interact. energy: -1.214 local terms energy: -456.348504 where: bonds (distance) C4'-P energy: -100.260 bonds (distance) P-C4' energy: -113.237 flat angles C4'-P-C4' energy: -107.664 flat angles P-C4'-P energy: -60.656 tors. eta vs tors. theta energy: -74.532 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: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -971.199942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.199942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.199942 (E_RNA) where: Base-Base interactions energy: -593.032 where: short stacking energy: -294.828 Base-Backbone interact. energy: 0.402 local terms energy: -378.570276 where: bonds (distance) C4'-P energy: -98.683 bonds (distance) P-C4' energy: -92.391 flat angles C4'-P-C4' energy: -81.759 flat angles P-C4'-P energy: -49.013 tors. eta vs tors. theta energy: -56.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -880.733698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.733698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.733698 (E_RNA) where: Base-Base interactions energy: -497.088 where: short stacking energy: -247.012 Base-Backbone interact. energy: -1.130 local terms energy: -382.515637 where: bonds (distance) C4'-P energy: -104.880 bonds (distance) P-C4' energy: -87.973 flat angles C4'-P-C4' energy: -88.989 flat angles P-C4'-P energy: -58.192 tors. eta vs tors. theta energy: -42.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -595.069582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.069582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.069582 (E_RNA) where: Base-Base interactions energy: -289.296 where: short stacking energy: -181.422 Base-Backbone interact. energy: 2.176 local terms energy: -307.949455 where: bonds (distance) C4'-P energy: -75.174 bonds (distance) P-C4' energy: -108.912 flat angles C4'-P-C4' energy: -81.263 flat angles P-C4'-P energy: -38.827 tors. eta vs tors. theta energy: -3.774 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: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -435.514616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.514616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.514616 (E_RNA) where: Base-Base interactions energy: -189.309 where: short stacking energy: -134.129 Base-Backbone interact. energy: 0.455 local terms energy: -246.660495 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -93.535 flat angles C4'-P-C4' energy: -71.216 flat angles P-C4'-P energy: -15.178 tors. eta vs tors. theta energy: 12.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1756.405026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.405026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.405026 (E_RNA) where: Base-Base interactions energy: -1181.802 where: short stacking energy: -517.651 Base-Backbone interact. energy: -3.925 local terms energy: -570.677805 where: bonds (distance) C4'-P energy: -111.281 bonds (distance) P-C4' energy: -110.604 flat angles C4'-P-C4' energy: -113.347 flat angles P-C4'-P energy: -86.321 tors. eta vs tors. theta energy: -149.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1624.734484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.734484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.734484 (E_RNA) where: Base-Base interactions energy: -1073.295 where: short stacking energy: -504.941 Base-Backbone interact. energy: -2.105 local terms energy: -549.334643 where: bonds (distance) C4'-P energy: -101.334 bonds (distance) P-C4' energy: -114.434 flat angles C4'-P-C4' energy: -121.507 flat angles P-C4'-P energy: -80.363 tors. eta vs tors. theta energy: -131.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1614.978248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.978248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.978248 (E_RNA) where: Base-Base interactions energy: -1063.851 where: short stacking energy: -486.986 Base-Backbone interact. energy: 0.428 local terms energy: -551.555297 where: bonds (distance) C4'-P energy: -108.526 bonds (distance) P-C4' energy: -91.457 flat angles C4'-P-C4' energy: -124.534 flat angles P-C4'-P energy: -91.592 tors. eta vs tors. theta energy: -135.446 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: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1513.436067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.436067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.436067 (E_RNA) where: Base-Base interactions energy: -993.717 where: short stacking energy: -476.787 Base-Backbone interact. energy: -1.546 local terms energy: -518.173079 where: bonds (distance) C4'-P energy: -95.433 bonds (distance) P-C4' energy: -108.100 flat angles C4'-P-C4' energy: -115.525 flat angles P-C4'-P energy: -64.520 tors. eta vs tors. theta energy: -134.596 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: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1298.429246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.429246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.429246 (E_RNA) where: Base-Base interactions energy: -833.077 where: short stacking energy: -427.541 Base-Backbone interact. energy: 0.948 local terms energy: -466.300519 where: bonds (distance) C4'-P energy: -75.993 bonds (distance) P-C4' energy: -101.903 flat angles C4'-P-C4' energy: -112.118 flat angles P-C4'-P energy: -59.071 tors. eta vs tors. theta energy: -117.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1133.931944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.931944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.931944 (E_RNA) where: Base-Base interactions energy: -699.357 where: short stacking energy: -327.230 Base-Backbone interact. energy: 0.608 local terms energy: -435.182618 where: bonds (distance) C4'-P energy: -100.692 bonds (distance) P-C4' energy: -96.420 flat angles C4'-P-C4' energy: -107.042 flat angles P-C4'-P energy: -63.505 tors. eta vs tors. theta energy: -67.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -939.304871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.304871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.304871 (E_RNA) where: Base-Base interactions energy: -562.808 where: short stacking energy: -266.169 Base-Backbone interact. energy: 0.657 local terms energy: -377.153382 where: bonds (distance) C4'-P energy: -93.449 bonds (distance) P-C4' energy: -91.917 flat angles C4'-P-C4' energy: -91.708 flat angles P-C4'-P energy: -55.512 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: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -889.205656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.205656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.205656 (E_RNA) where: Base-Base interactions energy: -525.779 where: short stacking energy: -268.675 Base-Backbone interact. energy: 3.780 local terms energy: -367.206098 where: bonds (distance) C4'-P energy: -74.501 bonds (distance) P-C4' energy: -98.191 flat angles C4'-P-C4' energy: -86.466 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: -55.889 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: 214 Temperature: 1.300000 Total energy: -617.684096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.684096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.684096 (E_RNA) where: Base-Base interactions energy: -316.678 where: short stacking energy: -177.479 Base-Backbone interact. energy: -0.605 local terms energy: -300.401151 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -88.112 flat angles C4'-P-C4' energy: -72.308 flat angles P-C4'-P energy: -32.349 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -432.255520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.255520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.255520 (E_RNA) where: Base-Base interactions energy: -128.445 where: short stacking energy: -115.913 Base-Backbone interact. energy: -1.604 local terms energy: -302.206532 where: bonds (distance) C4'-P energy: -97.805 bonds (distance) P-C4' energy: -93.406 flat angles C4'-P-C4' energy: -81.710 flat angles P-C4'-P energy: -43.707 tors. eta vs tors. theta energy: 14.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1763.925100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.925100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.925100 (E_RNA) where: Base-Base interactions energy: -1183.539 where: short stacking energy: -552.577 Base-Backbone interact. energy: -0.665 local terms energy: -579.720348 where: bonds (distance) C4'-P energy: -108.616 bonds (distance) P-C4' energy: -105.376 flat angles C4'-P-C4' energy: -120.400 flat angles P-C4'-P energy: -87.140 tors. eta vs tors. theta energy: -158.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1665.724787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.724787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.724787 (E_RNA) where: Base-Base interactions energy: -1113.733 where: short stacking energy: -508.460 Base-Backbone interact. energy: 1.861 local terms energy: -553.852906 where: bonds (distance) C4'-P energy: -99.562 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -109.640 flat angles P-C4'-P energy: -89.786 tors. eta vs tors. theta energy: -137.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1580.048423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.048423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.048423 (E_RNA) where: Base-Base interactions energy: -1052.341 where: short stacking energy: -462.575 Base-Backbone interact. energy: -5.570 local terms energy: -522.136716 where: bonds (distance) C4'-P energy: -104.617 bonds (distance) P-C4' energy: -110.318 flat angles C4'-P-C4' energy: -113.100 flat angles P-C4'-P energy: -75.878 tors. eta vs tors. theta energy: -118.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1500.814078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.814078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.814078 (E_RNA) where: Base-Base interactions energy: -992.779 where: short stacking energy: -444.401 Base-Backbone interact. energy: -4.125 local terms energy: -503.910471 where: bonds (distance) C4'-P energy: -111.485 bonds (distance) P-C4' energy: -104.145 flat angles C4'-P-C4' energy: -101.922 flat angles P-C4'-P energy: -60.085 tors. eta vs tors. theta energy: -126.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1272.528380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.528380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.528380 (E_RNA) where: Base-Base interactions energy: -838.221 where: short stacking energy: -378.883 Base-Backbone interact. energy: 2.605 local terms energy: -436.912371 where: bonds (distance) C4'-P energy: -88.056 bonds (distance) P-C4' energy: -100.963 flat angles C4'-P-C4' energy: -92.455 flat angles P-C4'-P energy: -64.363 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: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1105.582110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.582110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.582110 (E_RNA) where: Base-Base interactions energy: -679.169 where: short stacking energy: -306.548 Base-Backbone interact. energy: 0.434 local terms energy: -426.846883 where: bonds (distance) C4'-P energy: -93.040 bonds (distance) P-C4' energy: -102.938 flat angles C4'-P-C4' energy: -101.667 flat angles P-C4'-P energy: -70.915 tors. eta vs tors. theta energy: -58.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -943.921198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.921198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.921198 (E_RNA) where: Base-Base interactions energy: -529.691 where: short stacking energy: -278.903 Base-Backbone interact. energy: -1.459 local terms energy: -412.771200 where: bonds (distance) C4'-P energy: -90.626 bonds (distance) P-C4' energy: -97.380 flat angles C4'-P-C4' energy: -101.169 flat angles P-C4'-P energy: -69.113 tors. eta vs tors. theta energy: -54.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -889.730242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.730242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.730242 (E_RNA) where: Base-Base interactions energy: -498.426 where: short stacking energy: -227.227 Base-Backbone interact. energy: -2.848 local terms energy: -388.456268 where: bonds (distance) C4'-P energy: -101.698 bonds (distance) P-C4' energy: -92.701 flat angles C4'-P-C4' energy: -90.704 flat angles P-C4'-P energy: -65.810 tors. eta vs tors. theta energy: -37.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -611.306286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.306286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.306286 (E_RNA) where: Base-Base interactions energy: -264.170 where: short stacking energy: -153.723 Base-Backbone interact. energy: -2.542 local terms energy: -344.594981 where: bonds (distance) C4'-P energy: -89.411 bonds (distance) P-C4' energy: -115.035 flat angles C4'-P-C4' energy: -75.079 flat angles P-C4'-P energy: -54.315 tors. eta vs tors. theta energy: -10.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -430.352961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.352961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.352961 (E_RNA) where: Base-Base interactions energy: -134.852 where: short stacking energy: -116.431 Base-Backbone interact. energy: 0.104 local terms energy: -295.604495 where: bonds (distance) C4'-P energy: -74.163 bonds (distance) P-C4' energy: -102.551 flat angles C4'-P-C4' energy: -74.290 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -1.260 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: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1766.014605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.014605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.014605 (E_RNA) where: Base-Base interactions energy: -1176.260 where: short stacking energy: -525.890 Base-Backbone interact. energy: -5.602 local terms energy: -584.152359 where: bonds (distance) C4'-P energy: -112.156 bonds (distance) P-C4' energy: -111.271 flat angles C4'-P-C4' energy: -117.708 flat angles P-C4'-P energy: -89.218 tors. eta vs tors. theta energy: -153.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1639.029347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.029347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.029347 (E_RNA) where: Base-Base interactions energy: -1102.476 where: short stacking energy: -494.318 Base-Backbone interact. energy: -3.023 local terms energy: -533.530273 where: bonds (distance) C4'-P energy: -88.780 bonds (distance) P-C4' energy: -101.406 flat angles C4'-P-C4' energy: -118.560 flat angles P-C4'-P energy: -81.290 tors. eta vs tors. theta energy: -143.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1579.002450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.002450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.002450 (E_RNA) where: Base-Base interactions energy: -1050.981 where: short stacking energy: -471.384 Base-Backbone interact. energy: -3.414 local terms energy: -524.607727 where: bonds (distance) C4'-P energy: -102.989 bonds (distance) P-C4' energy: -101.601 flat angles C4'-P-C4' energy: -112.288 flat angles P-C4'-P energy: -89.356 tors. eta vs tors. theta energy: -118.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1506.221234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.221234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.221234 (E_RNA) where: Base-Base interactions energy: -989.843 where: short stacking energy: -464.232 Base-Backbone interact. energy: -4.529 local terms energy: -511.849142 where: bonds (distance) C4'-P energy: -91.762 bonds (distance) P-C4' energy: -114.658 flat angles C4'-P-C4' energy: -110.962 flat angles P-C4'-P energy: -71.556 tors. eta vs tors. theta energy: -122.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1261.985982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.985982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.985982 (E_RNA) where: Base-Base interactions energy: -807.698 where: short stacking energy: -355.311 Base-Backbone interact. energy: -3.323 local terms energy: -450.964204 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -97.900 flat angles C4'-P-C4' energy: -104.585 flat angles P-C4'-P energy: -64.139 tors. eta vs tors. theta energy: -87.561 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: 216 Temperature: 1.150000 Total energy: -1055.156858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.156858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.156858 (E_RNA) where: Base-Base interactions energy: -659.943 where: short stacking energy: -295.563 Base-Backbone interact. energy: -1.582 local terms energy: -393.631607 where: bonds (distance) C4'-P energy: -86.531 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -95.092 flat angles P-C4'-P energy: -60.386 tors. eta vs tors. theta energy: -49.817 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: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -930.287749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.287749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.287749 (E_RNA) where: Base-Base interactions energy: -536.097 where: short stacking energy: -276.529 Base-Backbone interact. energy: -0.337 local terms energy: -393.854193 where: bonds (distance) C4'-P energy: -75.354 bonds (distance) P-C4' energy: -107.956 flat angles C4'-P-C4' energy: -103.804 flat angles P-C4'-P energy: -52.684 tors. eta vs tors. theta energy: -54.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -899.470601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.470601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.470601 (E_RNA) where: Base-Base interactions energy: -545.965 where: short stacking energy: -259.839 Base-Backbone interact. energy: -4.791 local terms energy: -348.714386 where: bonds (distance) C4'-P energy: -85.158 bonds (distance) P-C4' energy: -89.253 flat angles C4'-P-C4' energy: -78.610 flat angles P-C4'-P energy: -61.647 tors. eta vs tors. theta energy: -34.045 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: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -604.972826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.972826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.972826 (E_RNA) where: Base-Base interactions energy: -246.225 where: short stacking energy: -142.161 Base-Backbone interact. energy: -3.270 local terms energy: -355.477367 where: bonds (distance) C4'-P energy: -99.780 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -101.457 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -23.775 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: 216 Temperature: 1.350000 Total energy: -406.419251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.419251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.419251 (E_RNA) where: Base-Base interactions energy: -129.762 where: short stacking energy: -120.884 Base-Backbone interact. energy: 0.793 local terms energy: -277.450399 where: bonds (distance) C4'-P energy: -85.532 bonds (distance) P-C4' energy: -100.085 flat angles C4'-P-C4' energy: -62.420 flat angles P-C4'-P energy: -36.779 tors. eta vs tors. theta energy: 7.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1804.797575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.797575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.797575 (E_RNA) where: Base-Base interactions energy: -1220.319 where: short stacking energy: -549.669 Base-Backbone interact. energy: -3.150 local terms energy: -581.328079 where: bonds (distance) C4'-P energy: -116.155 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -126.359 flat angles P-C4'-P energy: -78.305 tors. eta vs tors. theta energy: -153.684 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: 217 Temperature: 0.950000 Total energy: -1620.177367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.177367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.177367 (E_RNA) where: Base-Base interactions energy: -1089.471 where: short stacking energy: -491.601 Base-Backbone interact. energy: -0.960 local terms energy: -529.746761 where: bonds (distance) C4'-P energy: -102.093 bonds (distance) P-C4' energy: -111.075 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -73.952 tors. eta vs tors. theta energy: -128.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1593.113209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.113209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.113209 (E_RNA) where: Base-Base interactions energy: -1063.826 where: short stacking energy: -457.003 Base-Backbone interact. energy: 1.539 local terms energy: -530.826094 where: bonds (distance) C4'-P energy: -99.532 bonds (distance) P-C4' energy: -105.448 flat angles C4'-P-C4' energy: -126.023 flat angles P-C4'-P energy: -76.183 tors. eta vs tors. theta energy: -123.640 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: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1516.164366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.164366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.164366 (E_RNA) where: Base-Base interactions energy: -1000.156 where: short stacking energy: -464.423 Base-Backbone interact. energy: -0.213 local terms energy: -515.795125 where: bonds (distance) C4'-P energy: -100.192 bonds (distance) P-C4' energy: -102.078 flat angles C4'-P-C4' energy: -110.241 flat angles P-C4'-P energy: -72.988 tors. eta vs tors. theta energy: -130.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1267.187592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.187592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.187592 (E_RNA) where: Base-Base interactions energy: -828.066 where: short stacking energy: -376.349 Base-Backbone interact. energy: -2.081 local terms energy: -437.040540 where: bonds (distance) C4'-P energy: -89.591 bonds (distance) P-C4' energy: -82.291 flat angles C4'-P-C4' energy: -100.914 flat angles P-C4'-P energy: -64.767 tors. eta vs tors. theta energy: -99.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1131.406839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.406839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.406839 (E_RNA) where: Base-Base interactions energy: -700.481 where: short stacking energy: -324.621 Base-Backbone interact. energy: -3.249 local terms energy: -427.676778 where: bonds (distance) C4'-P energy: -94.727 bonds (distance) P-C4' energy: -90.906 flat angles C4'-P-C4' energy: -99.481 flat angles P-C4'-P energy: -75.397 tors. eta vs tors. theta energy: -67.166 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: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -881.847376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.847376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.847376 (E_RNA) where: Base-Base interactions energy: -507.130 where: short stacking energy: -270.984 Base-Backbone interact. energy: 3.396 local terms energy: -378.112787 where: bonds (distance) C4'-P energy: -95.185 bonds (distance) P-C4' energy: -89.642 flat angles C4'-P-C4' energy: -90.478 flat angles P-C4'-P energy: -60.683 tors. eta vs tors. theta energy: -42.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -858.042431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.042431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.042431 (E_RNA) where: Base-Base interactions energy: -522.730 where: short stacking energy: -237.137 Base-Backbone interact. energy: 1.350 local terms energy: -336.662645 where: bonds (distance) C4'-P energy: -83.729 bonds (distance) P-C4' energy: -77.823 flat angles C4'-P-C4' energy: -75.445 flat angles P-C4'-P energy: -64.004 tors. eta vs tors. theta energy: -35.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -611.161760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.161760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.161760 (E_RNA) where: Base-Base interactions energy: -296.015 where: short stacking energy: -182.114 Base-Backbone interact. energy: 1.013 local terms energy: -316.160201 where: bonds (distance) C4'-P energy: -95.028 bonds (distance) P-C4' energy: -104.142 flat angles C4'-P-C4' energy: -82.450 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: 10.617 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: 10, replica: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -480.306273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.306273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.306273 (E_RNA) where: Base-Base interactions energy: -201.330 where: short stacking energy: -98.770 Base-Backbone interact. energy: 0.812 local terms energy: -279.788644 where: bonds (distance) C4'-P energy: -93.792 bonds (distance) P-C4' energy: -86.877 flat angles C4'-P-C4' energy: -74.334 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: 22.639 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: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1785.885880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.885880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.885880 (E_RNA) where: Base-Base interactions energy: -1210.448 where: short stacking energy: -524.584 Base-Backbone interact. energy: -0.659 local terms energy: -574.779052 where: bonds (distance) C4'-P energy: -115.291 bonds (distance) P-C4' energy: -110.509 flat angles C4'-P-C4' energy: -115.089 flat angles P-C4'-P energy: -81.893 tors. eta vs tors. theta energy: -151.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1642.867750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.867750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.867750 (E_RNA) where: Base-Base interactions energy: -1077.528 where: short stacking energy: -490.176 Base-Backbone interact. energy: -4.897 local terms energy: -560.443012 where: bonds (distance) C4'-P energy: -115.452 bonds (distance) P-C4' energy: -107.854 flat angles C4'-P-C4' energy: -119.934 flat angles P-C4'-P energy: -85.343 tors. eta vs tors. theta energy: -131.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1583.484624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.484624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.484624 (E_RNA) where: Base-Base interactions energy: -1084.555 where: short stacking energy: -474.742 Base-Backbone interact. energy: -1.669 local terms energy: -497.260181 where: bonds (distance) C4'-P energy: -91.326 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -122.513 flat angles P-C4'-P energy: -64.340 tors. eta vs tors. theta energy: -117.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1498.409909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.409909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.409909 (E_RNA) where: Base-Base interactions energy: -991.748 where: short stacking energy: -444.892 Base-Backbone interact. energy: -3.928 local terms energy: -502.733944 where: bonds (distance) C4'-P energy: -94.810 bonds (distance) P-C4' energy: -102.019 flat angles C4'-P-C4' energy: -104.493 flat angles P-C4'-P energy: -81.556 tors. eta vs tors. theta energy: -119.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1338.151849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.151849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.151849 (E_RNA) where: Base-Base interactions energy: -859.473 where: short stacking energy: -409.149 Base-Backbone interact. energy: -1.783 local terms energy: -476.896530 where: bonds (distance) C4'-P energy: -84.403 bonds (distance) P-C4' energy: -101.112 flat angles C4'-P-C4' energy: -104.507 flat angles P-C4'-P energy: -69.237 tors. eta vs tors. theta energy: -117.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1130.343122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.343122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.343122 (E_RNA) where: Base-Base interactions energy: -724.736 where: short stacking energy: -318.593 Base-Backbone interact. energy: 1.164 local terms energy: -406.771766 where: bonds (distance) C4'-P energy: -83.183 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -98.758 flat angles P-C4'-P energy: -62.504 tors. eta vs tors. theta energy: -66.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -883.807221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.807221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.807221 (E_RNA) where: Base-Base interactions energy: -497.882 where: short stacking energy: -243.273 Base-Backbone interact. energy: -1.942 local terms energy: -383.983401 where: bonds (distance) C4'-P energy: -108.304 bonds (distance) P-C4' energy: -98.244 flat angles C4'-P-C4' energy: -87.964 flat angles P-C4'-P energy: -58.854 tors. eta vs tors. theta energy: -30.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -856.613700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.613700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.613700 (E_RNA) where: Base-Base interactions energy: -463.093 where: short stacking energy: -248.084 Base-Backbone interact. energy: 2.835 local terms energy: -396.354908 where: bonds (distance) C4'-P energy: -88.484 bonds (distance) P-C4' energy: -108.472 flat angles C4'-P-C4' energy: -91.943 flat angles P-C4'-P energy: -68.944 tors. eta vs tors. theta energy: -38.512 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: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -572.721172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.721172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.721172 (E_RNA) where: Base-Base interactions energy: -264.861 where: short stacking energy: -158.563 Base-Backbone interact. energy: -0.056 local terms energy: -307.804101 where: bonds (distance) C4'-P energy: -85.594 bonds (distance) P-C4' energy: -98.850 flat angles C4'-P-C4' energy: -80.746 flat angles P-C4'-P energy: -47.793 tors. eta vs tors. theta energy: 5.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -491.766898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.766898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.766898 (E_RNA) where: Base-Base interactions energy: -213.975 where: short stacking energy: -139.006 Base-Backbone interact. energy: -1.447 local terms energy: -276.344873 where: bonds (distance) C4'-P energy: -76.162 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -55.478 tors. eta vs tors. theta energy: 18.237 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: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1788.166314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.166314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.166314 (E_RNA) where: Base-Base interactions energy: -1214.940 where: short stacking energy: -527.889 Base-Backbone interact. energy: -2.258 local terms energy: -570.968462 where: bonds (distance) C4'-P energy: -108.541 bonds (distance) P-C4' energy: -118.040 flat angles C4'-P-C4' energy: -118.542 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -153.468 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: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1661.920938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.920938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.920938 (E_RNA) where: Base-Base interactions energy: -1086.794 where: short stacking energy: -486.440 Base-Backbone interact. energy: -2.462 local terms energy: -572.665085 where: bonds (distance) C4'-P energy: -108.556 bonds (distance) P-C4' energy: -120.840 flat angles C4'-P-C4' energy: -129.178 flat angles P-C4'-P energy: -85.906 tors. eta vs tors. theta energy: -128.186 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: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1590.880107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.880107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.880107 (E_RNA) where: Base-Base interactions energy: -1061.931 where: short stacking energy: -472.831 Base-Backbone interact. energy: 4.483 local terms energy: -533.431183 where: bonds (distance) C4'-P energy: -92.591 bonds (distance) P-C4' energy: -103.097 flat angles C4'-P-C4' energy: -123.359 flat angles P-C4'-P energy: -80.859 tors. eta vs tors. theta energy: -133.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1481.566512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.566512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.566512 (E_RNA) where: Base-Base interactions energy: -979.943 where: short stacking energy: -469.126 Base-Backbone interact. energy: -1.640 local terms energy: -499.983834 where: bonds (distance) C4'-P energy: -98.053 bonds (distance) P-C4' energy: -97.878 flat angles C4'-P-C4' energy: -110.606 flat angles P-C4'-P energy: -76.005 tors. eta vs tors. theta energy: -117.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1313.393350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.393350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.393350 (E_RNA) where: Base-Base interactions energy: -848.237 where: short stacking energy: -404.943 Base-Backbone interact. energy: -3.427 local terms energy: -461.729592 where: bonds (distance) C4'-P energy: -114.225 bonds (distance) P-C4' energy: -94.999 flat angles C4'-P-C4' energy: -112.960 flat angles P-C4'-P energy: -38.241 tors. eta vs tors. theta energy: -101.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1060.786666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.786666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.786666 (E_RNA) where: Base-Base interactions energy: -646.207 where: short stacking energy: -310.407 Base-Backbone interact. energy: -0.167 local terms energy: -414.412521 where: bonds (distance) C4'-P energy: -97.574 bonds (distance) P-C4' energy: -108.203 flat angles C4'-P-C4' energy: -93.784 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -66.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -838.407952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.407952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.407952 (E_RNA) where: Base-Base interactions energy: -437.821 where: short stacking energy: -242.192 Base-Backbone interact. energy: -1.181 local terms energy: -399.406221 where: bonds (distance) C4'-P energy: -97.632 bonds (distance) P-C4' energy: -108.032 flat angles C4'-P-C4' energy: -86.584 flat angles P-C4'-P energy: -66.279 tors. eta vs tors. theta energy: -40.880 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: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -844.901234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.901234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.901234 (E_RNA) where: Base-Base interactions energy: -519.173 where: short stacking energy: -276.925 Base-Backbone interact. energy: 0.319 local terms energy: -326.046945 where: bonds (distance) C4'-P energy: -83.920 bonds (distance) P-C4' energy: -85.721 flat angles C4'-P-C4' energy: -69.340 flat angles P-C4'-P energy: -46.692 tors. eta vs tors. theta energy: -40.375 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: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -632.342523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.342523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.342523 (E_RNA) where: Base-Base interactions energy: -322.753 where: short stacking energy: -181.033 Base-Backbone interact. energy: -0.430 local terms energy: -309.159404 where: bonds (distance) C4'-P energy: -102.839 bonds (distance) P-C4' energy: -89.133 flat angles C4'-P-C4' energy: -82.327 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: 0.252 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: 219 Temperature: 1.350000 Total energy: -425.384338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.384338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.384338 (E_RNA) where: Base-Base interactions energy: -129.788 where: short stacking energy: -102.046 Base-Backbone interact. energy: -1.986 local terms energy: -293.610225 where: bonds (distance) C4'-P energy: -93.123 bonds (distance) P-C4' energy: -100.683 flat angles C4'-P-C4' energy: -84.035 flat angles P-C4'-P energy: -47.657 tors. eta vs tors. theta energy: 31.888 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: 220 Temperature: 0.900000 Total energy: -1827.551855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.551855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.551855 (E_RNA) where: Base-Base interactions energy: -1246.969 where: short stacking energy: -574.033 Base-Backbone interact. energy: -3.099 local terms energy: -577.483900 where: bonds (distance) C4'-P energy: -99.662 bonds (distance) P-C4' energy: -111.876 flat angles C4'-P-C4' energy: -116.155 flat angles P-C4'-P energy: -82.104 tors. eta vs tors. theta energy: -167.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1663.856229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.856229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.856229 (E_RNA) where: Base-Base interactions energy: -1116.751 where: short stacking energy: -515.999 Base-Backbone interact. energy: -5.817 local terms energy: -541.288007 where: bonds (distance) C4'-P energy: -111.084 bonds (distance) P-C4' energy: -98.416 flat angles C4'-P-C4' energy: -118.370 flat angles P-C4'-P energy: -67.925 tors. eta vs tors. theta energy: -145.494 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: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1599.161667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.161667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.161667 (E_RNA) where: Base-Base interactions energy: -1085.808 where: short stacking energy: -474.884 Base-Backbone interact. energy: -3.217 local terms energy: -510.137124 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -97.978 flat angles C4'-P-C4' energy: -118.522 flat angles P-C4'-P energy: -71.165 tors. eta vs tors. theta energy: -129.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1490.837732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.837732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.837732 (E_RNA) where: Base-Base interactions energy: -981.745 where: short stacking energy: -482.238 Base-Backbone interact. energy: 2.117 local terms energy: -511.208890 where: bonds (distance) C4'-P energy: -88.052 bonds (distance) P-C4' energy: -94.998 flat angles C4'-P-C4' energy: -115.315 flat angles P-C4'-P energy: -87.666 tors. eta vs tors. theta energy: -125.177 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: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1339.696198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.696198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.696198 (E_RNA) where: Base-Base interactions energy: -847.220 where: short stacking energy: -416.822 Base-Backbone interact. energy: -2.600 local terms energy: -489.876676 where: bonds (distance) C4'-P energy: -105.154 bonds (distance) P-C4' energy: -111.711 flat angles C4'-P-C4' energy: -100.449 flat angles P-C4'-P energy: -67.223 tors. eta vs tors. theta energy: -105.339 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: 220 Temperature: 1.150000 Total energy: -1103.005773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.005773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.005773 (E_RNA) where: Base-Base interactions energy: -690.978 where: short stacking energy: -321.564 Base-Backbone interact. energy: 0.058 local terms energy: -412.085826 where: bonds (distance) C4'-P energy: -95.890 bonds (distance) P-C4' energy: -102.983 flat angles C4'-P-C4' energy: -105.354 flat angles P-C4'-P energy: -43.305 tors. eta vs tors. theta energy: -64.555 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: 7, replica: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -968.806356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.806356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.806356 (E_RNA) where: Base-Base interactions energy: -573.071 where: short stacking energy: -262.839 Base-Backbone interact. energy: 7.692 local terms energy: -403.426888 where: bonds (distance) C4'-P energy: -89.612 bonds (distance) P-C4' energy: -93.527 flat angles C4'-P-C4' energy: -109.803 flat angles P-C4'-P energy: -59.584 tors. eta vs tors. theta energy: -50.901 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: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -828.773023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.773023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.773023 (E_RNA) where: Base-Base interactions energy: -465.693 where: short stacking energy: -256.365 Base-Backbone interact. energy: -2.054 local terms energy: -361.025770 where: bonds (distance) C4'-P energy: -87.777 bonds (distance) P-C4' energy: -99.557 flat angles C4'-P-C4' energy: -101.633 flat angles P-C4'-P energy: -30.598 tors. eta vs tors. theta energy: -41.460 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: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -668.976437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.976437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.976437 (E_RNA) where: Base-Base interactions energy: -342.883 where: short stacking energy: -201.325 Base-Backbone interact. energy: 4.761 local terms energy: -330.854440 where: bonds (distance) C4'-P energy: -73.161 bonds (distance) P-C4' energy: -99.374 flat angles C4'-P-C4' energy: -96.217 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -465.828427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.828427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.828427 (E_RNA) where: Base-Base interactions energy: -178.128 where: short stacking energy: -132.945 Base-Backbone interact. energy: 0.242 local terms energy: -287.942504 where: bonds (distance) C4'-P energy: -81.911 bonds (distance) P-C4' energy: -87.344 flat angles C4'-P-C4' energy: -87.817 flat angles P-C4'-P energy: -46.035 tors. eta vs tors. theta energy: 15.165 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: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1824.979042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.979042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.979042 (E_RNA) where: Base-Base interactions energy: -1232.519 where: short stacking energy: -529.880 Base-Backbone interact. energy: 3.080 local terms energy: -595.539481 where: bonds (distance) C4'-P energy: -109.119 bonds (distance) P-C4' energy: -114.548 flat angles C4'-P-C4' energy: -125.310 flat angles P-C4'-P energy: -81.977 tors. eta vs tors. theta energy: -164.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1636.553058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.553058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.553058 (E_RNA) where: Base-Base interactions energy: -1095.801 where: short stacking energy: -484.925 Base-Backbone interact. energy: -3.988 local terms energy: -536.763487 where: bonds (distance) C4'-P energy: -110.832 bonds (distance) P-C4' energy: -110.192 flat angles C4'-P-C4' energy: -123.752 flat angles P-C4'-P energy: -70.396 tors. eta vs tors. theta energy: -121.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1578.504642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.504642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.504642 (E_RNA) where: Base-Base interactions energy: -1077.635 where: short stacking energy: -480.193 Base-Backbone interact. energy: -3.796 local terms energy: -497.073726 where: bonds (distance) C4'-P energy: -95.688 bonds (distance) P-C4' energy: -106.545 flat angles C4'-P-C4' energy: -113.991 flat angles P-C4'-P energy: -65.022 tors. eta vs tors. theta energy: -115.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1491.117429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.117429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.117429 (E_RNA) where: Base-Base interactions energy: -965.376 where: short stacking energy: -471.579 Base-Backbone interact. energy: -1.637 local terms energy: -524.104968 where: bonds (distance) C4'-P energy: -96.417 bonds (distance) P-C4' energy: -113.955 flat angles C4'-P-C4' energy: -117.749 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -123.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1373.203420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.203420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.203420 (E_RNA) where: Base-Base interactions energy: -902.343 where: short stacking energy: -426.687 Base-Backbone interact. energy: -4.587 local terms energy: -466.272570 where: bonds (distance) C4'-P energy: -93.707 bonds (distance) P-C4' energy: -99.003 flat angles C4'-P-C4' energy: -97.930 flat angles P-C4'-P energy: -72.674 tors. eta vs tors. theta energy: -102.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1163.220792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.220792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.220792 (E_RNA) where: Base-Base interactions energy: -732.010 where: short stacking energy: -341.082 Base-Backbone interact. energy: -2.116 local terms energy: -429.095126 where: bonds (distance) C4'-P energy: -84.926 bonds (distance) P-C4' energy: -99.763 flat angles C4'-P-C4' energy: -96.448 flat angles P-C4'-P energy: -71.924 tors. eta vs tors. theta energy: -76.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -909.622600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.622600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.622600 (E_RNA) where: Base-Base interactions energy: -529.805 where: short stacking energy: -266.190 Base-Backbone interact. energy: 0.575 local terms energy: -380.393352 where: bonds (distance) C4'-P energy: -79.953 bonds (distance) P-C4' energy: -111.525 flat angles C4'-P-C4' energy: -89.236 flat angles P-C4'-P energy: -59.245 tors. eta vs tors. theta energy: -40.435 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: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -822.948355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.948355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.948355 (E_RNA) where: Base-Base interactions energy: -477.672 where: short stacking energy: -257.836 Base-Backbone interact. energy: 2.249 local terms energy: -347.525212 where: bonds (distance) C4'-P energy: -86.984 bonds (distance) P-C4' energy: -96.190 flat angles C4'-P-C4' energy: -92.191 flat angles P-C4'-P energy: -47.334 tors. eta vs tors. theta energy: -24.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -638.276677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.276677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.276677 (E_RNA) where: Base-Base interactions energy: -338.084 where: short stacking energy: -191.984 Base-Backbone interact. energy: 0.640 local terms energy: -300.832215 where: bonds (distance) C4'-P energy: -68.878 bonds (distance) P-C4' energy: -83.500 flat angles C4'-P-C4' energy: -79.758 flat angles P-C4'-P energy: -57.578 tors. eta vs tors. theta energy: -11.118 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: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -439.159546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.159546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.159546 (E_RNA) where: Base-Base interactions energy: -148.543 where: short stacking energy: -103.232 Base-Backbone interact. energy: -0.547 local terms energy: -290.069649 where: bonds (distance) C4'-P energy: -87.840 bonds (distance) P-C4' energy: -105.564 flat angles C4'-P-C4' energy: -66.846 flat angles P-C4'-P energy: -59.543 tors. eta vs tors. theta energy: 29.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1803.629640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.629640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.629640 (E_RNA) where: Base-Base interactions energy: -1229.345 where: short stacking energy: -539.257 Base-Backbone interact. energy: 1.488 local terms energy: -575.771869 where: bonds (distance) C4'-P energy: -110.395 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -122.624 flat angles P-C4'-P energy: -81.120 tors. eta vs tors. theta energy: -154.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1633.159332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.159332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.159332 (E_RNA) where: Base-Base interactions energy: -1091.957 where: short stacking energy: -500.999 Base-Backbone interact. energy: -2.065 local terms energy: -539.138171 where: bonds (distance) C4'-P energy: -101.511 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -110.298 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: -132.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1529.449174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.449174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.449174 (E_RNA) where: Base-Base interactions energy: -1041.731 where: short stacking energy: -460.175 Base-Backbone interact. energy: 0.425 local terms energy: -488.143915 where: bonds (distance) C4'-P energy: -104.566 bonds (distance) P-C4' energy: -88.578 flat angles C4'-P-C4' energy: -103.879 flat angles P-C4'-P energy: -79.971 tors. eta vs tors. theta energy: -111.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1492.113914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.113914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.113914 (E_RNA) where: Base-Base interactions energy: -981.363 where: short stacking energy: -466.961 Base-Backbone interact. energy: -2.189 local terms energy: -508.562004 where: bonds (distance) C4'-P energy: -102.370 bonds (distance) P-C4' energy: -101.081 flat angles C4'-P-C4' energy: -104.024 flat angles P-C4'-P energy: -69.981 tors. eta vs tors. theta energy: -131.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1401.586299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.586299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.586299 (E_RNA) where: Base-Base interactions energy: -916.118 where: short stacking energy: -409.223 Base-Backbone interact. energy: -2.391 local terms energy: -483.076518 where: bonds (distance) C4'-P energy: -85.722 bonds (distance) P-C4' energy: -109.786 flat angles C4'-P-C4' energy: -106.237 flat angles P-C4'-P energy: -65.890 tors. eta vs tors. theta energy: -115.442 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: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1086.991523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.991523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.991523 (E_RNA) where: Base-Base interactions energy: -682.934 where: short stacking energy: -319.343 Base-Backbone interact. energy: 1.861 local terms energy: -405.918645 where: bonds (distance) C4'-P energy: -91.243 bonds (distance) P-C4' energy: -88.794 flat angles C4'-P-C4' energy: -94.801 flat angles P-C4'-P energy: -68.327 tors. eta vs tors. theta energy: -62.754 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: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -966.713076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.713076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.713076 (E_RNA) where: Base-Base interactions energy: -575.801 where: short stacking energy: -281.493 Base-Backbone interact. energy: 2.060 local terms energy: -392.972882 where: bonds (distance) C4'-P energy: -88.625 bonds (distance) P-C4' energy: -101.122 flat angles C4'-P-C4' energy: -94.919 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -56.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -796.742578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.742578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.742578 (E_RNA) where: Base-Base interactions energy: -424.861 where: short stacking energy: -222.792 Base-Backbone interact. energy: 4.986 local terms energy: -376.867209 where: bonds (distance) C4'-P energy: -88.135 bonds (distance) P-C4' energy: -97.037 flat angles C4'-P-C4' energy: -96.824 flat angles P-C4'-P energy: -52.805 tors. eta vs tors. theta energy: -42.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -625.096208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.096208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.096208 (E_RNA) where: Base-Base interactions energy: -292.781 where: short stacking energy: -182.662 Base-Backbone interact. energy: 0.850 local terms energy: -333.165673 where: bonds (distance) C4'-P energy: -89.588 bonds (distance) P-C4' energy: -96.068 flat angles C4'-P-C4' energy: -85.689 flat angles P-C4'-P energy: -56.325 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -465.132814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.132814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.132814 (E_RNA) where: Base-Base interactions energy: -152.075 where: short stacking energy: -124.476 Base-Backbone interact. energy: -0.748 local terms energy: -312.310164 where: bonds (distance) C4'-P energy: -103.319 bonds (distance) P-C4' energy: -89.335 flat angles C4'-P-C4' energy: -71.399 flat angles P-C4'-P energy: -58.142 tors. eta vs tors. theta energy: 9.886 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: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1792.941160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.941160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.941160 (E_RNA) where: Base-Base interactions energy: -1204.651 where: short stacking energy: -536.428 Base-Backbone interact. energy: 0.742 local terms energy: -589.032029 where: bonds (distance) C4'-P energy: -109.164 bonds (distance) P-C4' energy: -116.765 flat angles C4'-P-C4' energy: -126.610 flat angles P-C4'-P energy: -79.357 tors. eta vs tors. theta energy: -157.136 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: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1649.279583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.279583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.279583 (E_RNA) where: Base-Base interactions energy: -1089.062 where: short stacking energy: -497.401 Base-Backbone interact. energy: -0.232 local terms energy: -559.985785 where: bonds (distance) C4'-P energy: -110.658 bonds (distance) P-C4' energy: -110.124 flat angles C4'-P-C4' energy: -116.938 flat angles P-C4'-P energy: -86.811 tors. eta vs tors. theta energy: -135.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1553.253965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.253965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.253965 (E_RNA) where: Base-Base interactions energy: -1034.993 where: short stacking energy: -454.082 Base-Backbone interact. energy: -0.510 local terms energy: -517.751650 where: bonds (distance) C4'-P energy: -99.618 bonds (distance) P-C4' energy: -116.383 flat angles C4'-P-C4' energy: -114.500 flat angles P-C4'-P energy: -68.782 tors. eta vs tors. theta energy: -118.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1493.840492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.840492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.840492 (E_RNA) where: Base-Base interactions energy: -982.070 where: short stacking energy: -465.899 Base-Backbone interact. energy: -0.429 local terms energy: -511.341284 where: bonds (distance) C4'-P energy: -101.458 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -117.858 flat angles P-C4'-P energy: -79.205 tors. eta vs tors. theta energy: -121.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1376.163410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.163410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.163410 (E_RNA) where: Base-Base interactions energy: -904.361 where: short stacking energy: -408.101 Base-Backbone interact. energy: -3.852 local terms energy: -467.949778 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -106.140 flat angles C4'-P-C4' energy: -108.641 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -101.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1120.662949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.662949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.662949 (E_RNA) where: Base-Base interactions energy: -689.092 where: short stacking energy: -336.633 Base-Backbone interact. energy: -1.974 local terms energy: -429.596506 where: bonds (distance) C4'-P energy: -103.743 bonds (distance) P-C4' energy: -98.283 flat angles C4'-P-C4' energy: -96.921 flat angles P-C4'-P energy: -59.052 tors. eta vs tors. theta energy: -71.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -861.826273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.826273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.826273 (E_RNA) where: Base-Base interactions energy: -486.553 where: short stacking energy: -237.378 Base-Backbone interact. energy: -0.436 local terms energy: -374.836598 where: bonds (distance) C4'-P energy: -95.492 bonds (distance) P-C4' energy: -107.357 flat angles C4'-P-C4' energy: -92.236 flat angles P-C4'-P energy: -48.996 tors. eta vs tors. theta energy: -30.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -817.531123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.531123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.531123 (E_RNA) where: Base-Base interactions energy: -449.069 where: short stacking energy: -252.828 Base-Backbone interact. energy: -2.168 local terms energy: -366.294600 where: bonds (distance) C4'-P energy: -93.287 bonds (distance) P-C4' energy: -90.417 flat angles C4'-P-C4' energy: -91.341 flat angles P-C4'-P energy: -54.690 tors. eta vs tors. theta energy: -36.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -638.865046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.865046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.865046 (E_RNA) where: Base-Base interactions energy: -310.832 where: short stacking energy: -186.316 Base-Backbone interact. energy: -1.030 local terms energy: -327.002478 where: bonds (distance) C4'-P energy: -98.799 bonds (distance) P-C4' energy: -93.147 flat angles C4'-P-C4' energy: -79.726 flat angles P-C4'-P energy: -44.014 tors. eta vs tors. theta energy: -11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -435.235574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.235574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.235574 (E_RNA) where: Base-Base interactions energy: -152.325 where: short stacking energy: -129.607 Base-Backbone interact. energy: 0.121 local terms energy: -283.032242 where: bonds (distance) C4'-P energy: -85.854 bonds (distance) P-C4' energy: -101.560 flat angles C4'-P-C4' energy: -75.494 flat angles P-C4'-P energy: -32.590 tors. eta vs tors. theta energy: 12.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1814.501725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.501725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.501725 (E_RNA) where: Base-Base interactions energy: -1215.023 where: short stacking energy: -536.073 Base-Backbone interact. energy: -4.522 local terms energy: -594.956364 where: bonds (distance) C4'-P energy: -106.635 bonds (distance) P-C4' energy: -107.671 flat angles C4'-P-C4' energy: -129.657 flat angles P-C4'-P energy: -85.509 tors. eta vs tors. theta energy: -165.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1653.968448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.968448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.968448 (E_RNA) where: Base-Base interactions energy: -1095.315 where: short stacking energy: -492.726 Base-Backbone interact. energy: -3.512 local terms energy: -555.142022 where: bonds (distance) C4'-P energy: -110.097 bonds (distance) P-C4' energy: -113.745 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -86.863 tors. eta vs tors. theta energy: -133.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1583.489965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.489965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.489965 (E_RNA) where: Base-Base interactions energy: -1068.649 where: short stacking energy: -471.325 Base-Backbone interact. energy: -2.733 local terms energy: -512.107829 where: bonds (distance) C4'-P energy: -102.082 bonds (distance) P-C4' energy: -106.642 flat angles C4'-P-C4' energy: -113.239 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -118.283 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: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1497.788158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.788158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.788158 (E_RNA) where: Base-Base interactions energy: -980.231 where: short stacking energy: -474.708 Base-Backbone interact. energy: -2.118 local terms energy: -515.439319 where: bonds (distance) C4'-P energy: -95.566 bonds (distance) P-C4' energy: -91.853 flat angles C4'-P-C4' energy: -126.504 flat angles P-C4'-P energy: -63.063 tors. eta vs tors. theta energy: -138.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1360.023812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.023812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.023812 (E_RNA) where: Base-Base interactions energy: -880.923 where: short stacking energy: -422.879 Base-Backbone interact. energy: 1.933 local terms energy: -481.033156 where: bonds (distance) C4'-P energy: -97.756 bonds (distance) P-C4' energy: -91.653 flat angles C4'-P-C4' energy: -111.649 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -113.871 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: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1083.574960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.574960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.574960 (E_RNA) where: Base-Base interactions energy: -645.396 where: short stacking energy: -300.041 Base-Backbone interact. energy: -1.400 local terms energy: -436.778938 where: bonds (distance) C4'-P energy: -107.510 bonds (distance) P-C4' energy: -106.081 flat angles C4'-P-C4' energy: -93.441 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -55.513 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: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -841.323974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.323974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.323974 (E_RNA) where: Base-Base interactions energy: -472.600 where: short stacking energy: -246.987 Base-Backbone interact. energy: -3.353 local terms energy: -365.370773 where: bonds (distance) C4'-P energy: -112.231 bonds (distance) P-C4' energy: -101.342 flat angles C4'-P-C4' energy: -75.663 flat angles P-C4'-P energy: -56.549 tors. eta vs tors. theta energy: -19.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -798.056358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.056358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.056358 (E_RNA) where: Base-Base interactions energy: -440.128 where: short stacking energy: -213.519 Base-Backbone interact. energy: -3.657 local terms energy: -354.271380 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -97.619 flat angles C4'-P-C4' energy: -88.515 flat angles P-C4'-P energy: -53.393 tors. eta vs tors. theta energy: -32.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -591.291866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.291866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.291866 (E_RNA) where: Base-Base interactions energy: -290.746 where: short stacking energy: -147.605 Base-Backbone interact. energy: -1.602 local terms energy: -298.943822 where: bonds (distance) C4'-P energy: -89.561 bonds (distance) P-C4' energy: -96.883 flat angles C4'-P-C4' energy: -88.179 flat angles P-C4'-P energy: -36.074 tors. eta vs tors. theta energy: 11.753 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: 224 Temperature: 1.350000 Total energy: -437.242021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.242021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.242021 (E_RNA) where: Base-Base interactions energy: -146.749 where: short stacking energy: -123.694 Base-Backbone interact. energy: 6.206 local terms energy: -296.699856 where: bonds (distance) C4'-P energy: -89.023 bonds (distance) P-C4' energy: -88.736 flat angles C4'-P-C4' energy: -98.374 flat angles P-C4'-P energy: -51.348 tors. eta vs tors. theta energy: 30.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1810.609137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.609137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.609137 (E_RNA) where: Base-Base interactions energy: -1216.013 where: short stacking energy: -572.170 Base-Backbone interact. energy: -1.800 local terms energy: -592.796730 where: bonds (distance) C4'-P energy: -99.287 bonds (distance) P-C4' energy: -122.718 flat angles C4'-P-C4' energy: -128.695 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -157.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1643.999002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.999002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.999002 (E_RNA) where: Base-Base interactions energy: -1101.926 where: short stacking energy: -525.909 Base-Backbone interact. energy: 0.865 local terms energy: -542.937833 where: bonds (distance) C4'-P energy: -107.658 bonds (distance) P-C4' energy: -104.692 flat angles C4'-P-C4' energy: -119.235 flat angles P-C4'-P energy: -84.956 tors. eta vs tors. theta energy: -126.396 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: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1560.720911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.720911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.720911 (E_RNA) where: Base-Base interactions energy: -1053.750 where: short stacking energy: -451.919 Base-Backbone interact. energy: 0.977 local terms energy: -507.947608 where: bonds (distance) C4'-P energy: -94.385 bonds (distance) P-C4' energy: -108.976 flat angles C4'-P-C4' energy: -113.850 flat angles P-C4'-P energy: -71.566 tors. eta vs tors. theta energy: -119.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1520.074202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.074202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.074202 (E_RNA) where: Base-Base interactions energy: -993.119 where: short stacking energy: -473.018 Base-Backbone interact. energy: -1.280 local terms energy: -525.674727 where: bonds (distance) C4'-P energy: -84.264 bonds (distance) P-C4' energy: -105.069 flat angles C4'-P-C4' energy: -113.053 flat angles P-C4'-P energy: -80.039 tors. eta vs tors. theta energy: -143.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1333.542592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.542592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.542592 (E_RNA) where: Base-Base interactions energy: -856.905 where: short stacking energy: -403.215 Base-Backbone interact. energy: 1.379 local terms energy: -478.016711 where: bonds (distance) C4'-P energy: -101.703 bonds (distance) P-C4' energy: -91.754 flat angles C4'-P-C4' energy: -104.980 flat angles P-C4'-P energy: -78.112 tors. eta vs tors. theta energy: -101.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1164.528679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.528679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.528679 (E_RNA) where: Base-Base interactions energy: -740.823 where: short stacking energy: -337.100 Base-Backbone interact. energy: 0.191 local terms energy: -423.897018 where: bonds (distance) C4'-P energy: -92.612 bonds (distance) P-C4' energy: -98.886 flat angles C4'-P-C4' energy: -96.206 flat angles P-C4'-P energy: -66.298 tors. eta vs tors. theta energy: -69.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -868.667785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.667785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.667785 (E_RNA) where: Base-Base interactions energy: -510.307 where: short stacking energy: -257.480 Base-Backbone interact. energy: 1.161 local terms energy: -359.521343 where: bonds (distance) C4'-P energy: -87.706 bonds (distance) P-C4' energy: -90.150 flat angles C4'-P-C4' energy: -76.426 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -38.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -823.157896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.157896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.157896 (E_RNA) where: Base-Base interactions energy: -450.890 where: short stacking energy: -236.850 Base-Backbone interact. energy: -1.419 local terms energy: -370.849559 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -77.531 flat angles C4'-P-C4' energy: -102.900 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -44.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -616.705230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.705230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.705230 (E_RNA) where: Base-Base interactions energy: -302.686 where: short stacking energy: -202.426 Base-Backbone interact. energy: 0.734 local terms energy: -314.753354 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -91.921 flat angles C4'-P-C4' energy: -80.653 flat angles P-C4'-P energy: -57.522 tors. eta vs tors. theta energy: 11.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -433.498896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.498896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.498896 (E_RNA) where: Base-Base interactions energy: -151.057 where: short stacking energy: -128.500 Base-Backbone interact. energy: 0.512 local terms energy: -282.954050 where: bonds (distance) C4'-P energy: -86.898 bonds (distance) P-C4' energy: -75.143 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -54.020 tors. eta vs tors. theta energy: 8.187 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: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1820.866046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.866046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.866046 (E_RNA) where: Base-Base interactions energy: -1242.236 where: short stacking energy: -548.811 Base-Backbone interact. energy: -1.098 local terms energy: -577.532166 where: bonds (distance) C4'-P energy: -94.111 bonds (distance) P-C4' energy: -114.234 flat angles C4'-P-C4' energy: -123.681 flat angles P-C4'-P energy: -83.732 tors. eta vs tors. theta energy: -161.775 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: 226 Temperature: 0.950000 Total energy: -1638.472386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.472386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.472386 (E_RNA) where: Base-Base interactions energy: -1094.990 where: short stacking energy: -490.127 Base-Backbone interact. energy: -3.027 local terms energy: -540.455503 where: bonds (distance) C4'-P energy: -98.064 bonds (distance) P-C4' energy: -103.211 flat angles C4'-P-C4' energy: -124.160 flat angles P-C4'-P energy: -70.846 tors. eta vs tors. theta energy: -144.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1591.150064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.150064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.150064 (E_RNA) where: Base-Base interactions energy: -1067.743 where: short stacking energy: -443.272 Base-Backbone interact. energy: -3.769 local terms energy: -519.638378 where: bonds (distance) C4'-P energy: -93.148 bonds (distance) P-C4' energy: -113.660 flat angles C4'-P-C4' energy: -108.376 flat angles P-C4'-P energy: -81.809 tors. eta vs tors. theta energy: -122.646 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: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1469.478993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.478993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.478993 (E_RNA) where: Base-Base interactions energy: -950.049 where: short stacking energy: -449.784 Base-Backbone interact. energy: -3.210 local terms energy: -516.220229 where: bonds (distance) C4'-P energy: -105.507 bonds (distance) P-C4' energy: -109.316 flat angles C4'-P-C4' energy: -102.107 flat angles P-C4'-P energy: -75.899 tors. eta vs tors. theta energy: -123.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1352.395400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.395400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.395400 (E_RNA) where: Base-Base interactions energy: -876.838 where: short stacking energy: -399.698 Base-Backbone interact. energy: -1.020 local terms energy: -474.537947 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -94.246 flat angles C4'-P-C4' energy: -117.324 flat angles P-C4'-P energy: -70.763 tors. eta vs tors. theta energy: -98.091 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: 226 Temperature: 1.150000 Total energy: -1074.419641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.419641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.419641 (E_RNA) where: Base-Base interactions energy: -688.643 where: short stacking energy: -317.188 Base-Backbone interact. energy: 0.633 local terms energy: -386.409830 where: bonds (distance) C4'-P energy: -97.230 bonds (distance) P-C4' energy: -95.201 flat angles C4'-P-C4' energy: -89.490 flat angles P-C4'-P energy: -53.135 tors. eta vs tors. theta energy: -51.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -881.913606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.913606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.913606 (E_RNA) where: Base-Base interactions energy: -484.551 where: short stacking energy: -264.198 Base-Backbone interact. energy: -0.734 local terms energy: -396.629366 where: bonds (distance) C4'-P energy: -90.336 bonds (distance) P-C4' energy: -101.490 flat angles C4'-P-C4' energy: -109.195 flat angles P-C4'-P energy: -50.299 tors. eta vs tors. theta energy: -45.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -813.254609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.254609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.254609 (E_RNA) where: Base-Base interactions energy: -456.495 where: short stacking energy: -226.620 Base-Backbone interact. energy: 0.230 local terms energy: -356.989233 where: bonds (distance) C4'-P energy: -90.330 bonds (distance) P-C4' energy: -97.870 flat angles C4'-P-C4' energy: -97.415 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: -22.627 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: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -623.176978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.176978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.176978 (E_RNA) where: Base-Base interactions energy: -326.171 where: short stacking energy: -187.215 Base-Backbone interact. energy: 2.029 local terms energy: -299.034952 where: bonds (distance) C4'-P energy: -97.305 bonds (distance) P-C4' energy: -92.923 flat angles C4'-P-C4' energy: -64.460 flat angles P-C4'-P energy: -28.800 tors. eta vs tors. theta energy: -15.547 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: 226 Temperature: 1.350000 Total energy: -457.044394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.044394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.044394 (E_RNA) where: Base-Base interactions energy: -189.475 where: short stacking energy: -127.579 Base-Backbone interact. energy: 1.254 local terms energy: -268.823543 where: bonds (distance) C4'-P energy: -89.624 bonds (distance) P-C4' energy: -85.740 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -37.036 tors. eta vs tors. theta energy: 23.128 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: 227 Temperature: 0.900000 Total energy: -1813.784935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.784935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.784935 (E_RNA) where: Base-Base interactions energy: -1233.587 where: short stacking energy: -563.806 Base-Backbone interact. energy: -2.519 local terms energy: -577.679145 where: bonds (distance) C4'-P energy: -100.734 bonds (distance) P-C4' energy: -106.428 flat angles C4'-P-C4' energy: -119.876 flat angles P-C4'-P energy: -88.088 tors. eta vs tors. theta energy: -162.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1652.490522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.490522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.490522 (E_RNA) where: Base-Base interactions energy: -1109.471 where: short stacking energy: -531.788 Base-Backbone interact. energy: -2.913 local terms energy: -540.107002 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -109.812 flat angles C4'-P-C4' energy: -128.452 flat angles P-C4'-P energy: -73.498 tors. eta vs tors. theta energy: -134.306 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: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1550.095328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.095328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.095328 (E_RNA) where: Base-Base interactions energy: -1065.416 where: short stacking energy: -460.534 Base-Backbone interact. energy: -0.968 local terms energy: -483.710808 where: bonds (distance) C4'-P energy: -93.487 bonds (distance) P-C4' energy: -106.427 flat angles C4'-P-C4' energy: -107.600 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -113.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1456.280595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.280595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.280595 (E_RNA) where: Base-Base interactions energy: -967.905 where: short stacking energy: -438.684 Base-Backbone interact. energy: 0.401 local terms energy: -488.776643 where: bonds (distance) C4'-P energy: -101.950 bonds (distance) P-C4' energy: -90.349 flat angles C4'-P-C4' energy: -122.676 flat angles P-C4'-P energy: -68.583 tors. eta vs tors. theta energy: -105.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1302.933259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.933259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.933259 (E_RNA) where: Base-Base interactions energy: -850.579 where: short stacking energy: -405.805 Base-Backbone interact. energy: -0.248 local terms energy: -452.107006 where: bonds (distance) C4'-P energy: -98.210 bonds (distance) P-C4' energy: -90.876 flat angles C4'-P-C4' energy: -105.995 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -92.546 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: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1083.797413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.797413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.797413 (E_RNA) where: Base-Base interactions energy: -684.368 where: short stacking energy: -292.224 Base-Backbone interact. energy: -2.894 local terms energy: -396.534574 where: bonds (distance) C4'-P energy: -84.287 bonds (distance) P-C4' energy: -101.924 flat angles C4'-P-C4' energy: -105.702 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: -48.577 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: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -835.373933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.373933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.373933 (E_RNA) where: Base-Base interactions energy: -464.078 where: short stacking energy: -242.894 Base-Backbone interact. energy: -2.692 local terms energy: -368.604024 where: bonds (distance) C4'-P energy: -77.300 bonds (distance) P-C4' energy: -102.748 flat angles C4'-P-C4' energy: -102.160 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -31.777 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: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -817.163633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.163633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.163633 (E_RNA) where: Base-Base interactions energy: -441.836 where: short stacking energy: -236.195 Base-Backbone interact. energy: -1.028 local terms energy: -374.299690 where: bonds (distance) C4'-P energy: -68.575 bonds (distance) P-C4' energy: -98.439 flat angles C4'-P-C4' energy: -104.233 flat angles P-C4'-P energy: -57.623 tors. eta vs tors. theta energy: -45.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -631.145750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.145750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.145750 (E_RNA) where: Base-Base interactions energy: -306.763 where: short stacking energy: -194.506 Base-Backbone interact. energy: -1.228 local terms energy: -323.154372 where: bonds (distance) C4'-P energy: -74.907 bonds (distance) P-C4' energy: -86.023 flat angles C4'-P-C4' energy: -89.889 flat angles P-C4'-P energy: -56.323 tors. eta vs tors. theta energy: -16.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -530.455762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.455762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.455762 (E_RNA) where: Base-Base interactions energy: -252.551 where: short stacking energy: -169.159 Base-Backbone interact. energy: 3.671 local terms energy: -281.575508 where: bonds (distance) C4'-P energy: -81.838 bonds (distance) P-C4' energy: -90.464 flat angles C4'-P-C4' energy: -74.040 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: 15.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1780.436249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.436249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.436249 (E_RNA) where: Base-Base interactions energy: -1194.241 where: short stacking energy: -546.624 Base-Backbone interact. energy: -3.468 local terms energy: -582.727012 where: bonds (distance) C4'-P energy: -113.776 bonds (distance) P-C4' energy: -103.971 flat angles C4'-P-C4' energy: -133.816 flat angles P-C4'-P energy: -75.531 tors. eta vs tors. theta energy: -155.632 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: 228 Temperature: 0.950000 Total energy: -1659.288978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.288978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.288978 (E_RNA) where: Base-Base interactions energy: -1112.290 where: short stacking energy: -493.936 Base-Backbone interact. energy: -1.729 local terms energy: -545.269864 where: bonds (distance) C4'-P energy: -100.122 bonds (distance) P-C4' energy: -101.760 flat angles C4'-P-C4' energy: -121.127 flat angles P-C4'-P energy: -83.694 tors. eta vs tors. theta energy: -138.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1580.096838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.096838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.096838 (E_RNA) where: Base-Base interactions energy: -1074.574 where: short stacking energy: -475.448 Base-Backbone interact. energy: -2.386 local terms energy: -503.137274 where: bonds (distance) C4'-P energy: -97.485 bonds (distance) P-C4' energy: -101.377 flat angles C4'-P-C4' energy: -113.851 flat angles P-C4'-P energy: -73.803 tors. eta vs tors. theta energy: -116.621 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: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1482.005766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.005766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.005766 (E_RNA) where: Base-Base interactions energy: -960.317 where: short stacking energy: -452.915 Base-Backbone interact. energy: 0.262 local terms energy: -521.949993 where: bonds (distance) C4'-P energy: -100.636 bonds (distance) P-C4' energy: -122.636 flat angles C4'-P-C4' energy: -107.283 flat angles P-C4'-P energy: -66.022 tors. eta vs tors. theta energy: -125.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1326.467555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.467555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.467555 (E_RNA) where: Base-Base interactions energy: -839.834 where: short stacking energy: -392.623 Base-Backbone interact. energy: -2.232 local terms energy: -484.401160 where: bonds (distance) C4'-P energy: -82.092 bonds (distance) P-C4' energy: -96.737 flat angles C4'-P-C4' energy: -118.794 flat angles P-C4'-P energy: -82.647 tors. eta vs tors. theta energy: -104.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1078.379587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.379587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.379587 (E_RNA) where: Base-Base interactions energy: -660.644 where: short stacking energy: -311.234 Base-Backbone interact. energy: -2.331 local terms energy: -415.404362 where: bonds (distance) C4'-P energy: -104.350 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -111.900 flat angles P-C4'-P energy: -69.152 tors. eta vs tors. theta energy: -51.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -861.737472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.737472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.737472 (E_RNA) where: Base-Base interactions energy: -501.385 where: short stacking energy: -269.364 Base-Backbone interact. energy: -4.510 local terms energy: -355.842192 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -104.046 flat angles C4'-P-C4' energy: -85.013 flat angles P-C4'-P energy: -50.933 tors. eta vs tors. theta energy: -45.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -716.821491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.821491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.821491 (E_RNA) where: Base-Base interactions energy: -386.497 where: short stacking energy: -219.175 Base-Backbone interact. energy: 2.326 local terms energy: -332.650041 where: bonds (distance) C4'-P energy: -94.573 bonds (distance) P-C4' energy: -89.694 flat angles C4'-P-C4' energy: -73.818 flat angles P-C4'-P energy: -50.077 tors. eta vs tors. theta energy: -24.489 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -619.623220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.623220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.623220 (E_RNA) where: Base-Base interactions energy: -305.527 where: short stacking energy: -180.610 Base-Backbone interact. energy: -0.959 local terms energy: -313.136401 where: bonds (distance) C4'-P energy: -79.971 bonds (distance) P-C4' energy: -98.533 flat angles C4'-P-C4' energy: -75.233 flat angles P-C4'-P energy: -59.537 tors. eta vs tors. theta energy: 0.137 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: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -453.531038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.531038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.531038 (E_RNA) where: Base-Base interactions energy: -166.123 where: short stacking energy: -98.369 Base-Backbone interact. energy: -2.962 local terms energy: -284.445819 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -105.509 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -45.936 tors. eta vs tors. theta energy: 33.240 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: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1792.064049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.064049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.064049 (E_RNA) where: Base-Base interactions energy: -1221.460 where: short stacking energy: -550.555 Base-Backbone interact. energy: -1.732 local terms energy: -568.872339 where: bonds (distance) C4'-P energy: -88.475 bonds (distance) P-C4' energy: -110.697 flat angles C4'-P-C4' energy: -125.941 flat angles P-C4'-P energy: -85.713 tors. eta vs tors. theta energy: -158.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1668.311443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.311443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.311443 (E_RNA) where: Base-Base interactions energy: -1107.179 where: short stacking energy: -477.078 Base-Backbone interact. energy: -2.099 local terms energy: -559.033377 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -104.535 flat angles C4'-P-C4' energy: -113.172 flat angles P-C4'-P energy: -82.999 tors. eta vs tors. theta energy: -138.054 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1554.403499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.403499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.403499 (E_RNA) where: Base-Base interactions energy: -1039.448 where: short stacking energy: -439.504 Base-Backbone interact. energy: -6.416 local terms energy: -508.539460 where: bonds (distance) C4'-P energy: -102.584 bonds (distance) P-C4' energy: -95.698 flat angles C4'-P-C4' energy: -114.036 flat angles P-C4'-P energy: -81.565 tors. eta vs tors. theta energy: -114.656 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: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1473.284402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.284402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.284402 (E_RNA) where: Base-Base interactions energy: -963.466 where: short stacking energy: -465.243 Base-Backbone interact. energy: -5.313 local terms energy: -504.505928 where: bonds (distance) C4'-P energy: -85.901 bonds (distance) P-C4' energy: -106.308 flat angles C4'-P-C4' energy: -115.677 flat angles P-C4'-P energy: -71.924 tors. eta vs tors. theta energy: -124.696 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: 5, replica: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1340.284241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.284241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.284241 (E_RNA) where: Base-Base interactions energy: -866.997 where: short stacking energy: -400.579 Base-Backbone interact. energy: -1.587 local terms energy: -471.700169 where: bonds (distance) C4'-P energy: -91.084 bonds (distance) P-C4' energy: -106.223 flat angles C4'-P-C4' energy: -100.794 flat angles P-C4'-P energy: -69.001 tors. eta vs tors. theta energy: -104.599 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: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1052.965579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.965579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.965579 (E_RNA) where: Base-Base interactions energy: -680.471 where: short stacking energy: -316.151 Base-Backbone interact. energy: -0.098 local terms energy: -372.396718 where: bonds (distance) C4'-P energy: -88.413 bonds (distance) P-C4' energy: -91.067 flat angles C4'-P-C4' energy: -84.348 flat angles P-C4'-P energy: -57.710 tors. eta vs tors. theta energy: -50.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -841.486525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.486525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.486525 (E_RNA) where: Base-Base interactions energy: -479.291 where: short stacking energy: -240.141 Base-Backbone interact. energy: -1.216 local terms energy: -360.979361 where: bonds (distance) C4'-P energy: -108.581 bonds (distance) P-C4' energy: -90.416 flat angles C4'-P-C4' energy: -94.270 flat angles P-C4'-P energy: -46.246 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: 8, replica: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -732.414332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.414332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.414332 (E_RNA) where: Base-Base interactions energy: -392.355 where: short stacking energy: -237.619 Base-Backbone interact. energy: -1.551 local terms energy: -338.508616 where: bonds (distance) C4'-P energy: -84.834 bonds (distance) P-C4' energy: -72.903 flat angles C4'-P-C4' energy: -94.387 flat angles P-C4'-P energy: -51.780 tors. eta vs tors. theta energy: -34.605 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: 229 Temperature: 1.300000 Total energy: -613.349194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.349194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.349194 (E_RNA) where: Base-Base interactions energy: -271.285 where: short stacking energy: -182.021 Base-Backbone interact. energy: -2.877 local terms energy: -339.187069 where: bonds (distance) C4'-P energy: -77.495 bonds (distance) P-C4' energy: -98.122 flat angles C4'-P-C4' energy: -83.724 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -462.821990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.821990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.821990 (E_RNA) where: Base-Base interactions energy: -194.060 where: short stacking energy: -124.289 Base-Backbone interact. energy: -1.392 local terms energy: -267.370683 where: bonds (distance) C4'-P energy: -90.545 bonds (distance) P-C4' energy: -86.410 flat angles C4'-P-C4' energy: -56.578 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: 10.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1788.994907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.994907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.994907 (E_RNA) where: Base-Base interactions energy: -1226.117 where: short stacking energy: -547.224 Base-Backbone interact. energy: -3.861 local terms energy: -559.016902 where: bonds (distance) C4'-P energy: -98.998 bonds (distance) P-C4' energy: -110.783 flat angles C4'-P-C4' energy: -121.839 flat angles P-C4'-P energy: -70.339 tors. eta vs tors. theta energy: -157.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1673.326770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.326770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.326770 (E_RNA) where: Base-Base interactions energy: -1121.846 where: short stacking energy: -516.948 Base-Backbone interact. energy: -1.443 local terms energy: -550.037535 where: bonds (distance) C4'-P energy: -104.315 bonds (distance) P-C4' energy: -108.676 flat angles C4'-P-C4' energy: -122.436 flat angles P-C4'-P energy: -78.477 tors. eta vs tors. theta energy: -136.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1581.615181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.615181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.615181 (E_RNA) where: Base-Base interactions energy: -1044.021 where: short stacking energy: -447.491 Base-Backbone interact. energy: -6.078 local terms energy: -531.516425 where: bonds (distance) C4'-P energy: -106.566 bonds (distance) P-C4' energy: -122.805 flat angles C4'-P-C4' energy: -106.547 flat angles P-C4'-P energy: -79.898 tors. eta vs tors. theta energy: -115.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1472.882912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.882912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.882912 (E_RNA) where: Base-Base interactions energy: -951.854 where: short stacking energy: -465.657 Base-Backbone interact. energy: -1.953 local terms energy: -519.076534 where: bonds (distance) C4'-P energy: -94.179 bonds (distance) P-C4' energy: -108.743 flat angles C4'-P-C4' energy: -115.655 flat angles P-C4'-P energy: -62.520 tors. eta vs tors. theta energy: -137.980 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: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1346.952910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.952910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.952910 (E_RNA) where: Base-Base interactions energy: -871.577 where: short stacking energy: -413.649 Base-Backbone interact. energy: -2.090 local terms energy: -473.285806 where: bonds (distance) C4'-P energy: -99.766 bonds (distance) P-C4' energy: -94.651 flat angles C4'-P-C4' energy: -108.885 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: -95.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1076.672899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.672899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.672899 (E_RNA) where: Base-Base interactions energy: -677.895 where: short stacking energy: -325.508 Base-Backbone interact. energy: -3.057 local terms energy: -395.720580 where: bonds (distance) C4'-P energy: -91.777 bonds (distance) P-C4' energy: -98.254 flat angles C4'-P-C4' energy: -90.636 flat angles P-C4'-P energy: -47.830 tors. eta vs tors. theta energy: -67.225 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: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -847.501966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.501966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.501966 (E_RNA) where: Base-Base interactions energy: -468.716 where: short stacking energy: -251.271 Base-Backbone interact. energy: -0.023 local terms energy: -378.762988 where: bonds (distance) C4'-P energy: -88.533 bonds (distance) P-C4' energy: -96.455 flat angles C4'-P-C4' energy: -100.297 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: -31.576 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: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -772.227102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.227102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.227102 (E_RNA) where: Base-Base interactions energy: -422.490 where: short stacking energy: -220.428 Base-Backbone interact. energy: -2.513 local terms energy: -347.223770 where: bonds (distance) C4'-P energy: -85.702 bonds (distance) P-C4' energy: -90.973 flat angles C4'-P-C4' energy: -90.138 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -27.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -603.899157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.899157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.899157 (E_RNA) where: Base-Base interactions energy: -254.005 where: short stacking energy: -176.582 Base-Backbone interact. energy: 0.114 local terms energy: -350.007584 where: bonds (distance) C4'-P energy: -90.151 bonds (distance) P-C4' energy: -88.660 flat angles C4'-P-C4' energy: -91.853 flat angles P-C4'-P energy: -61.523 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -462.857265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.857265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.857265 (E_RNA) where: Base-Base interactions energy: -208.416 where: short stacking energy: -146.172 Base-Backbone interact. energy: -0.825 local terms energy: -253.616351 where: bonds (distance) C4'-P energy: -87.503 bonds (distance) P-C4' energy: -87.758 flat angles C4'-P-C4' energy: -75.256 flat angles P-C4'-P energy: -28.743 tors. eta vs tors. theta energy: 25.644 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: 231 Temperature: 0.900000 Total energy: -1803.825229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.825229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.825229 (E_RNA) where: Base-Base interactions energy: -1199.560 where: short stacking energy: -551.097 Base-Backbone interact. energy: -1.390 local terms energy: -602.874486 where: bonds (distance) C4'-P energy: -117.168 bonds (distance) P-C4' energy: -116.462 flat angles C4'-P-C4' energy: -121.988 flat angles P-C4'-P energy: -92.125 tors. eta vs tors. theta energy: -155.132 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: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1675.281921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.281921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.281921 (E_RNA) where: Base-Base interactions energy: -1123.406 where: short stacking energy: -511.874 Base-Backbone interact. energy: -5.180 local terms energy: -546.695892 where: bonds (distance) C4'-P energy: -102.304 bonds (distance) P-C4' energy: -112.637 flat angles C4'-P-C4' energy: -114.070 flat angles P-C4'-P energy: -75.807 tors. eta vs tors. theta energy: -141.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1554.977944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.977944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.977944 (E_RNA) where: Base-Base interactions energy: -1049.356 where: short stacking energy: -473.315 Base-Backbone interact. energy: -1.695 local terms energy: -503.927159 where: bonds (distance) C4'-P energy: -83.279 bonds (distance) P-C4' energy: -107.813 flat angles C4'-P-C4' energy: -112.663 flat angles P-C4'-P energy: -77.450 tors. eta vs tors. theta energy: -122.722 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: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1419.439364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.439364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.439364 (E_RNA) where: Base-Base interactions energy: -936.155 where: short stacking energy: -457.391 Base-Backbone interact. energy: -2.191 local terms energy: -481.093198 where: bonds (distance) C4'-P energy: -96.916 bonds (distance) P-C4' energy: -94.423 flat angles C4'-P-C4' energy: -105.648 flat angles P-C4'-P energy: -65.408 tors. eta vs tors. theta energy: -118.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1374.173235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.173235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.173235 (E_RNA) where: Base-Base interactions energy: -897.285 where: short stacking energy: -435.009 Base-Backbone interact. energy: -1.543 local terms energy: -475.345461 where: bonds (distance) C4'-P energy: -110.019 bonds (distance) P-C4' energy: -102.363 flat angles C4'-P-C4' energy: -87.112 flat angles P-C4'-P energy: -64.109 tors. eta vs tors. theta energy: -111.743 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: 5 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1127.830737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.830737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.830737 (E_RNA) where: Base-Base interactions energy: -702.231 where: short stacking energy: -346.512 Base-Backbone interact. energy: -1.177 local terms energy: -424.422874 where: bonds (distance) C4'-P energy: -93.225 bonds (distance) P-C4' energy: -104.326 flat angles C4'-P-C4' energy: -92.341 flat angles P-C4'-P energy: -62.641 tors. eta vs tors. theta energy: -71.891 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: 231 Temperature: 1.200000 Total energy: -910.985140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.985140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.985140 (E_RNA) where: Base-Base interactions energy: -544.283 where: short stacking energy: -264.873 Base-Backbone interact. energy: 3.437 local terms energy: -370.138845 where: bonds (distance) C4'-P energy: -98.319 bonds (distance) P-C4' energy: -97.781 flat angles C4'-P-C4' energy: -95.355 flat angles P-C4'-P energy: -46.109 tors. eta vs tors. theta energy: -32.574 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: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -745.301734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.301734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.301734 (E_RNA) where: Base-Base interactions energy: -399.519 where: short stacking energy: -204.114 Base-Backbone interact. energy: -1.284 local terms energy: -344.498868 where: bonds (distance) C4'-P energy: -96.687 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -88.285 flat angles P-C4'-P energy: -54.170 tors. eta vs tors. theta energy: -11.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -639.106635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.106635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.106635 (E_RNA) where: Base-Base interactions energy: -292.135 where: short stacking energy: -191.416 Base-Backbone interact. energy: 7.170 local terms energy: -354.141232 where: bonds (distance) C4'-P energy: -103.019 bonds (distance) P-C4' energy: -96.664 flat angles C4'-P-C4' energy: -87.746 flat angles P-C4'-P energy: -43.141 tors. eta vs tors. theta energy: -23.571 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: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -453.162417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.162417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.162417 (E_RNA) where: Base-Base interactions energy: -164.720 where: short stacking energy: -129.151 Base-Backbone interact. energy: 5.339 local terms energy: -293.781492 where: bonds (distance) C4'-P energy: -92.015 bonds (distance) P-C4' energy: -82.274 flat angles C4'-P-C4' energy: -85.458 flat angles P-C4'-P energy: -41.067 tors. eta vs tors. theta energy: 7.033 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: 232 Temperature: 0.900000 Total energy: -1797.495391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.495391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.495391 (E_RNA) where: Base-Base interactions energy: -1195.197 where: short stacking energy: -550.589 Base-Backbone interact. energy: -2.061 local terms energy: -600.237222 where: bonds (distance) C4'-P energy: -109.561 bonds (distance) P-C4' energy: -118.881 flat angles C4'-P-C4' energy: -108.821 flat angles P-C4'-P energy: -99.032 tors. eta vs tors. theta energy: -163.942 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: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1660.162080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.162080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.162080 (E_RNA) where: Base-Base interactions energy: -1115.820 where: short stacking energy: -493.290 Base-Backbone interact. energy: -2.885 local terms energy: -541.456882 where: bonds (distance) C4'-P energy: -97.734 bonds (distance) P-C4' energy: -115.850 flat angles C4'-P-C4' energy: -126.394 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: -142.142 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: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1550.362223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.362223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.362223 (E_RNA) where: Base-Base interactions energy: -1042.141 where: short stacking energy: -438.837 Base-Backbone interact. energy: -5.055 local terms energy: -503.166252 where: bonds (distance) C4'-P energy: -105.934 bonds (distance) P-C4' energy: -99.429 flat angles C4'-P-C4' energy: -107.405 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -115.821 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: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1401.599979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.599979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.599979 (E_RNA) where: Base-Base interactions energy: -895.763 where: short stacking energy: -431.484 Base-Backbone interact. energy: -0.608 local terms energy: -505.229167 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -100.726 flat angles C4'-P-C4' energy: -114.556 flat angles P-C4'-P energy: -75.648 tors. eta vs tors. theta energy: -123.051 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: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1332.604693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.604693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.604693 (E_RNA) where: Base-Base interactions energy: -868.383 where: short stacking energy: -393.505 Base-Backbone interact. energy: -3.172 local terms energy: -461.050424 where: bonds (distance) C4'-P energy: -86.201 bonds (distance) P-C4' energy: -90.194 flat angles C4'-P-C4' energy: -111.196 flat angles P-C4'-P energy: -71.707 tors. eta vs tors. theta energy: -101.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1128.374571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.374571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.374571 (E_RNA) where: Base-Base interactions energy: -693.862 where: short stacking energy: -331.931 Base-Backbone interact. energy: -3.169 local terms energy: -431.343039 where: bonds (distance) C4'-P energy: -89.000 bonds (distance) P-C4' energy: -100.337 flat angles C4'-P-C4' energy: -106.038 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: -74.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -934.545675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.545675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.545675 (E_RNA) where: Base-Base interactions energy: -541.080 where: short stacking energy: -260.783 Base-Backbone interact. energy: -3.667 local terms energy: -389.798751 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -103.751 flat angles C4'-P-C4' energy: -93.314 flat angles P-C4'-P energy: -52.574 tors. eta vs tors. theta energy: -40.953 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: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -738.822688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.822688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.822688 (E_RNA) where: Base-Base interactions energy: -387.971 where: short stacking energy: -221.969 Base-Backbone interact. energy: -2.377 local terms energy: -348.475192 where: bonds (distance) C4'-P energy: -88.092 bonds (distance) P-C4' energy: -90.872 flat angles C4'-P-C4' energy: -93.848 flat angles P-C4'-P energy: -58.997 tors. eta vs tors. theta energy: -16.667 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -614.079912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.079912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.079912 (E_RNA) where: Base-Base interactions energy: -306.467 where: short stacking energy: -181.739 Base-Backbone interact. energy: -2.459 local terms energy: -305.153961 where: bonds (distance) C4'-P energy: -97.443 bonds (distance) P-C4' energy: -94.342 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -25.924 tors. eta vs tors. theta energy: -14.278 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: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -427.784653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.784653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.784653 (E_RNA) where: Base-Base interactions energy: -132.097 where: short stacking energy: -95.108 Base-Backbone interact. energy: -3.706 local terms energy: -291.982078 where: bonds (distance) C4'-P energy: -99.934 bonds (distance) P-C4' energy: -97.775 flat angles C4'-P-C4' energy: -70.810 flat angles P-C4'-P energy: -37.951 tors. eta vs tors. theta energy: 14.487 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: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1794.854382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.854382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.854382 (E_RNA) where: Base-Base interactions energy: -1206.682 where: short stacking energy: -533.733 Base-Backbone interact. energy: -2.518 local terms energy: -585.653921 where: bonds (distance) C4'-P energy: -109.681 bonds (distance) P-C4' energy: -110.012 flat angles C4'-P-C4' energy: -111.675 flat angles P-C4'-P energy: -90.387 tors. eta vs tors. theta energy: -163.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1683.649333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.649333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.649333 (E_RNA) where: Base-Base interactions energy: -1103.626 where: short stacking energy: -470.847 Base-Backbone interact. energy: -1.770 local terms energy: -578.253047 where: bonds (distance) C4'-P energy: -111.050 bonds (distance) P-C4' energy: -122.541 flat angles C4'-P-C4' energy: -114.272 flat angles P-C4'-P energy: -82.895 tors. eta vs tors. theta energy: -147.494 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: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1572.539268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.539268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.539268 (E_RNA) where: Base-Base interactions energy: -1055.769 where: short stacking energy: -468.534 Base-Backbone interact. energy: -1.262 local terms energy: -515.507422 where: bonds (distance) C4'-P energy: -104.750 bonds (distance) P-C4' energy: -105.096 flat angles C4'-P-C4' energy: -110.930 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -120.241 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: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1413.662301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.662301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.662301 (E_RNA) where: Base-Base interactions energy: -893.497 where: short stacking energy: -437.707 Base-Backbone interact. energy: -3.591 local terms energy: -516.574990 where: bonds (distance) C4'-P energy: -100.176 bonds (distance) P-C4' energy: -100.039 flat angles C4'-P-C4' energy: -122.483 flat angles P-C4'-P energy: -69.042 tors. eta vs tors. theta energy: -124.836 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: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1424.968239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.968239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.968239 (E_RNA) where: Base-Base interactions energy: -937.886 where: short stacking energy: -421.302 Base-Backbone interact. energy: -0.125 local terms energy: -486.956941 where: bonds (distance) C4'-P energy: -95.269 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -107.983 flat angles P-C4'-P energy: -73.530 tors. eta vs tors. theta energy: -121.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1137.956738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.956738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.956738 (E_RNA) where: Base-Base interactions energy: -699.989 where: short stacking energy: -317.866 Base-Backbone interact. energy: -2.998 local terms energy: -434.969559 where: bonds (distance) C4'-P energy: -104.317 bonds (distance) P-C4' energy: -106.100 flat angles C4'-P-C4' energy: -97.615 flat angles P-C4'-P energy: -67.617 tors. eta vs tors. theta energy: -59.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -922.069152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.069152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.069152 (E_RNA) where: Base-Base interactions energy: -557.149 where: short stacking energy: -288.374 Base-Backbone interact. energy: -0.901 local terms energy: -364.019292 where: bonds (distance) C4'-P energy: -80.299 bonds (distance) P-C4' energy: -91.522 flat angles C4'-P-C4' energy: -86.016 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -39.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -737.657552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.657552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.657552 (E_RNA) where: Base-Base interactions energy: -405.500 where: short stacking energy: -219.546 Base-Backbone interact. energy: -2.072 local terms energy: -330.085444 where: bonds (distance) C4'-P energy: -83.240 bonds (distance) P-C4' energy: -92.397 flat angles C4'-P-C4' energy: -88.558 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -17.240 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: 233 Temperature: 1.300000 Total energy: -612.509670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.509670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.509670 (E_RNA) where: Base-Base interactions energy: -270.511 where: short stacking energy: -169.745 Base-Backbone interact. energy: -2.229 local terms energy: -339.768951 where: bonds (distance) C4'-P energy: -100.687 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -96.595 flat angles P-C4'-P energy: -48.093 tors. eta vs tors. theta energy: -4.116 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: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -421.224571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.224571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.224571 (E_RNA) where: Base-Base interactions energy: -164.061 where: short stacking energy: -125.704 Base-Backbone interact. energy: 4.004 local terms energy: -261.167745 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -85.881 flat angles C4'-P-C4' energy: -78.981 flat angles P-C4'-P energy: -38.993 tors. eta vs tors. theta energy: 29.807 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: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1850.628827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.628827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.628827 (E_RNA) where: Base-Base interactions energy: -1244.891 where: short stacking energy: -562.485 Base-Backbone interact. energy: -1.330 local terms energy: -604.407309 where: bonds (distance) C4'-P energy: -105.692 bonds (distance) P-C4' energy: -111.971 flat angles C4'-P-C4' energy: -121.843 flat angles P-C4'-P energy: -97.430 tors. eta vs tors. theta energy: -167.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1696.984347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.984347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.984347 (E_RNA) where: Base-Base interactions energy: -1135.810 where: short stacking energy: -504.671 Base-Backbone interact. energy: -0.837 local terms energy: -560.337140 where: bonds (distance) C4'-P energy: -113.043 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -117.030 flat angles P-C4'-P energy: -70.398 tors. eta vs tors. theta energy: -150.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1567.824114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.824114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.824114 (E_RNA) where: Base-Base interactions energy: -1035.336 where: short stacking energy: -465.619 Base-Backbone interact. energy: 3.234 local terms energy: -535.722594 where: bonds (distance) C4'-P energy: -114.541 bonds (distance) P-C4' energy: -100.469 flat angles C4'-P-C4' energy: -117.777 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -127.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1395.692983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.692983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.692983 (E_RNA) where: Base-Base interactions energy: -889.527 where: short stacking energy: -417.725 Base-Backbone interact. energy: -3.806 local terms energy: -502.360336 where: bonds (distance) C4'-P energy: -104.040 bonds (distance) P-C4' energy: -109.077 flat angles C4'-P-C4' energy: -99.390 flat angles P-C4'-P energy: -84.689 tors. eta vs tors. theta energy: -105.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1421.441491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.441491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.441491 (E_RNA) where: Base-Base interactions energy: -917.195 where: short stacking energy: -435.964 Base-Backbone interact. energy: 0.727 local terms energy: -504.973023 where: bonds (distance) C4'-P energy: -114.639 bonds (distance) P-C4' energy: -97.946 flat angles C4'-P-C4' energy: -116.924 flat angles P-C4'-P energy: -70.181 tors. eta vs tors. theta energy: -105.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1125.743986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.743986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.743986 (E_RNA) where: Base-Base interactions energy: -742.446 where: short stacking energy: -329.191 Base-Backbone interact. energy: 3.559 local terms energy: -386.857439 where: bonds (distance) C4'-P energy: -76.498 bonds (distance) P-C4' energy: -88.075 flat angles C4'-P-C4' energy: -88.327 flat angles P-C4'-P energy: -68.833 tors. eta vs tors. theta energy: -65.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -910.024132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.024132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.024132 (E_RNA) where: Base-Base interactions energy: -525.715 where: short stacking energy: -286.410 Base-Backbone interact. energy: -0.230 local terms energy: -384.079108 where: bonds (distance) C4'-P energy: -94.674 bonds (distance) P-C4' energy: -98.493 flat angles C4'-P-C4' energy: -80.572 flat angles P-C4'-P energy: -67.981 tors. eta vs tors. theta energy: -42.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -785.251234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.251234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.251234 (E_RNA) where: Base-Base interactions energy: -459.696 where: short stacking energy: -239.341 Base-Backbone interact. energy: 5.722 local terms energy: -331.277913 where: bonds (distance) C4'-P energy: -84.598 bonds (distance) P-C4' energy: -95.926 flat angles C4'-P-C4' energy: -84.921 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -21.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -610.837876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.837876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.837876 (E_RNA) where: Base-Base interactions energy: -305.754 where: short stacking energy: -199.230 Base-Backbone interact. energy: 9.879 local terms energy: -314.963307 where: bonds (distance) C4'-P energy: -80.757 bonds (distance) P-C4' energy: -94.151 flat angles C4'-P-C4' energy: -81.888 flat angles P-C4'-P energy: -49.957 tors. eta vs tors. theta energy: -8.211 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: 234 Temperature: 1.350000 Total energy: -426.429448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.429448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.429448 (E_RNA) where: Base-Base interactions energy: -147.971 where: short stacking energy: -104.146 Base-Backbone interact. energy: 2.350 local terms energy: -280.809009 where: bonds (distance) C4'-P energy: -97.784 bonds (distance) P-C4' energy: -86.866 flat angles C4'-P-C4' energy: -75.525 flat angles P-C4'-P energy: -36.480 tors. eta vs tors. theta energy: 15.846 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: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1821.739773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.739773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.739773 (E_RNA) where: Base-Base interactions energy: -1244.076 where: short stacking energy: -555.801 Base-Backbone interact. energy: 1.755 local terms energy: -579.418883 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -106.201 flat angles C4'-P-C4' energy: -119.898 flat angles P-C4'-P energy: -77.357 tors. eta vs tors. theta energy: -164.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1680.985775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.985775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.985775 (E_RNA) where: Base-Base interactions energy: -1120.753 where: short stacking energy: -510.925 Base-Backbone interact. energy: -4.074 local terms energy: -556.159409 where: bonds (distance) C4'-P energy: -104.016 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -121.607 flat angles P-C4'-P energy: -73.208 tors. eta vs tors. theta energy: -148.881 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: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1550.301717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.301717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.301717 (E_RNA) where: Base-Base interactions energy: -1034.989 where: short stacking energy: -452.974 Base-Backbone interact. energy: -2.262 local terms energy: -513.051154 where: bonds (distance) C4'-P energy: -101.908 bonds (distance) P-C4' energy: -101.058 flat angles C4'-P-C4' energy: -119.690 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -116.915 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: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1467.917348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.917348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.917348 (E_RNA) where: Base-Base interactions energy: -937.429 where: short stacking energy: -446.620 Base-Backbone interact. energy: -2.819 local terms energy: -527.668904 where: bonds (distance) C4'-P energy: -108.893 bonds (distance) P-C4' energy: -110.416 flat angles C4'-P-C4' energy: -115.244 flat angles P-C4'-P energy: -74.719 tors. eta vs tors. theta energy: -118.396 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: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1362.697246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.697246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.697246 (E_RNA) where: Base-Base interactions energy: -904.184 where: short stacking energy: -414.647 Base-Backbone interact. energy: -3.463 local terms energy: -455.049983 where: bonds (distance) C4'-P energy: -94.206 bonds (distance) P-C4' energy: -95.411 flat angles C4'-P-C4' energy: -105.355 flat angles P-C4'-P energy: -58.465 tors. eta vs tors. theta energy: -101.614 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: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1201.549887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.549887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.549887 (E_RNA) where: Base-Base interactions energy: -764.739 where: short stacking energy: -338.422 Base-Backbone interact. energy: 2.555 local terms energy: -439.365496 where: bonds (distance) C4'-P energy: -95.925 bonds (distance) P-C4' energy: -116.884 flat angles C4'-P-C4' energy: -81.821 flat angles P-C4'-P energy: -74.112 tors. eta vs tors. theta energy: -70.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -943.161144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.161144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.161144 (E_RNA) where: Base-Base interactions energy: -569.431 where: short stacking energy: -298.374 Base-Backbone interact. energy: -0.474 local terms energy: -373.256442 where: bonds (distance) C4'-P energy: -102.279 bonds (distance) P-C4' energy: -99.783 flat angles C4'-P-C4' energy: -87.142 flat angles P-C4'-P energy: -42.643 tors. eta vs tors. theta energy: -41.409 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: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -726.164677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.164677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.164677 (E_RNA) where: Base-Base interactions energy: -381.413 where: short stacking energy: -221.181 Base-Backbone interact. energy: 3.023 local terms energy: -347.774584 where: bonds (distance) C4'-P energy: -92.926 bonds (distance) P-C4' energy: -98.673 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: -24.698 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: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -621.746933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.746933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.746933 (E_RNA) where: Base-Base interactions energy: -284.352 where: short stacking energy: -171.129 Base-Backbone interact. energy: 1.596 local terms energy: -338.990528 where: bonds (distance) C4'-P energy: -90.587 bonds (distance) P-C4' energy: -98.279 flat angles C4'-P-C4' energy: -90.661 flat angles P-C4'-P energy: -47.270 tors. eta vs tors. theta energy: -12.193 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: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -432.208601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.208601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.208601 (E_RNA) where: Base-Base interactions energy: -158.852 where: short stacking energy: -101.902 Base-Backbone interact. energy: 3.773 local terms energy: -277.128980 where: bonds (distance) C4'-P energy: -93.749 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -79.455 flat angles P-C4'-P energy: -37.611 tors. eta vs tors. theta energy: 31.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1799.425773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.425773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.425773 (E_RNA) where: Base-Base interactions energy: -1212.244 where: short stacking energy: -548.472 Base-Backbone interact. energy: 0.834 local terms energy: -588.015897 where: bonds (distance) C4'-P energy: -117.179 bonds (distance) P-C4' energy: -110.880 flat angles C4'-P-C4' energy: -123.900 flat angles P-C4'-P energy: -76.805 tors. eta vs tors. theta energy: -159.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1691.676561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.676561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.676561 (E_RNA) where: Base-Base interactions energy: -1123.851 where: short stacking energy: -514.918 Base-Backbone interact. energy: -3.411 local terms energy: -564.414418 where: bonds (distance) C4'-P energy: -105.257 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -125.811 flat angles P-C4'-P energy: -90.367 tors. eta vs tors. theta energy: -139.161 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: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1537.146694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.146694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.146694 (E_RNA) where: Base-Base interactions energy: -1038.557 where: short stacking energy: -459.167 Base-Backbone interact. energy: 2.383 local terms energy: -500.972844 where: bonds (distance) C4'-P energy: -104.960 bonds (distance) P-C4' energy: -94.548 flat angles C4'-P-C4' energy: -114.403 flat angles P-C4'-P energy: -65.317 tors. eta vs tors. theta energy: -121.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1467.124796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.124796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.124796 (E_RNA) where: Base-Base interactions energy: -957.659 where: short stacking energy: -439.305 Base-Backbone interact. energy: -3.128 local terms energy: -506.337550 where: bonds (distance) C4'-P energy: -93.387 bonds (distance) P-C4' energy: -103.126 flat angles C4'-P-C4' energy: -122.049 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -116.778 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: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1393.406990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.406990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.406990 (E_RNA) where: Base-Base interactions energy: -917.417 where: short stacking energy: -418.903 Base-Backbone interact. energy: 0.194 local terms energy: -476.183750 where: bonds (distance) C4'-P energy: -111.507 bonds (distance) P-C4' energy: -103.019 flat angles C4'-P-C4' energy: -99.459 flat angles P-C4'-P energy: -54.509 tors. eta vs tors. theta energy: -107.690 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: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1165.515813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.515813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.515813 (E_RNA) where: Base-Base interactions energy: -746.241 where: short stacking energy: -346.265 Base-Backbone interact. energy: 0.114 local terms energy: -419.388905 where: bonds (distance) C4'-P energy: -87.290 bonds (distance) P-C4' energy: -108.072 flat angles C4'-P-C4' energy: -89.228 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -78.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -899.216178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.216178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.216178 (E_RNA) where: Base-Base interactions energy: -543.547 where: short stacking energy: -270.329 Base-Backbone interact. energy: 3.338 local terms energy: -359.006876 where: bonds (distance) C4'-P energy: -84.887 bonds (distance) P-C4' energy: -84.277 flat angles C4'-P-C4' energy: -93.245 flat angles P-C4'-P energy: -48.950 tors. eta vs tors. theta energy: -47.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -736.662038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.662038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.662038 (E_RNA) where: Base-Base interactions energy: -379.155 where: short stacking energy: -206.570 Base-Backbone interact. energy: -0.131 local terms energy: -357.375943 where: bonds (distance) C4'-P energy: -92.616 bonds (distance) P-C4' energy: -110.829 flat angles C4'-P-C4' energy: -92.584 flat angles P-C4'-P energy: -53.666 tors. eta vs tors. theta energy: -7.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -603.144031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.144031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.144031 (E_RNA) where: Base-Base interactions energy: -296.739 where: short stacking energy: -197.288 Base-Backbone interact. energy: -0.811 local terms energy: -305.594332 where: bonds (distance) C4'-P energy: -71.795 bonds (distance) P-C4' energy: -100.384 flat angles C4'-P-C4' energy: -92.293 flat angles P-C4'-P energy: -41.159 tors. eta vs tors. theta energy: 0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -465.737344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.737344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.737344 (E_RNA) where: Base-Base interactions energy: -195.943 where: short stacking energy: -124.799 Base-Backbone interact. energy: 0.515 local terms energy: -270.309685 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -89.021 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -37.475 tors. eta vs tors. theta energy: 6.108 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: 237 Temperature: 0.900000 Total energy: -1791.959963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.959963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.959963 (E_RNA) where: Base-Base interactions energy: -1217.612 where: short stacking energy: -560.722 Base-Backbone interact. energy: -3.109 local terms energy: -571.239605 where: bonds (distance) C4'-P energy: -107.096 bonds (distance) P-C4' energy: -109.483 flat angles C4'-P-C4' energy: -113.647 flat angles P-C4'-P energy: -85.162 tors. eta vs tors. theta energy: -155.852 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: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1718.865399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.865399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.865399 (E_RNA) where: Base-Base interactions energy: -1178.529 where: short stacking energy: -526.142 Base-Backbone interact. energy: -1.598 local terms energy: -538.739016 where: bonds (distance) C4'-P energy: -110.059 bonds (distance) P-C4' energy: -94.102 flat angles C4'-P-C4' energy: -121.951 flat angles P-C4'-P energy: -71.277 tors. eta vs tors. theta energy: -141.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1551.588191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.588191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.588191 (E_RNA) where: Base-Base interactions energy: -1032.566 where: short stacking energy: -443.010 Base-Backbone interact. energy: -1.261 local terms energy: -517.760533 where: bonds (distance) C4'-P energy: -100.693 bonds (distance) P-C4' energy: -99.495 flat angles C4'-P-C4' energy: -122.650 flat angles P-C4'-P energy: -75.342 tors. eta vs tors. theta energy: -119.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1473.126718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.126718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.126718 (E_RNA) where: Base-Base interactions energy: -954.473 where: short stacking energy: -455.657 Base-Backbone interact. energy: -1.353 local terms energy: -517.301422 where: bonds (distance) C4'-P energy: -90.665 bonds (distance) P-C4' energy: -103.468 flat angles C4'-P-C4' energy: -116.433 flat angles P-C4'-P energy: -72.003 tors. eta vs tors. theta energy: -134.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1350.042672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.042672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.042672 (E_RNA) where: Base-Base interactions energy: -883.335 where: short stacking energy: -407.829 Base-Backbone interact. energy: -2.860 local terms energy: -463.847343 where: bonds (distance) C4'-P energy: -93.627 bonds (distance) P-C4' energy: -93.104 flat angles C4'-P-C4' energy: -104.293 flat angles P-C4'-P energy: -73.037 tors. eta vs tors. theta energy: -99.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1180.384036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.384036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.384036 (E_RNA) where: Base-Base interactions energy: -732.589 where: short stacking energy: -348.870 Base-Backbone interact. energy: -1.267 local terms energy: -446.528733 where: bonds (distance) C4'-P energy: -98.270 bonds (distance) P-C4' energy: -101.641 flat angles C4'-P-C4' energy: -97.084 flat angles P-C4'-P energy: -60.839 tors. eta vs tors. theta energy: -88.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -925.713530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.713530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.713530 (E_RNA) where: Base-Base interactions energy: -539.974 where: short stacking energy: -259.318 Base-Backbone interact. energy: 4.311 local terms energy: -390.049961 where: bonds (distance) C4'-P energy: -98.726 bonds (distance) P-C4' energy: -103.653 flat angles C4'-P-C4' energy: -97.384 flat angles P-C4'-P energy: -56.600 tors. eta vs tors. theta energy: -33.686 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: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -735.665522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.665522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.665522 (E_RNA) where: Base-Base interactions energy: -389.719 where: short stacking energy: -232.051 Base-Backbone interact. energy: -0.653 local terms energy: -345.294159 where: bonds (distance) C4'-P energy: -85.466 bonds (distance) P-C4' energy: -81.727 flat angles C4'-P-C4' energy: -95.307 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -33.192 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: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -634.418744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.418744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.418744 (E_RNA) where: Base-Base interactions energy: -319.166 where: short stacking energy: -175.860 Base-Backbone interact. energy: -2.603 local terms energy: -312.649597 where: bonds (distance) C4'-P energy: -88.526 bonds (distance) P-C4' energy: -91.062 flat angles C4'-P-C4' energy: -91.207 flat angles P-C4'-P energy: -36.038 tors. eta vs tors. theta energy: -5.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -485.568713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.568713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.568713 (E_RNA) where: Base-Base interactions energy: -175.449 where: short stacking energy: -109.417 Base-Backbone interact. energy: -1.641 local terms energy: -308.478457 where: bonds (distance) C4'-P energy: -96.595 bonds (distance) P-C4' energy: -100.733 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: 23.864 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: 238 Temperature: 0.900000 Total energy: -1785.775354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.775354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.775354 (E_RNA) where: Base-Base interactions energy: -1205.767 where: short stacking energy: -526.909 Base-Backbone interact. energy: -1.812 local terms energy: -578.195856 where: bonds (distance) C4'-P energy: -102.561 bonds (distance) P-C4' energy: -123.973 flat angles C4'-P-C4' energy: -129.137 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -146.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1695.837021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.837021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.837021 (E_RNA) where: Base-Base interactions energy: -1150.387 where: short stacking energy: -514.855 Base-Backbone interact. energy: -2.392 local terms energy: -543.057227 where: bonds (distance) C4'-P energy: -98.241 bonds (distance) P-C4' energy: -106.923 flat angles C4'-P-C4' energy: -126.878 flat angles P-C4'-P energy: -72.357 tors. eta vs tors. theta energy: -138.659 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: 4 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1507.406617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.406617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.406617 (E_RNA) where: Base-Base interactions energy: -998.800 where: short stacking energy: -442.934 Base-Backbone interact. energy: -1.670 local terms energy: -506.936768 where: bonds (distance) C4'-P energy: -106.625 bonds (distance) P-C4' energy: -102.440 flat angles C4'-P-C4' energy: -108.048 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -119.508 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: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1499.720048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.720048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.720048 (E_RNA) where: Base-Base interactions energy: -960.278 where: short stacking energy: -465.848 Base-Backbone interact. energy: -0.020 local terms energy: -539.421336 where: bonds (distance) C4'-P energy: -98.866 bonds (distance) P-C4' energy: -104.908 flat angles C4'-P-C4' energy: -119.280 flat angles P-C4'-P energy: -75.629 tors. eta vs tors. theta energy: -140.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1369.684424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.684424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.684424 (E_RNA) where: Base-Base interactions energy: -877.051 where: short stacking energy: -412.172 Base-Backbone interact. energy: -1.014 local terms energy: -491.618753 where: bonds (distance) C4'-P energy: -90.334 bonds (distance) P-C4' energy: -111.424 flat angles C4'-P-C4' energy: -114.878 flat angles P-C4'-P energy: -63.968 tors. eta vs tors. theta energy: -111.014 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: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1191.844323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.844323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.844323 (E_RNA) where: Base-Base interactions energy: -755.356 where: short stacking energy: -361.178 Base-Backbone interact. energy: -2.047 local terms energy: -434.441570 where: bonds (distance) C4'-P energy: -84.740 bonds (distance) P-C4' energy: -109.324 flat angles C4'-P-C4' energy: -101.497 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -80.883 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: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -898.729035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.729035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.729035 (E_RNA) where: Base-Base interactions energy: -514.518 where: short stacking energy: -257.089 Base-Backbone interact. energy: -0.888 local terms energy: -383.323685 where: bonds (distance) C4'-P energy: -81.530 bonds (distance) P-C4' energy: -105.628 flat angles C4'-P-C4' energy: -105.514 flat angles P-C4'-P energy: -62.664 tors. eta vs tors. theta energy: -27.987 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: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -749.257710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.257710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.257710 (E_RNA) where: Base-Base interactions energy: -429.015 where: short stacking energy: -237.884 Base-Backbone interact. energy: -0.440 local terms energy: -319.802722 where: bonds (distance) C4'-P energy: -75.844 bonds (distance) P-C4' energy: -89.488 flat angles C4'-P-C4' energy: -83.807 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: -31.785 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: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -602.121766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.121766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.121766 (E_RNA) where: Base-Base interactions energy: -274.473 where: short stacking energy: -174.905 Base-Backbone interact. energy: 2.191 local terms energy: -329.839799 where: bonds (distance) C4'-P energy: -86.585 bonds (distance) P-C4' energy: -87.722 flat angles C4'-P-C4' energy: -90.647 flat angles P-C4'-P energy: -61.122 tors. eta vs tors. theta energy: -3.764 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: 238 Temperature: 1.350000 Total energy: -410.988842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.988842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.988842 (E_RNA) where: Base-Base interactions energy: -131.357 where: short stacking energy: -121.642 Base-Backbone interact. energy: -0.040 local terms energy: -279.591742 where: bonds (distance) C4'-P energy: -99.669 bonds (distance) P-C4' energy: -74.739 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -50.157 tors. eta vs tors. theta energy: 24.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1798.634655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.634655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.634655 (E_RNA) where: Base-Base interactions energy: -1202.844 where: short stacking energy: -523.401 Base-Backbone interact. energy: 2.174 local terms energy: -597.964351 where: bonds (distance) C4'-P energy: -113.175 bonds (distance) P-C4' energy: -121.906 flat angles C4'-P-C4' energy: -128.785 flat angles P-C4'-P energy: -80.917 tors. eta vs tors. theta energy: -153.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1721.431055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.431055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.431055 (E_RNA) where: Base-Base interactions energy: -1163.937 where: short stacking energy: -537.958 Base-Backbone interact. energy: -3.156 local terms energy: -554.338367 where: bonds (distance) C4'-P energy: -96.792 bonds (distance) P-C4' energy: -109.670 flat angles C4'-P-C4' energy: -128.152 flat angles P-C4'-P energy: -77.740 tors. eta vs tors. theta energy: -141.983 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: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1534.200213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.200213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.200213 (E_RNA) where: Base-Base interactions energy: -1017.010 where: short stacking energy: -448.022 Base-Backbone interact. energy: -2.164 local terms energy: -515.026323 where: bonds (distance) C4'-P energy: -110.021 bonds (distance) P-C4' energy: -104.034 flat angles C4'-P-C4' energy: -117.782 flat angles P-C4'-P energy: -72.992 tors. eta vs tors. theta energy: -110.197 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: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1471.566559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.566559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.566559 (E_RNA) where: Base-Base interactions energy: -953.928 where: short stacking energy: -432.708 Base-Backbone interact. energy: -0.721 local terms energy: -516.917339 where: bonds (distance) C4'-P energy: -84.826 bonds (distance) P-C4' energy: -100.877 flat angles C4'-P-C4' energy: -130.900 flat angles P-C4'-P energy: -83.191 tors. eta vs tors. theta energy: -117.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1348.700457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.700457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.700457 (E_RNA) where: Base-Base interactions energy: -884.663 where: short stacking energy: -381.722 Base-Backbone interact. energy: -3.293 local terms energy: -460.744030 where: bonds (distance) C4'-P energy: -83.759 bonds (distance) P-C4' energy: -95.001 flat angles C4'-P-C4' energy: -102.471 flat angles P-C4'-P energy: -74.671 tors. eta vs tors. theta energy: -104.842 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: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1223.014808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.014808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.014808 (E_RNA) where: Base-Base interactions energy: -806.368 where: short stacking energy: -363.414 Base-Backbone interact. energy: -1.734 local terms energy: -414.913279 where: bonds (distance) C4'-P energy: -83.245 bonds (distance) P-C4' energy: -101.120 flat angles C4'-P-C4' energy: -89.919 flat angles P-C4'-P energy: -62.101 tors. eta vs tors. theta energy: -78.528 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: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -954.599646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.599646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.599646 (E_RNA) where: Base-Base interactions energy: -590.434 where: short stacking energy: -295.013 Base-Backbone interact. energy: -0.372 local terms energy: -363.794092 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -83.738 flat angles C4'-P-C4' energy: -87.181 flat angles P-C4'-P energy: -59.117 tors. eta vs tors. theta energy: -34.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -813.177315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.177315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.177315 (E_RNA) where: Base-Base interactions energy: -448.227 where: short stacking energy: -214.996 Base-Backbone interact. energy: 1.981 local terms energy: -366.931211 where: bonds (distance) C4'-P energy: -93.983 bonds (distance) P-C4' energy: -103.084 flat angles C4'-P-C4' energy: -85.472 flat angles P-C4'-P energy: -60.564 tors. eta vs tors. theta energy: -23.828 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: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -597.582605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.582605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.582605 (E_RNA) where: Base-Base interactions energy: -266.251 where: short stacking energy: -170.262 Base-Backbone interact. energy: -1.006 local terms energy: -330.325266 where: bonds (distance) C4'-P energy: -97.630 bonds (distance) P-C4' energy: -87.622 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -2.635 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: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -448.543850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.543850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.543850 (E_RNA) where: Base-Base interactions energy: -150.312 where: short stacking energy: -120.708 Base-Backbone interact. energy: -0.290 local terms energy: -297.942096 where: bonds (distance) C4'-P energy: -104.289 bonds (distance) P-C4' energy: -94.163 flat angles C4'-P-C4' energy: -65.845 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: 10.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1814.438752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.438752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.438752 (E_RNA) where: Base-Base interactions energy: -1222.250 where: short stacking energy: -549.756 Base-Backbone interact. energy: -3.144 local terms energy: -589.044540 where: bonds (distance) C4'-P energy: -115.422 bonds (distance) P-C4' energy: -113.800 flat angles C4'-P-C4' energy: -122.503 flat angles P-C4'-P energy: -77.143 tors. eta vs tors. theta energy: -160.177 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: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1719.785428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.785428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.785428 (E_RNA) where: Base-Base interactions energy: -1161.592 where: short stacking energy: -525.283 Base-Backbone interact. energy: -1.835 local terms energy: -556.358095 where: bonds (distance) C4'-P energy: -99.204 bonds (distance) P-C4' energy: -108.900 flat angles C4'-P-C4' energy: -122.418 flat angles P-C4'-P energy: -77.460 tors. eta vs tors. theta energy: -148.377 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: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1543.925979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.925979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.925979 (E_RNA) where: Base-Base interactions energy: -999.447 where: short stacking energy: -466.128 Base-Backbone interact. energy: 1.638 local terms energy: -546.116771 where: bonds (distance) C4'-P energy: -113.290 bonds (distance) P-C4' energy: -114.917 flat angles C4'-P-C4' energy: -109.491 flat angles P-C4'-P energy: -75.295 tors. eta vs tors. theta energy: -133.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1475.359953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.359953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.359953 (E_RNA) where: Base-Base interactions energy: -985.081 where: short stacking energy: -433.212 Base-Backbone interact. energy: -1.555 local terms energy: -488.723637 where: bonds (distance) C4'-P energy: -103.011 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -110.754 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -108.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1381.238730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.238730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.238730 (E_RNA) where: Base-Base interactions energy: -908.608 where: short stacking energy: -406.328 Base-Backbone interact. energy: 0.074 local terms energy: -472.705143 where: bonds (distance) C4'-P energy: -86.178 bonds (distance) P-C4' energy: -99.113 flat angles C4'-P-C4' energy: -109.794 flat angles P-C4'-P energy: -65.325 tors. eta vs tors. theta energy: -112.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1197.334906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.334906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.334906 (E_RNA) where: Base-Base interactions energy: -781.195 where: short stacking energy: -328.803 Base-Backbone interact. energy: -1.741 local terms energy: -414.399239 where: bonds (distance) C4'-P energy: -81.335 bonds (distance) P-C4' energy: -94.800 flat angles C4'-P-C4' energy: -102.420 flat angles P-C4'-P energy: -64.555 tors. eta vs tors. theta energy: -71.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -980.963618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.963618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.963618 (E_RNA) where: Base-Base interactions energy: -585.730 where: short stacking energy: -291.588 Base-Backbone interact. energy: -0.952 local terms energy: -394.281350 where: bonds (distance) C4'-P energy: -92.214 bonds (distance) P-C4' energy: -101.058 flat angles C4'-P-C4' energy: -94.769 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -54.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -768.140429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.140429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.140429 (E_RNA) where: Base-Base interactions energy: -391.204 where: short stacking energy: -221.213 Base-Backbone interact. energy: -4.119 local terms energy: -372.817566 where: bonds (distance) C4'-P energy: -80.900 bonds (distance) P-C4' energy: -109.001 flat angles C4'-P-C4' energy: -87.193 flat angles P-C4'-P energy: -65.559 tors. eta vs tors. theta energy: -30.165 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: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -612.281772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.281772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.281772 (E_RNA) where: Base-Base interactions energy: -287.866 where: short stacking energy: -181.438 Base-Backbone interact. energy: -3.325 local terms energy: -321.090095 where: bonds (distance) C4'-P energy: -93.024 bonds (distance) P-C4' energy: -88.275 flat angles C4'-P-C4' energy: -104.666 flat angles P-C4'-P energy: -47.338 tors. eta vs tors. theta energy: 12.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -463.496387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.496387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.496387 (E_RNA) where: Base-Base interactions energy: -162.158 where: short stacking energy: -141.342 Base-Backbone interact. energy: 5.856 local terms energy: -307.193944 where: bonds (distance) C4'-P energy: -91.997 bonds (distance) P-C4' energy: -92.806 flat angles C4'-P-C4' energy: -85.350 flat angles P-C4'-P energy: -59.742 tors. eta vs tors. theta energy: 22.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1822.873893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.873893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.873893 (E_RNA) where: Base-Base interactions energy: -1240.778 where: short stacking energy: -535.384 Base-Backbone interact. energy: -3.009 local terms energy: -579.086731 where: bonds (distance) C4'-P energy: -113.269 bonds (distance) P-C4' energy: -112.980 flat angles C4'-P-C4' energy: -116.705 flat angles P-C4'-P energy: -81.627 tors. eta vs tors. theta energy: -154.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1737.136281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.136281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.136281 (E_RNA) where: Base-Base interactions energy: -1180.462 where: short stacking energy: -513.373 Base-Backbone interact. energy: -3.641 local terms energy: -553.033357 where: bonds (distance) C4'-P energy: -105.827 bonds (distance) P-C4' energy: -107.864 flat angles C4'-P-C4' energy: -117.889 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -144.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1534.227410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.227410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.227410 (E_RNA) where: Base-Base interactions energy: -1026.450 where: short stacking energy: -478.189 Base-Backbone interact. energy: -1.195 local terms energy: -506.582165 where: bonds (distance) C4'-P energy: -87.270 bonds (distance) P-C4' energy: -101.044 flat angles C4'-P-C4' energy: -118.922 flat angles P-C4'-P energy: -76.606 tors. eta vs tors. theta energy: -122.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1505.320281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.320281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.320281 (E_RNA) where: Base-Base interactions energy: -1004.199 where: short stacking energy: -434.815 Base-Backbone interact. energy: -5.340 local terms energy: -495.780765 where: bonds (distance) C4'-P energy: -99.708 bonds (distance) P-C4' energy: -103.970 flat angles C4'-P-C4' energy: -107.883 flat angles P-C4'-P energy: -70.634 tors. eta vs tors. theta energy: -113.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1366.356541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.356541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.356541 (E_RNA) where: Base-Base interactions energy: -893.380 where: short stacking energy: -413.724 Base-Backbone interact. energy: 0.848 local terms energy: -473.824811 where: bonds (distance) C4'-P energy: -100.821 bonds (distance) P-C4' energy: -100.292 flat angles C4'-P-C4' energy: -112.121 flat angles P-C4'-P energy: -58.313 tors. eta vs tors. theta energy: -102.277 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: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1208.134740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.134740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.134740 (E_RNA) where: Base-Base interactions energy: -764.482 where: short stacking energy: -348.749 Base-Backbone interact. energy: -3.348 local terms energy: -440.305349 where: bonds (distance) C4'-P energy: -106.623 bonds (distance) P-C4' energy: -90.797 flat angles C4'-P-C4' energy: -107.180 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -85.784 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: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -955.583107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.583107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.583107 (E_RNA) where: Base-Base interactions energy: -546.878 where: short stacking energy: -282.190 Base-Backbone interact. energy: -1.828 local terms energy: -406.877258 where: bonds (distance) C4'-P energy: -96.169 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -87.187 flat angles P-C4'-P energy: -60.902 tors. eta vs tors. theta energy: -58.832 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: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -806.034091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.034091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.034091 (E_RNA) where: Base-Base interactions energy: -443.518 where: short stacking energy: -233.576 Base-Backbone interact. energy: -4.498 local terms energy: -358.017881 where: bonds (distance) C4'-P energy: -91.007 bonds (distance) P-C4' energy: -91.158 flat angles C4'-P-C4' energy: -94.840 flat angles P-C4'-P energy: -60.748 tors. eta vs tors. theta energy: -20.265 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: 241 Temperature: 1.300000 Total energy: -588.974908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.974908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.974908 (E_RNA) where: Base-Base interactions energy: -284.730 where: short stacking energy: -165.276 Base-Backbone interact. energy: -2.129 local terms energy: -302.115742 where: bonds (distance) C4'-P energy: -92.292 bonds (distance) P-C4' energy: -64.827 flat angles C4'-P-C4' energy: -88.593 flat angles P-C4'-P energy: -55.935 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -436.913224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.913224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.913224 (E_RNA) where: Base-Base interactions energy: -149.021 where: short stacking energy: -110.024 Base-Backbone interact. energy: 2.776 local terms energy: -290.668005 where: bonds (distance) C4'-P energy: -80.768 bonds (distance) P-C4' energy: -100.420 flat angles C4'-P-C4' energy: -78.878 flat angles P-C4'-P energy: -49.154 tors. eta vs tors. theta energy: 18.552 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: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1821.342830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.342830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.342830 (E_RNA) where: Base-Base interactions energy: -1223.907 where: short stacking energy: -542.571 Base-Backbone interact. energy: -2.396 local terms energy: -595.039734 where: bonds (distance) C4'-P energy: -113.262 bonds (distance) P-C4' energy: -113.630 flat angles C4'-P-C4' energy: -128.796 flat angles P-C4'-P energy: -79.538 tors. eta vs tors. theta energy: -159.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1712.430427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.430427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.430427 (E_RNA) where: Base-Base interactions energy: -1157.104 where: short stacking energy: -495.771 Base-Backbone interact. energy: -3.718 local terms energy: -551.607616 where: bonds (distance) C4'-P energy: -106.317 bonds (distance) P-C4' energy: -106.558 flat angles C4'-P-C4' energy: -117.835 flat angles P-C4'-P energy: -81.414 tors. eta vs tors. theta energy: -139.484 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: 3, replica: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1555.346689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.346689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.346689 (E_RNA) where: Base-Base interactions energy: -998.341 where: short stacking energy: -473.261 Base-Backbone interact. energy: 1.022 local terms energy: -558.028033 where: bonds (distance) C4'-P energy: -99.871 bonds (distance) P-C4' energy: -107.793 flat angles C4'-P-C4' energy: -127.327 flat angles P-C4'-P energy: -76.313 tors. eta vs tors. theta energy: -146.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1477.779865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.779865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.779865 (E_RNA) where: Base-Base interactions energy: -984.557 where: short stacking energy: -441.305 Base-Backbone interact. energy: -2.410 local terms energy: -490.812421 where: bonds (distance) C4'-P energy: -102.789 bonds (distance) P-C4' energy: -106.104 flat angles C4'-P-C4' energy: -109.974 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -110.108 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: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1310.702017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.702017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.702017 (E_RNA) where: Base-Base interactions energy: -846.380 where: short stacking energy: -369.245 Base-Backbone interact. energy: -1.871 local terms energy: -462.450387 where: bonds (distance) C4'-P energy: -102.539 bonds (distance) P-C4' energy: -109.217 flat angles C4'-P-C4' energy: -93.170 flat angles P-C4'-P energy: -66.432 tors. eta vs tors. theta energy: -91.091 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: 242 Temperature: 1.150000 Total energy: -1233.324121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.324121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.324121 (E_RNA) where: Base-Base interactions energy: -813.957 where: short stacking energy: -351.121 Base-Backbone interact. energy: -2.834 local terms energy: -416.533057 where: bonds (distance) C4'-P energy: -100.880 bonds (distance) P-C4' energy: -93.670 flat angles C4'-P-C4' energy: -100.883 flat angles P-C4'-P energy: -50.137 tors. eta vs tors. theta energy: -70.964 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: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -937.984423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.984423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.984423 (E_RNA) where: Base-Base interactions energy: -550.440 where: short stacking energy: -268.797 Base-Backbone interact. energy: 2.971 local terms energy: -390.515545 where: bonds (distance) C4'-P energy: -94.583 bonds (distance) P-C4' energy: -94.742 flat angles C4'-P-C4' energy: -91.466 flat angles P-C4'-P energy: -65.705 tors. eta vs tors. theta energy: -44.020 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: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -759.616993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.616993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.616993 (E_RNA) where: Base-Base interactions energy: -415.637 where: short stacking energy: -214.678 Base-Backbone interact. energy: -1.697 local terms energy: -342.283390 where: bonds (distance) C4'-P energy: -99.091 bonds (distance) P-C4' energy: -87.420 flat angles C4'-P-C4' energy: -77.908 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -23.031 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: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -640.989773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.989773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.989773 (E_RNA) where: Base-Base interactions energy: -327.738 where: short stacking energy: -209.482 Base-Backbone interact. energy: 1.927 local terms energy: -315.178528 where: bonds (distance) C4'-P energy: -77.496 bonds (distance) P-C4' energy: -88.220 flat angles C4'-P-C4' energy: -91.862 flat angles P-C4'-P energy: -49.057 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -444.411529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.411529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.411529 (E_RNA) where: Base-Base interactions energy: -159.272 where: short stacking energy: -143.912 Base-Backbone interact. energy: -0.009 local terms energy: -285.130325 where: bonds (distance) C4'-P energy: -77.241 bonds (distance) P-C4' energy: -80.517 flat angles C4'-P-C4' energy: -72.504 flat angles P-C4'-P energy: -42.427 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1807.434763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.434763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.434763 (E_RNA) where: Base-Base interactions energy: -1207.680 where: short stacking energy: -562.496 Base-Backbone interact. energy: -1.934 local terms energy: -597.820273 where: bonds (distance) C4'-P energy: -108.722 bonds (distance) P-C4' energy: -114.449 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -89.493 tors. eta vs tors. theta energy: -161.678 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: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1715.377693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.377693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.377693 (E_RNA) where: Base-Base interactions energy: -1172.045 where: short stacking energy: -526.908 Base-Backbone interact. energy: -4.980 local terms energy: -538.353002 where: bonds (distance) C4'-P energy: -98.420 bonds (distance) P-C4' energy: -91.389 flat angles C4'-P-C4' energy: -122.680 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -148.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1585.981439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.981439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.981439 (E_RNA) where: Base-Base interactions energy: -1033.683 where: short stacking energy: -491.881 Base-Backbone interact. energy: -2.941 local terms energy: -549.357351 where: bonds (distance) C4'-P energy: -105.491 bonds (distance) P-C4' energy: -107.181 flat angles C4'-P-C4' energy: -117.518 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -145.893 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: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1444.760091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.760091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.760091 (E_RNA) where: Base-Base interactions energy: -966.492 where: short stacking energy: -405.705 Base-Backbone interact. energy: -0.934 local terms energy: -477.333481 where: bonds (distance) C4'-P energy: -103.101 bonds (distance) P-C4' energy: -96.308 flat angles C4'-P-C4' energy: -110.026 flat angles P-C4'-P energy: -67.620 tors. eta vs tors. theta energy: -100.279 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: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1325.906504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.906504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.906504 (E_RNA) where: Base-Base interactions energy: -867.858 where: short stacking energy: -404.095 Base-Backbone interact. energy: -1.707 local terms energy: -456.341683 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -96.106 flat angles C4'-P-C4' energy: -115.821 flat angles P-C4'-P energy: -59.472 tors. eta vs tors. theta energy: -111.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1258.349354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.349354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.349354 (E_RNA) where: Base-Base interactions energy: -809.889 where: short stacking energy: -366.874 Base-Backbone interact. energy: -0.729 local terms energy: -447.731031 where: bonds (distance) C4'-P energy: -94.335 bonds (distance) P-C4' energy: -101.077 flat angles C4'-P-C4' energy: -100.331 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -87.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -884.197458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.197458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.197458 (E_RNA) where: Base-Base interactions energy: -508.547 where: short stacking energy: -262.816 Base-Backbone interact. energy: -0.175 local terms energy: -375.474850 where: bonds (distance) C4'-P energy: -91.044 bonds (distance) P-C4' energy: -89.678 flat angles C4'-P-C4' energy: -89.727 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -46.059 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: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -750.692729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.692729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.692729 (E_RNA) where: Base-Base interactions energy: -425.258 where: short stacking energy: -224.554 Base-Backbone interact. energy: 0.502 local terms energy: -325.937296 where: bonds (distance) C4'-P energy: -81.933 bonds (distance) P-C4' energy: -97.527 flat angles C4'-P-C4' energy: -85.257 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -18.828 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: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -656.305407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.305407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.305407 (E_RNA) where: Base-Base interactions energy: -329.399 where: short stacking energy: -192.990 Base-Backbone interact. energy: 0.365 local terms energy: -327.271362 where: bonds (distance) C4'-P energy: -100.136 bonds (distance) P-C4' energy: -86.893 flat angles C4'-P-C4' energy: -72.858 flat angles P-C4'-P energy: -52.673 tors. eta vs tors. theta energy: -14.712 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: 243 Temperature: 1.350000 Total energy: -430.163135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.163135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.163135 (E_RNA) where: Base-Base interactions energy: -139.941 where: short stacking energy: -105.360 Base-Backbone interact. energy: -1.144 local terms energy: -289.078092 where: bonds (distance) C4'-P energy: -103.271 bonds (distance) P-C4' energy: -91.362 flat angles C4'-P-C4' energy: -78.113 flat angles P-C4'-P energy: -31.395 tors. eta vs tors. theta energy: 15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1726.700323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.700323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.700323 (E_RNA) where: Base-Base interactions energy: -1176.219 where: short stacking energy: -502.893 Base-Backbone interact. energy: -5.090 local terms energy: -545.390852 where: bonds (distance) C4'-P energy: -112.065 bonds (distance) P-C4' energy: -99.404 flat angles C4'-P-C4' energy: -113.482 flat angles P-C4'-P energy: -80.298 tors. eta vs tors. theta energy: -140.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1759.142657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.142657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.142657 (E_RNA) where: Base-Base interactions energy: -1207.752 where: short stacking energy: -536.945 Base-Backbone interact. energy: -1.818 local terms energy: -549.573186 where: bonds (distance) C4'-P energy: -98.818 bonds (distance) P-C4' energy: -107.590 flat angles C4'-P-C4' energy: -119.037 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: -152.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1551.520880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.520880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.520880 (E_RNA) where: Base-Base interactions energy: -1026.562 where: short stacking energy: -491.681 Base-Backbone interact. energy: -1.678 local terms energy: -523.281065 where: bonds (distance) C4'-P energy: -109.414 bonds (distance) P-C4' energy: -105.741 flat angles C4'-P-C4' energy: -104.256 flat angles P-C4'-P energy: -66.074 tors. eta vs tors. theta energy: -137.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1470.809638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.809638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.809638 (E_RNA) where: Base-Base interactions energy: -987.772 where: short stacking energy: -440.321 Base-Backbone interact. energy: -1.707 local terms energy: -481.331342 where: bonds (distance) C4'-P energy: -94.314 bonds (distance) P-C4' energy: -81.854 flat angles C4'-P-C4' energy: -108.768 flat angles P-C4'-P energy: -76.067 tors. eta vs tors. theta energy: -120.329 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: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1385.533263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.533263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.533263 (E_RNA) where: Base-Base interactions energy: -897.125 where: short stacking energy: -416.000 Base-Backbone interact. energy: -0.213 local terms energy: -488.195291 where: bonds (distance) C4'-P energy: -90.203 bonds (distance) P-C4' energy: -98.312 flat angles C4'-P-C4' energy: -115.558 flat angles P-C4'-P energy: -70.553 tors. eta vs tors. theta energy: -113.570 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: 244 Temperature: 1.150000 Total energy: -1200.113173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.113173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.113173 (E_RNA) where: Base-Base interactions energy: -767.647 where: short stacking energy: -352.034 Base-Backbone interact. energy: -2.388 local terms energy: -430.078689 where: bonds (distance) C4'-P energy: -95.808 bonds (distance) P-C4' energy: -87.436 flat angles C4'-P-C4' energy: -85.692 flat angles P-C4'-P energy: -86.670 tors. eta vs tors. theta energy: -74.473 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: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -905.846364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.846364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.846364 (E_RNA) where: Base-Base interactions energy: -527.251 where: short stacking energy: -242.525 Base-Backbone interact. energy: -3.651 local terms energy: -374.944840 where: bonds (distance) C4'-P energy: -88.697 bonds (distance) P-C4' energy: -101.568 flat angles C4'-P-C4' energy: -87.546 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: -42.319 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: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -774.775040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.775040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.775040 (E_RNA) where: Base-Base interactions energy: -430.891 where: short stacking energy: -232.610 Base-Backbone interact. energy: 2.885 local terms energy: -346.768879 where: bonds (distance) C4'-P energy: -83.160 bonds (distance) P-C4' energy: -97.273 flat angles C4'-P-C4' energy: -72.854 flat angles P-C4'-P energy: -61.904 tors. eta vs tors. theta energy: -31.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -656.736596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.736596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.736596 (E_RNA) where: Base-Base interactions energy: -331.267 where: short stacking energy: -210.251 Base-Backbone interact. energy: -1.066 local terms energy: -324.403769 where: bonds (distance) C4'-P energy: -80.266 bonds (distance) P-C4' energy: -89.081 flat angles C4'-P-C4' energy: -82.514 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: -18.552 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: 244 Temperature: 1.350000 Total energy: -453.076582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.076582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.076582 (E_RNA) where: Base-Base interactions energy: -176.191 where: short stacking energy: -142.099 Base-Backbone interact. energy: 1.744 local terms energy: -278.630067 where: bonds (distance) C4'-P energy: -77.250 bonds (distance) P-C4' energy: -101.523 flat angles C4'-P-C4' energy: -79.358 flat angles P-C4'-P energy: -32.789 tors. eta vs tors. theta energy: 12.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1759.377541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.377541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.377541 (E_RNA) where: Base-Base interactions energy: -1177.232 where: short stacking energy: -536.189 Base-Backbone interact. energy: -4.092 local terms energy: -578.053549 where: bonds (distance) C4'-P energy: -104.485 bonds (distance) P-C4' energy: -107.351 flat angles C4'-P-C4' energy: -116.020 flat angles P-C4'-P energy: -93.248 tors. eta vs tors. theta energy: -156.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1755.902327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.902327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.902327 (E_RNA) where: Base-Base interactions energy: -1189.548 where: short stacking energy: -529.160 Base-Backbone interact. energy: -1.007 local terms energy: -565.347489 where: bonds (distance) C4'-P energy: -113.129 bonds (distance) P-C4' energy: -103.197 flat angles C4'-P-C4' energy: -124.770 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -151.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1543.375956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.375956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.375956 (E_RNA) where: Base-Base interactions energy: -1005.987 where: short stacking energy: -483.387 Base-Backbone interact. energy: -1.948 local terms energy: -535.441029 where: bonds (distance) C4'-P energy: -100.068 bonds (distance) P-C4' energy: -103.916 flat angles C4'-P-C4' energy: -118.376 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -140.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1462.032542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.032542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.032542 (E_RNA) where: Base-Base interactions energy: -979.855 where: short stacking energy: -419.695 Base-Backbone interact. energy: -0.853 local terms energy: -481.324640 where: bonds (distance) C4'-P energy: -96.955 bonds (distance) P-C4' energy: -99.853 flat angles C4'-P-C4' energy: -101.657 flat angles P-C4'-P energy: -72.601 tors. eta vs tors. theta energy: -110.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1327.249376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.249376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.249376 (E_RNA) where: Base-Base interactions energy: -858.379 where: short stacking energy: -368.648 Base-Backbone interact. energy: -2.277 local terms energy: -466.593751 where: bonds (distance) C4'-P energy: -93.381 bonds (distance) P-C4' energy: -99.918 flat angles C4'-P-C4' energy: -110.780 flat angles P-C4'-P energy: -72.270 tors. eta vs tors. theta energy: -90.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1160.560203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.560203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.560203 (E_RNA) where: Base-Base interactions energy: -714.855 where: short stacking energy: -354.356 Base-Backbone interact. energy: -0.995 local terms energy: -444.710744 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -97.620 flat angles C4'-P-C4' energy: -92.294 flat angles P-C4'-P energy: -82.235 tors. eta vs tors. theta energy: -68.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -924.842387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.842387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.842387 (E_RNA) where: Base-Base interactions energy: -531.526 where: short stacking energy: -257.145 Base-Backbone interact. energy: -3.045 local terms energy: -390.271170 where: bonds (distance) C4'-P energy: -104.458 bonds (distance) P-C4' energy: -91.601 flat angles C4'-P-C4' energy: -108.183 flat angles P-C4'-P energy: -55.477 tors. eta vs tors. theta energy: -30.552 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: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -752.640160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.640160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.640160 (E_RNA) where: Base-Base interactions energy: -398.058 where: short stacking energy: -203.193 Base-Backbone interact. energy: 2.901 local terms energy: -357.482403 where: bonds (distance) C4'-P energy: -96.743 bonds (distance) P-C4' energy: -100.904 flat angles C4'-P-C4' energy: -83.029 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -23.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -643.308006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.308006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.308006 (E_RNA) where: Base-Base interactions energy: -311.228 where: short stacking energy: -161.927 Base-Backbone interact. energy: -1.708 local terms energy: -330.371734 where: bonds (distance) C4'-P energy: -99.017 bonds (distance) P-C4' energy: -89.172 flat angles C4'-P-C4' energy: -85.937 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -6.033 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: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -423.753945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.753945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.753945 (E_RNA) where: Base-Base interactions energy: -156.220 where: short stacking energy: -117.583 Base-Backbone interact. energy: 0.748 local terms energy: -268.281690 where: bonds (distance) C4'-P energy: -91.408 bonds (distance) P-C4' energy: -89.720 flat angles C4'-P-C4' energy: -60.839 flat angles P-C4'-P energy: -53.091 tors. eta vs tors. theta energy: 26.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1808.459895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.459895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.459895 (E_RNA) where: Base-Base interactions energy: -1233.209 where: short stacking energy: -561.356 Base-Backbone interact. energy: -3.726 local terms energy: -571.525465 where: bonds (distance) C4'-P energy: -110.929 bonds (distance) P-C4' energy: -102.768 flat angles C4'-P-C4' energy: -123.300 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -157.057 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: 246 Temperature: 0.950000 Total energy: -1715.182027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.182027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.182027 (E_RNA) where: Base-Base interactions energy: -1161.690 where: short stacking energy: -518.223 Base-Backbone interact. energy: -0.229 local terms energy: -553.262753 where: bonds (distance) C4'-P energy: -108.277 bonds (distance) P-C4' energy: -102.415 flat angles C4'-P-C4' energy: -125.742 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -139.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1556.509038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.509038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.509038 (E_RNA) where: Base-Base interactions energy: -1015.677 where: short stacking energy: -461.123 Base-Backbone interact. energy: -1.721 local terms energy: -539.110641 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -95.303 flat angles C4'-P-C4' energy: -128.512 flat angles P-C4'-P energy: -79.712 tors. eta vs tors. theta energy: -120.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1490.071848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.071848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.071848 (E_RNA) where: Base-Base interactions energy: -1003.002 where: short stacking energy: -450.004 Base-Backbone interact. energy: -1.637 local terms energy: -485.433280 where: bonds (distance) C4'-P energy: -95.985 bonds (distance) P-C4' energy: -97.357 flat angles C4'-P-C4' energy: -111.679 flat angles P-C4'-P energy: -70.082 tors. eta vs tors. theta energy: -110.329 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: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1369.690605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.690605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.690605 (E_RNA) where: Base-Base interactions energy: -880.753 where: short stacking energy: -398.440 Base-Backbone interact. energy: -1.238 local terms energy: -487.699819 where: bonds (distance) C4'-P energy: -85.397 bonds (distance) P-C4' energy: -105.761 flat angles C4'-P-C4' energy: -118.831 flat angles P-C4'-P energy: -73.639 tors. eta vs tors. theta energy: -104.072 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: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1179.201235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.201235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.201235 (E_RNA) where: Base-Base interactions energy: -731.882 where: short stacking energy: -337.742 Base-Backbone interact. energy: -3.151 local terms energy: -444.168219 where: bonds (distance) C4'-P energy: -69.955 bonds (distance) P-C4' energy: -98.811 flat angles C4'-P-C4' energy: -121.985 flat angles P-C4'-P energy: -74.438 tors. eta vs tors. theta energy: -78.979 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: 246 Temperature: 1.200000 Total energy: -949.275600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.275600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.275600 (E_RNA) where: Base-Base interactions energy: -560.621 where: short stacking energy: -259.532 Base-Backbone interact. energy: -4.512 local terms energy: -384.142170 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -94.696 flat angles C4'-P-C4' energy: -88.493 flat angles P-C4'-P energy: -70.016 tors. eta vs tors. theta energy: -40.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -787.071238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.071238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.071238 (E_RNA) where: Base-Base interactions energy: -442.638 where: short stacking energy: -235.188 Base-Backbone interact. energy: 3.717 local terms energy: -348.149760 where: bonds (distance) C4'-P energy: -86.995 bonds (distance) P-C4' energy: -108.421 flat angles C4'-P-C4' energy: -71.304 flat angles P-C4'-P energy: -55.479 tors. eta vs tors. theta energy: -25.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -660.731006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.731006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.731006 (E_RNA) where: Base-Base interactions energy: -349.859 where: short stacking energy: -188.966 Base-Backbone interact. energy: 0.494 local terms energy: -311.366205 where: bonds (distance) C4'-P energy: -98.423 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -72.634 flat angles P-C4'-P energy: -39.641 tors. eta vs tors. theta energy: -9.706 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: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -411.525270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.525270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.525270 (E_RNA) where: Base-Base interactions energy: -139.504 where: short stacking energy: -108.927 Base-Backbone interact. energy: 4.105 local terms energy: -276.125580 where: bonds (distance) C4'-P energy: -77.027 bonds (distance) P-C4' energy: -100.675 flat angles C4'-P-C4' energy: -59.014 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: 18.824 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: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1833.938477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.938477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.938477 (E_RNA) where: Base-Base interactions energy: -1225.208 where: short stacking energy: -557.669 Base-Backbone interact. energy: 1.187 local terms energy: -609.917717 where: bonds (distance) C4'-P energy: -123.050 bonds (distance) P-C4' energy: -99.507 flat angles C4'-P-C4' energy: -130.225 flat angles P-C4'-P energy: -86.696 tors. eta vs tors. theta energy: -170.440 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: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1714.905161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.905161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.905161 (E_RNA) where: Base-Base interactions energy: -1126.574 where: short stacking energy: -515.918 Base-Backbone interact. energy: -1.870 local terms energy: -586.460262 where: bonds (distance) C4'-P energy: -111.684 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -115.673 flat angles P-C4'-P energy: -96.015 tors. eta vs tors. theta energy: -148.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1572.760828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.760828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.760828 (E_RNA) where: Base-Base interactions energy: -1037.318 where: short stacking energy: -480.731 Base-Backbone interact. energy: -0.757 local terms energy: -534.686071 where: bonds (distance) C4'-P energy: -99.256 bonds (distance) P-C4' energy: -106.763 flat angles C4'-P-C4' energy: -115.008 flat angles P-C4'-P energy: -77.016 tors. eta vs tors. theta energy: -136.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1494.680389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.680389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.680389 (E_RNA) where: Base-Base interactions energy: -991.354 where: short stacking energy: -437.090 Base-Backbone interact. energy: -2.637 local terms energy: -500.689031 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -103.186 flat angles C4'-P-C4' energy: -110.313 flat angles P-C4'-P energy: -78.410 tors. eta vs tors. theta energy: -102.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1410.356314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.356314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.356314 (E_RNA) where: Base-Base interactions energy: -927.159 where: short stacking energy: -433.695 Base-Backbone interact. energy: -0.113 local terms energy: -483.084405 where: bonds (distance) C4'-P energy: -99.212 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -80.330 tors. eta vs tors. theta energy: -113.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1175.115324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.115324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.115324 (E_RNA) where: Base-Base interactions energy: -742.876 where: short stacking energy: -366.875 Base-Backbone interact. energy: 0.065 local terms energy: -432.304889 where: bonds (distance) C4'-P energy: -93.761 bonds (distance) P-C4' energy: -90.316 flat angles C4'-P-C4' energy: -107.801 flat angles P-C4'-P energy: -65.908 tors. eta vs tors. theta energy: -74.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -930.956018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.956018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.956018 (E_RNA) where: Base-Base interactions energy: -548.207 where: short stacking energy: -280.442 Base-Backbone interact. energy: 0.996 local terms energy: -383.744299 where: bonds (distance) C4'-P energy: -88.860 bonds (distance) P-C4' energy: -101.544 flat angles C4'-P-C4' energy: -83.561 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -53.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -792.161729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.161729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.161729 (E_RNA) where: Base-Base interactions energy: -447.002 where: short stacking energy: -242.179 Base-Backbone interact. energy: 0.138 local terms energy: -345.298118 where: bonds (distance) C4'-P energy: -94.812 bonds (distance) P-C4' energy: -85.062 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -55.233 tors. eta vs tors. theta energy: -25.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -666.754706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.754706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.754706 (E_RNA) where: Base-Base interactions energy: -342.094 where: short stacking energy: -188.789 Base-Backbone interact. energy: -1.249 local terms energy: -323.411292 where: bonds (distance) C4'-P energy: -90.139 bonds (distance) P-C4' energy: -88.935 flat angles C4'-P-C4' energy: -87.175 flat angles P-C4'-P energy: -49.905 tors. eta vs tors. theta energy: -7.257 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: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -421.221703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.221703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.221703 (E_RNA) where: Base-Base interactions energy: -152.325 where: short stacking energy: -138.995 Base-Backbone interact. energy: 1.080 local terms energy: -269.977491 where: bonds (distance) C4'-P energy: -86.128 bonds (distance) P-C4' energy: -80.448 flat angles C4'-P-C4' energy: -64.467 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: 7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1792.903318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.903318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.903318 (E_RNA) where: Base-Base interactions energy: -1210.035 where: short stacking energy: -544.220 Base-Backbone interact. energy: -2.379 local terms energy: -580.489581 where: bonds (distance) C4'-P energy: -109.157 bonds (distance) P-C4' energy: -111.052 flat angles C4'-P-C4' energy: -124.658 flat angles P-C4'-P energy: -78.256 tors. eta vs tors. theta energy: -157.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1707.641191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.641191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.641191 (E_RNA) where: Base-Base interactions energy: -1181.640 where: short stacking energy: -509.644 Base-Backbone interact. energy: 0.902 local terms energy: -526.904149 where: bonds (distance) C4'-P energy: -93.533 bonds (distance) P-C4' energy: -102.193 flat angles C4'-P-C4' energy: -126.900 flat angles P-C4'-P energy: -59.748 tors. eta vs tors. theta energy: -144.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1586.067373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.067373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.067373 (E_RNA) where: Base-Base interactions energy: -1040.342 where: short stacking energy: -501.233 Base-Backbone interact. energy: 0.614 local terms energy: -546.339383 where: bonds (distance) C4'-P energy: -96.650 bonds (distance) P-C4' energy: -110.161 flat angles C4'-P-C4' energy: -112.768 flat angles P-C4'-P energy: -71.212 tors. eta vs tors. theta energy: -155.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1463.333503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.333503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.333503 (E_RNA) where: Base-Base interactions energy: -984.437 where: short stacking energy: -417.330 Base-Backbone interact. energy: -2.960 local terms energy: -475.936018 where: bonds (distance) C4'-P energy: -94.239 bonds (distance) P-C4' energy: -102.285 flat angles C4'-P-C4' energy: -115.105 flat angles P-C4'-P energy: -70.324 tors. eta vs tors. theta energy: -93.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1351.478189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.478189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.478189 (E_RNA) where: Base-Base interactions energy: -879.813 where: short stacking energy: -380.762 Base-Backbone interact. energy: -1.466 local terms energy: -470.198419 where: bonds (distance) C4'-P energy: -97.179 bonds (distance) P-C4' energy: -107.390 flat angles C4'-P-C4' energy: -100.040 flat angles P-C4'-P energy: -61.105 tors. eta vs tors. theta energy: -104.485 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: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1202.594429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.594429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.594429 (E_RNA) where: Base-Base interactions energy: -782.451 where: short stacking energy: -365.896 Base-Backbone interact. energy: -1.054 local terms energy: -419.089628 where: bonds (distance) C4'-P energy: -96.690 bonds (distance) P-C4' energy: -86.833 flat angles C4'-P-C4' energy: -103.279 flat angles P-C4'-P energy: -50.811 tors. eta vs tors. theta energy: -81.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -947.204894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.204894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.204894 (E_RNA) where: Base-Base interactions energy: -565.750 where: short stacking energy: -288.972 Base-Backbone interact. energy: -1.525 local terms energy: -379.929954 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -96.086 flat angles C4'-P-C4' energy: -101.877 flat angles P-C4'-P energy: -52.409 tors. eta vs tors. theta energy: -51.809 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: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -809.037376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.037376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.037376 (E_RNA) where: Base-Base interactions energy: -437.006 where: short stacking energy: -227.527 Base-Backbone interact. energy: -1.004 local terms energy: -371.027049 where: bonds (distance) C4'-P energy: -102.560 bonds (distance) P-C4' energy: -99.282 flat angles C4'-P-C4' energy: -77.571 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: -25.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -666.531627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.531627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.531627 (E_RNA) where: Base-Base interactions energy: -350.864 where: short stacking energy: -165.916 Base-Backbone interact. energy: -1.330 local terms energy: -314.337411 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -92.677 flat angles C4'-P-C4' energy: -82.032 flat angles P-C4'-P energy: -51.167 tors. eta vs tors. theta energy: 4.703 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: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -429.363990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.363990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.363990 (E_RNA) where: Base-Base interactions energy: -144.740 where: short stacking energy: -128.751 Base-Backbone interact. energy: 1.999 local terms energy: -286.623324 where: bonds (distance) C4'-P energy: -90.085 bonds (distance) P-C4' energy: -80.678 flat angles C4'-P-C4' energy: -91.050 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: 12.648 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: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1812.691863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.691863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.691863 (E_RNA) where: Base-Base interactions energy: -1214.785 where: short stacking energy: -547.377 Base-Backbone interact. energy: -3.672 local terms energy: -594.234937 where: bonds (distance) C4'-P energy: -114.015 bonds (distance) P-C4' energy: -121.586 flat angles C4'-P-C4' energy: -123.787 flat angles P-C4'-P energy: -81.449 tors. eta vs tors. theta energy: -153.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1687.750072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.750072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.750072 (E_RNA) where: Base-Base interactions energy: -1132.467 where: short stacking energy: -507.518 Base-Backbone interact. energy: -5.034 local terms energy: -550.248365 where: bonds (distance) C4'-P energy: -100.229 bonds (distance) P-C4' energy: -105.352 flat angles C4'-P-C4' energy: -126.101 flat angles P-C4'-P energy: -81.903 tors. eta vs tors. theta energy: -136.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1585.819418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.819418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.819418 (E_RNA) where: Base-Base interactions energy: -1061.872 where: short stacking energy: -511.913 Base-Backbone interact. energy: -1.389 local terms energy: -522.558507 where: bonds (distance) C4'-P energy: -96.342 bonds (distance) P-C4' energy: -98.216 flat angles C4'-P-C4' energy: -127.046 flat angles P-C4'-P energy: -67.580 tors. eta vs tors. theta energy: -133.374 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: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1469.924314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.924314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.924314 (E_RNA) where: Base-Base interactions energy: -978.977 where: short stacking energy: -433.349 Base-Backbone interact. energy: -2.619 local terms energy: -488.328306 where: bonds (distance) C4'-P energy: -88.444 bonds (distance) P-C4' energy: -87.174 flat angles C4'-P-C4' energy: -110.192 flat angles P-C4'-P energy: -77.051 tors. eta vs tors. theta energy: -125.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1302.578025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.578025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.578025 (E_RNA) where: Base-Base interactions energy: -829.236 where: short stacking energy: -360.700 Base-Backbone interact. energy: -1.933 local terms energy: -471.408906 where: bonds (distance) C4'-P energy: -88.242 bonds (distance) P-C4' energy: -99.216 flat angles C4'-P-C4' energy: -109.659 flat angles P-C4'-P energy: -83.466 tors. eta vs tors. theta energy: -90.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1210.445388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.445388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.445388 (E_RNA) where: Base-Base interactions energy: -780.835 where: short stacking energy: -372.704 Base-Backbone interact. energy: 9.545 local terms energy: -439.155383 where: bonds (distance) C4'-P energy: -90.565 bonds (distance) P-C4' energy: -93.618 flat angles C4'-P-C4' energy: -108.044 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -87.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -902.886411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.886411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.886411 (E_RNA) where: Base-Base interactions energy: -542.078 where: short stacking energy: -254.277 Base-Backbone interact. energy: 1.840 local terms energy: -362.648583 where: bonds (distance) C4'-P energy: -98.997 bonds (distance) P-C4' energy: -101.116 flat angles C4'-P-C4' energy: -87.324 flat angles P-C4'-P energy: -50.451 tors. eta vs tors. theta energy: -24.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -842.971528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.971528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.971528 (E_RNA) where: Base-Base interactions energy: -477.068 where: short stacking energy: -264.781 Base-Backbone interact. energy: -1.160 local terms energy: -364.744002 where: bonds (distance) C4'-P energy: -91.035 bonds (distance) P-C4' energy: -98.609 flat angles C4'-P-C4' energy: -92.089 flat angles P-C4'-P energy: -43.823 tors. eta vs tors. theta energy: -39.188 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: 9, replica: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -687.128026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.128026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.128026 (E_RNA) where: Base-Base interactions energy: -343.706 where: short stacking energy: -181.129 Base-Backbone interact. energy: 3.518 local terms energy: -346.939560 where: bonds (distance) C4'-P energy: -80.008 bonds (distance) P-C4' energy: -110.620 flat angles C4'-P-C4' energy: -94.373 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -5.620 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: 249 Temperature: 1.350000 Total energy: -422.233431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.233431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.233431 (E_RNA) where: Base-Base interactions energy: -139.801 where: short stacking energy: -107.909 Base-Backbone interact. energy: -1.326 local terms energy: -281.106681 where: bonds (distance) C4'-P energy: -85.655 bonds (distance) P-C4' energy: -94.676 flat angles C4'-P-C4' energy: -81.269 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: 28.659 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: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1811.496292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.496292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.496292 (E_RNA) where: Base-Base interactions energy: -1236.433 where: short stacking energy: -557.913 Base-Backbone interact. energy: -3.542 local terms energy: -571.521020 where: bonds (distance) C4'-P energy: -107.656 bonds (distance) P-C4' energy: -113.220 flat angles C4'-P-C4' energy: -118.476 flat angles P-C4'-P energy: -77.056 tors. eta vs tors. theta energy: -155.114 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: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1730.668366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.668366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.668366 (E_RNA) where: Base-Base interactions energy: -1185.920 where: short stacking energy: -515.264 Base-Backbone interact. energy: -1.491 local terms energy: -543.257079 where: bonds (distance) C4'-P energy: -103.187 bonds (distance) P-C4' energy: -102.386 flat angles C4'-P-C4' energy: -121.861 flat angles P-C4'-P energy: -81.134 tors. eta vs tors. theta energy: -134.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1609.580742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.580742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.580742 (E_RNA) where: Base-Base interactions energy: -1076.113 where: short stacking energy: -480.331 Base-Backbone interact. energy: -1.206 local terms energy: -532.261622 where: bonds (distance) C4'-P energy: -99.039 bonds (distance) P-C4' energy: -95.471 flat angles C4'-P-C4' energy: -121.395 flat angles P-C4'-P energy: -81.882 tors. eta vs tors. theta energy: -134.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1502.620569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.620569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.620569 (E_RNA) where: Base-Base interactions energy: -992.652 where: short stacking energy: -439.844 Base-Backbone interact. energy: 2.261 local terms energy: -512.229928 where: bonds (distance) C4'-P energy: -97.568 bonds (distance) P-C4' energy: -110.744 flat angles C4'-P-C4' energy: -113.722 flat angles P-C4'-P energy: -68.988 tors. eta vs tors. theta energy: -121.208 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: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1364.825217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.825217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.825217 (E_RNA) where: Base-Base interactions energy: -899.761 where: short stacking energy: -404.412 Base-Backbone interact. energy: -2.214 local terms energy: -462.850559 where: bonds (distance) C4'-P energy: -96.656 bonds (distance) P-C4' energy: -90.506 flat angles C4'-P-C4' energy: -107.945 flat angles P-C4'-P energy: -59.899 tors. eta vs tors. theta energy: -107.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1243.158351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.158351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.158351 (E_RNA) where: Base-Base interactions energy: -824.530 where: short stacking energy: -368.688 Base-Backbone interact. energy: 2.634 local terms energy: -421.262126 where: bonds (distance) C4'-P energy: -85.748 bonds (distance) P-C4' energy: -98.317 flat angles C4'-P-C4' energy: -97.591 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -95.005 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: 250 Temperature: 1.200000 Total energy: -896.925930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.925930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.925930 (E_RNA) where: Base-Base interactions energy: -512.271 where: short stacking energy: -273.513 Base-Backbone interact. energy: -1.038 local terms energy: -383.617357 where: bonds (distance) C4'-P energy: -90.163 bonds (distance) P-C4' energy: -78.528 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -69.341 tors. eta vs tors. theta energy: -48.371 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: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -797.734221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.734221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.734221 (E_RNA) where: Base-Base interactions energy: -406.940 where: short stacking energy: -228.710 Base-Backbone interact. energy: -1.385 local terms energy: -389.408875 where: bonds (distance) C4'-P energy: -101.737 bonds (distance) P-C4' energy: -104.089 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -58.704 tors. eta vs tors. theta energy: -37.733 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: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -692.787634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.787634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.787634 (E_RNA) where: Base-Base interactions energy: -382.378 where: short stacking energy: -205.278 Base-Backbone interact. energy: -0.307 local terms energy: -310.102181 where: bonds (distance) C4'-P energy: -79.810 bonds (distance) P-C4' energy: -87.575 flat angles C4'-P-C4' energy: -72.875 flat angles P-C4'-P energy: -54.600 tors. eta vs tors. theta energy: -15.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -456.549935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.549935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.549935 (E_RNA) where: Base-Base interactions energy: -161.657 where: short stacking energy: -111.025 Base-Backbone interact. energy: -0.540 local terms energy: -294.353409 where: bonds (distance) C4'-P energy: -100.286 bonds (distance) P-C4' energy: -93.027 flat angles C4'-P-C4' energy: -94.363 flat angles P-C4'-P energy: -33.795 tors. eta vs tors. theta energy: 27.118 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: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1792.861235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.861235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.861235 (E_RNA) where: Base-Base interactions energy: -1218.612 where: short stacking energy: -547.564 Base-Backbone interact. energy: -4.015 local terms energy: -570.233785 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -109.857 flat angles C4'-P-C4' energy: -124.070 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -159.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1712.114587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.114587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.114587 (E_RNA) where: Base-Base interactions energy: -1172.821 where: short stacking energy: -525.633 Base-Backbone interact. energy: -1.329 local terms energy: -537.964577 where: bonds (distance) C4'-P energy: -107.983 bonds (distance) P-C4' energy: -109.007 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -72.719 tors. eta vs tors. theta energy: -141.742 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: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1611.534785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.534785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.534785 (E_RNA) where: Base-Base interactions energy: -1080.686 where: short stacking energy: -503.189 Base-Backbone interact. energy: -3.639 local terms energy: -527.209633 where: bonds (distance) C4'-P energy: -96.551 bonds (distance) P-C4' energy: -96.298 flat angles C4'-P-C4' energy: -116.166 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -137.796 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: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1454.811010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.811010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.811010 (E_RNA) where: Base-Base interactions energy: -966.262 where: short stacking energy: -408.719 Base-Backbone interact. energy: -0.359 local terms energy: -488.190081 where: bonds (distance) C4'-P energy: -99.571 bonds (distance) P-C4' energy: -103.176 flat angles C4'-P-C4' energy: -112.194 flat angles P-C4'-P energy: -75.359 tors. eta vs tors. theta energy: -97.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1333.745834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.745834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.745834 (E_RNA) where: Base-Base interactions energy: -860.708 where: short stacking energy: -393.391 Base-Backbone interact. energy: -1.269 local terms energy: -471.769022 where: bonds (distance) C4'-P energy: -100.341 bonds (distance) P-C4' energy: -91.608 flat angles C4'-P-C4' energy: -108.352 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -101.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1312.597062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.597062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.597062 (E_RNA) where: Base-Base interactions energy: -852.559 where: short stacking energy: -375.171 Base-Backbone interact. energy: -2.635 local terms energy: -457.403502 where: bonds (distance) C4'-P energy: -89.905 bonds (distance) P-C4' energy: -103.301 flat angles C4'-P-C4' energy: -98.461 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: -94.883 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: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -911.829517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.829517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.829517 (E_RNA) where: Base-Base interactions energy: -573.677 where: short stacking energy: -257.936 Base-Backbone interact. energy: -1.146 local terms energy: -337.006807 where: bonds (distance) C4'-P energy: -85.682 bonds (distance) P-C4' energy: -106.916 flat angles C4'-P-C4' energy: -96.050 flat angles P-C4'-P energy: -30.901 tors. eta vs tors. theta energy: -17.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -797.721785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.721785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.721785 (E_RNA) where: Base-Base interactions energy: -460.348 where: short stacking energy: -239.817 Base-Backbone interact. energy: 0.770 local terms energy: -338.143963 where: bonds (distance) C4'-P energy: -95.466 bonds (distance) P-C4' energy: -92.082 flat angles C4'-P-C4' energy: -90.470 flat angles P-C4'-P energy: -41.513 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -744.217970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.217970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.217970 (E_RNA) where: Base-Base interactions energy: -430.148 where: short stacking energy: -227.829 Base-Backbone interact. energy: 4.326 local terms energy: -318.395729 where: bonds (distance) C4'-P energy: -85.843 bonds (distance) P-C4' energy: -87.993 flat angles C4'-P-C4' energy: -70.073 flat angles P-C4'-P energy: -48.247 tors. eta vs tors. theta energy: -26.239 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: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -445.966529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.966529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.966529 (E_RNA) where: Base-Base interactions energy: -152.108 where: short stacking energy: -123.970 Base-Backbone interact. energy: -2.419 local terms energy: -291.440050 where: bonds (distance) C4'-P energy: -80.261 bonds (distance) P-C4' energy: -99.154 flat angles C4'-P-C4' energy: -93.923 flat angles P-C4'-P energy: -27.307 tors. eta vs tors. theta energy: 9.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1783.119585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.119585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.119585 (E_RNA) where: Base-Base interactions energy: -1183.435 where: short stacking energy: -526.790 Base-Backbone interact. energy: -5.710 local terms energy: -593.975076 where: bonds (distance) C4'-P energy: -107.739 bonds (distance) P-C4' energy: -111.130 flat angles C4'-P-C4' energy: -125.113 flat angles P-C4'-P energy: -97.599 tors. eta vs tors. theta energy: -152.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1693.827705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.827705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.827705 (E_RNA) where: Base-Base interactions energy: -1150.211 where: short stacking energy: -491.802 Base-Backbone interact. energy: 0.505 local terms energy: -544.122616 where: bonds (distance) C4'-P energy: -103.320 bonds (distance) P-C4' energy: -113.136 flat angles C4'-P-C4' energy: -127.487 flat angles P-C4'-P energy: -71.449 tors. eta vs tors. theta energy: -128.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1623.035452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.035452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.035452 (E_RNA) where: Base-Base interactions energy: -1078.106 where: short stacking energy: -522.190 Base-Backbone interact. energy: -3.689 local terms energy: -541.240382 where: bonds (distance) C4'-P energy: -101.490 bonds (distance) P-C4' energy: -95.017 flat angles C4'-P-C4' energy: -115.604 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: -157.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1418.151058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.151058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.151058 (E_RNA) where: Base-Base interactions energy: -936.656 where: short stacking energy: -420.390 Base-Backbone interact. energy: 1.798 local terms energy: -483.292832 where: bonds (distance) C4'-P energy: -99.932 bonds (distance) P-C4' energy: -101.486 flat angles C4'-P-C4' energy: -106.325 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -107.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1389.612235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.612235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.612235 (E_RNA) where: Base-Base interactions energy: -941.622 where: short stacking energy: -411.721 Base-Backbone interact. energy: -2.768 local terms energy: -445.222681 where: bonds (distance) C4'-P energy: -83.921 bonds (distance) P-C4' energy: -96.252 flat angles C4'-P-C4' energy: -96.906 flat angles P-C4'-P energy: -51.641 tors. eta vs tors. theta energy: -116.502 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: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1280.877036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.877036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.877036 (E_RNA) where: Base-Base interactions energy: -815.059 where: short stacking energy: -390.750 Base-Backbone interact. energy: -0.022 local terms energy: -465.796609 where: bonds (distance) C4'-P energy: -95.605 bonds (distance) P-C4' energy: -107.634 flat angles C4'-P-C4' energy: -107.578 flat angles P-C4'-P energy: -65.561 tors. eta vs tors. theta energy: -89.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -878.449652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.449652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.449652 (E_RNA) where: Base-Base interactions energy: -517.255 where: short stacking energy: -254.176 Base-Backbone interact. energy: -3.370 local terms energy: -357.825134 where: bonds (distance) C4'-P energy: -75.313 bonds (distance) P-C4' energy: -98.256 flat angles C4'-P-C4' energy: -93.978 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -42.580 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: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -796.514980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.514980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.514980 (E_RNA) where: Base-Base interactions energy: -433.187 where: short stacking energy: -230.046 Base-Backbone interact. energy: 1.294 local terms energy: -364.622617 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -111.582 flat angles C4'-P-C4' energy: -89.391 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -28.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -705.231709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.231709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.231709 (E_RNA) where: Base-Base interactions energy: -401.108 where: short stacking energy: -218.058 Base-Backbone interact. energy: -1.106 local terms energy: -303.017751 where: bonds (distance) C4'-P energy: -84.903 bonds (distance) P-C4' energy: -84.672 flat angles C4'-P-C4' energy: -62.761 flat angles P-C4'-P energy: -62.111 tors. eta vs tors. theta energy: -8.570 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: 252 Temperature: 1.350000 Total energy: -447.764690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.764690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.764690 (E_RNA) where: Base-Base interactions energy: -173.739 where: short stacking energy: -143.339 Base-Backbone interact. energy: 2.827 local terms energy: -276.852857 where: bonds (distance) C4'-P energy: -84.904 bonds (distance) P-C4' energy: -79.877 flat angles C4'-P-C4' energy: -68.681 flat angles P-C4'-P energy: -44.718 tors. eta vs tors. theta energy: 1.328 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: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1807.492000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.492000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.492000 (E_RNA) where: Base-Base interactions energy: -1210.333 where: short stacking energy: -577.566 Base-Backbone interact. energy: -0.874 local terms energy: -596.284501 where: bonds (distance) C4'-P energy: -102.282 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -129.305 flat angles P-C4'-P energy: -84.839 tors. eta vs tors. theta energy: -164.787 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: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1696.255100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.255100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.255100 (E_RNA) where: Base-Base interactions energy: -1131.537 where: short stacking energy: -487.615 Base-Backbone interact. energy: -3.825 local terms energy: -560.893294 where: bonds (distance) C4'-P energy: -101.556 bonds (distance) P-C4' energy: -115.034 flat angles C4'-P-C4' energy: -119.443 flat angles P-C4'-P energy: -83.428 tors. eta vs tors. theta energy: -141.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1604.724046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.724046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.724046 (E_RNA) where: Base-Base interactions energy: -1063.155 where: short stacking energy: -525.745 Base-Backbone interact. energy: 1.047 local terms energy: -542.615170 where: bonds (distance) C4'-P energy: -101.862 bonds (distance) P-C4' energy: -102.359 flat angles C4'-P-C4' energy: -115.834 flat angles P-C4'-P energy: -71.482 tors. eta vs tors. theta energy: -151.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1452.829100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.829100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.829100 (E_RNA) where: Base-Base interactions energy: -997.901 where: short stacking energy: -426.659 Base-Backbone interact. energy: -1.590 local terms energy: -453.337615 where: bonds (distance) C4'-P energy: -86.798 bonds (distance) P-C4' energy: -89.925 flat angles C4'-P-C4' energy: -109.046 flat angles P-C4'-P energy: -66.281 tors. eta vs tors. theta energy: -101.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1377.465636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.465636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.465636 (E_RNA) where: Base-Base interactions energy: -893.429 where: short stacking energy: -406.267 Base-Backbone interact. energy: 0.822 local terms energy: -484.859003 where: bonds (distance) C4'-P energy: -86.837 bonds (distance) P-C4' energy: -107.051 flat angles C4'-P-C4' energy: -118.908 flat angles P-C4'-P energy: -62.529 tors. eta vs tors. theta energy: -109.533 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: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1249.010156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.010156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.010156 (E_RNA) where: Base-Base interactions energy: -790.429 where: short stacking energy: -349.388 Base-Backbone interact. energy: -3.599 local terms energy: -454.982215 where: bonds (distance) C4'-P energy: -90.739 bonds (distance) P-C4' energy: -102.598 flat angles C4'-P-C4' energy: -104.019 flat angles P-C4'-P energy: -59.362 tors. eta vs tors. theta energy: -98.264 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: 253 Temperature: 1.200000 Total energy: -881.712649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.712649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.712649 (E_RNA) where: Base-Base interactions energy: -489.392 where: short stacking energy: -255.145 Base-Backbone interact. energy: -0.438 local terms energy: -391.883107 where: bonds (distance) C4'-P energy: -92.738 bonds (distance) P-C4' energy: -104.419 flat angles C4'-P-C4' energy: -76.424 flat angles P-C4'-P energy: -70.622 tors. eta vs tors. theta energy: -47.680 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: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -716.415914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.415914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.415914 (E_RNA) where: Base-Base interactions energy: -413.245 where: short stacking energy: -224.566 Base-Backbone interact. energy: 0.522 local terms energy: -303.691969 where: bonds (distance) C4'-P energy: -80.482 bonds (distance) P-C4' energy: -91.882 flat angles C4'-P-C4' energy: -78.660 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -7.897 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: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -707.884538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.884538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.884538 (E_RNA) where: Base-Base interactions energy: -390.555 where: short stacking energy: -191.114 Base-Backbone interact. energy: 9.343 local terms energy: -326.672706 where: bonds (distance) C4'-P energy: -89.549 bonds (distance) P-C4' energy: -109.155 flat angles C4'-P-C4' energy: -72.011 flat angles P-C4'-P energy: -52.216 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -443.370015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.370015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.370015 (E_RNA) where: Base-Base interactions energy: -126.908 where: short stacking energy: -102.054 Base-Backbone interact. energy: 2.344 local terms energy: -318.806514 where: bonds (distance) C4'-P energy: -92.072 bonds (distance) P-C4' energy: -113.485 flat angles C4'-P-C4' energy: -73.988 flat angles P-C4'-P energy: -55.732 tors. eta vs tors. theta energy: 16.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1783.037150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.037150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.037150 (E_RNA) where: Base-Base interactions energy: -1183.745 where: short stacking energy: -561.337 Base-Backbone interact. energy: -3.042 local terms energy: -596.250702 where: bonds (distance) C4'-P energy: -102.727 bonds (distance) P-C4' energy: -119.259 flat angles C4'-P-C4' energy: -135.789 flat angles P-C4'-P energy: -78.725 tors. eta vs tors. theta energy: -159.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1693.830169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.830169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.830169 (E_RNA) where: Base-Base interactions energy: -1134.316 where: short stacking energy: -488.859 Base-Backbone interact. energy: 1.796 local terms energy: -561.310071 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -111.620 flat angles C4'-P-C4' energy: -126.909 flat angles P-C4'-P energy: -83.582 tors. eta vs tors. theta energy: -137.347 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: 254 Temperature: 1.000000 Total energy: -1602.502546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.502546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.502546 (E_RNA) where: Base-Base interactions energy: -1050.244 where: short stacking energy: -495.691 Base-Backbone interact. energy: -4.237 local terms energy: -548.021393 where: bonds (distance) C4'-P energy: -108.907 bonds (distance) P-C4' energy: -111.111 flat angles C4'-P-C4' energy: -107.628 flat angles P-C4'-P energy: -77.663 tors. eta vs tors. theta energy: -142.711 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: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1461.349022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.349022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.349022 (E_RNA) where: Base-Base interactions energy: -968.408 where: short stacking energy: -419.226 Base-Backbone interact. energy: -3.632 local terms energy: -489.308846 where: bonds (distance) C4'-P energy: -104.838 bonds (distance) P-C4' energy: -98.699 flat angles C4'-P-C4' energy: -108.142 flat angles P-C4'-P energy: -74.218 tors. eta vs tors. theta energy: -103.412 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: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1327.166715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.166715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.166715 (E_RNA) where: Base-Base interactions energy: -889.140 where: short stacking energy: -413.670 Base-Backbone interact. energy: 0.473 local terms energy: -438.499178 where: bonds (distance) C4'-P energy: -82.924 bonds (distance) P-C4' energy: -83.148 flat angles C4'-P-C4' energy: -114.980 flat angles P-C4'-P energy: -59.086 tors. eta vs tors. theta energy: -98.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1197.798711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.798711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.798711 (E_RNA) where: Base-Base interactions energy: -790.281 where: short stacking energy: -344.097 Base-Backbone interact. energy: 1.621 local terms energy: -409.138627 where: bonds (distance) C4'-P energy: -67.749 bonds (distance) P-C4' energy: -101.632 flat angles C4'-P-C4' energy: -100.168 flat angles P-C4'-P energy: -55.499 tors. eta vs tors. theta energy: -84.091 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: 7, replica: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -876.298604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.298604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.298604 (E_RNA) where: Base-Base interactions energy: -500.767 where: short stacking energy: -254.502 Base-Backbone interact. energy: 1.159 local terms energy: -376.691334 where: bonds (distance) C4'-P energy: -101.211 bonds (distance) P-C4' energy: -106.893 flat angles C4'-P-C4' energy: -91.387 flat angles P-C4'-P energy: -50.456 tors. eta vs tors. theta energy: -26.743 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: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -827.314455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.314455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.314455 (E_RNA) where: Base-Base interactions energy: -484.470 where: short stacking energy: -265.411 Base-Backbone interact. energy: -0.206 local terms energy: -342.638874 where: bonds (distance) C4'-P energy: -88.730 bonds (distance) P-C4' energy: -74.144 flat angles C4'-P-C4' energy: -88.172 flat angles P-C4'-P energy: -53.882 tors. eta vs tors. theta energy: -37.712 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: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -700.951253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.951253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.951253 (E_RNA) where: Base-Base interactions energy: -376.865 where: short stacking energy: -221.767 Base-Backbone interact. energy: -1.817 local terms energy: -322.269734 where: bonds (distance) C4'-P energy: -89.133 bonds (distance) P-C4' energy: -73.769 flat angles C4'-P-C4' energy: -92.666 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: -26.017 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: 254 Temperature: 1.350000 Total energy: -449.055088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.055088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.055088 (E_RNA) where: Base-Base interactions energy: -160.530 where: short stacking energy: -134.016 Base-Backbone interact. energy: -1.644 local terms energy: -286.881603 where: bonds (distance) C4'-P energy: -90.655 bonds (distance) P-C4' energy: -94.963 flat angles C4'-P-C4' energy: -70.756 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: 16.120 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: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1837.707133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.707133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.707133 (E_RNA) where: Base-Base interactions energy: -1237.658 where: short stacking energy: -560.328 Base-Backbone interact. energy: -4.999 local terms energy: -595.049883 where: bonds (distance) C4'-P energy: -115.203 bonds (distance) P-C4' energy: -113.927 flat angles C4'-P-C4' energy: -128.777 flat angles P-C4'-P energy: -76.083 tors. eta vs tors. theta energy: -161.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1704.654001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.654001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.654001 (E_RNA) where: Base-Base interactions energy: -1137.758 where: short stacking energy: -507.089 Base-Backbone interact. energy: -0.229 local terms energy: -566.666828 where: bonds (distance) C4'-P energy: -101.271 bonds (distance) P-C4' energy: -112.729 flat angles C4'-P-C4' energy: -124.571 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -137.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1616.389801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.389801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.389801 (E_RNA) where: Base-Base interactions energy: -1080.498 where: short stacking energy: -482.680 Base-Backbone interact. energy: -2.671 local terms energy: -533.221020 where: bonds (distance) C4'-P energy: -112.604 bonds (distance) P-C4' energy: -96.577 flat angles C4'-P-C4' energy: -118.602 flat angles P-C4'-P energy: -71.110 tors. eta vs tors. theta energy: -134.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1469.355300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.355300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.355300 (E_RNA) where: Base-Base interactions energy: -968.965 where: short stacking energy: -423.656 Base-Backbone interact. energy: 2.508 local terms energy: -502.897812 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -106.410 flat angles C4'-P-C4' energy: -118.872 flat angles P-C4'-P energy: -62.411 tors. eta vs tors. theta energy: -108.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1346.626581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.626581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.626581 (E_RNA) where: Base-Base interactions energy: -893.104 where: short stacking energy: -396.923 Base-Backbone interact. energy: -0.445 local terms energy: -453.077567 where: bonds (distance) C4'-P energy: -89.947 bonds (distance) P-C4' energy: -94.121 flat angles C4'-P-C4' energy: -109.019 flat angles P-C4'-P energy: -69.538 tors. eta vs tors. theta energy: -90.452 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: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1246.271043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.271043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.271043 (E_RNA) where: Base-Base interactions energy: -778.469 where: short stacking energy: -336.817 Base-Backbone interact. energy: -3.271 local terms energy: -464.531319 where: bonds (distance) C4'-P energy: -95.854 bonds (distance) P-C4' energy: -109.296 flat angles C4'-P-C4' energy: -112.637 flat angles P-C4'-P energy: -58.999 tors. eta vs tors. theta energy: -87.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -879.975682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.975682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.975682 (E_RNA) where: Base-Base interactions energy: -502.073 where: short stacking energy: -282.610 Base-Backbone interact. energy: -2.264 local terms energy: -375.638279 where: bonds (distance) C4'-P energy: -88.541 bonds (distance) P-C4' energy: -100.927 flat angles C4'-P-C4' energy: -81.001 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -41.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -770.669144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.669144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.669144 (E_RNA) where: Base-Base interactions energy: -428.014 where: short stacking energy: -211.461 Base-Backbone interact. energy: -0.822 local terms energy: -341.833077 where: bonds (distance) C4'-P energy: -88.221 bonds (distance) P-C4' energy: -85.469 flat angles C4'-P-C4' energy: -92.808 flat angles P-C4'-P energy: -50.854 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: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -701.729020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.729020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.729020 (E_RNA) where: Base-Base interactions energy: -382.163 where: short stacking energy: -211.202 Base-Backbone interact. energy: -1.513 local terms energy: -318.052745 where: bonds (distance) C4'-P energy: -86.582 bonds (distance) P-C4' energy: -104.893 flat angles C4'-P-C4' energy: -88.318 flat angles P-C4'-P energy: -30.301 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -423.681358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.681358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.681358 (E_RNA) where: Base-Base interactions energy: -138.013 where: short stacking energy: -118.621 Base-Backbone interact. energy: -0.528 local terms energy: -285.140209 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -73.372 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: 8.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1827.398053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.398053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.398053 (E_RNA) where: Base-Base interactions energy: -1244.688 where: short stacking energy: -554.757 Base-Backbone interact. energy: -2.771 local terms energy: -579.939293 where: bonds (distance) C4'-P energy: -105.294 bonds (distance) P-C4' energy: -109.554 flat angles C4'-P-C4' energy: -117.533 flat angles P-C4'-P energy: -81.371 tors. eta vs tors. theta energy: -166.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1682.416415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.416415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.416415 (E_RNA) where: Base-Base interactions energy: -1153.317 where: short stacking energy: -502.789 Base-Backbone interact. energy: -1.211 local terms energy: -527.887765 where: bonds (distance) C4'-P energy: -100.247 bonds (distance) P-C4' energy: -102.705 flat angles C4'-P-C4' energy: -114.137 flat angles P-C4'-P energy: -65.378 tors. eta vs tors. theta energy: -145.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1601.618343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.618343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.618343 (E_RNA) where: Base-Base interactions energy: -1073.270 where: short stacking energy: -485.434 Base-Backbone interact. energy: 1.256 local terms energy: -529.604763 where: bonds (distance) C4'-P energy: -89.050 bonds (distance) P-C4' energy: -117.521 flat angles C4'-P-C4' energy: -113.180 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: -136.348 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: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1500.972258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.972258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.972258 (E_RNA) where: Base-Base interactions energy: -1028.713 where: short stacking energy: -426.467 Base-Backbone interact. energy: -2.443 local terms energy: -469.816643 where: bonds (distance) C4'-P energy: -92.486 bonds (distance) P-C4' energy: -94.775 flat angles C4'-P-C4' energy: -115.701 flat angles P-C4'-P energy: -52.944 tors. eta vs tors. theta energy: -113.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1382.620393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.620393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.620393 (E_RNA) where: Base-Base interactions energy: -903.930 where: short stacking energy: -409.637 Base-Backbone interact. energy: 2.792 local terms energy: -481.482809 where: bonds (distance) C4'-P energy: -108.272 bonds (distance) P-C4' energy: -90.655 flat angles C4'-P-C4' energy: -99.926 flat angles P-C4'-P energy: -75.073 tors. eta vs tors. theta energy: -107.556 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: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1281.257369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.257369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.257369 (E_RNA) where: Base-Base interactions energy: -849.444 where: short stacking energy: -371.402 Base-Backbone interact. energy: 0.917 local terms energy: -432.730491 where: bonds (distance) C4'-P energy: -90.439 bonds (distance) P-C4' energy: -97.044 flat angles C4'-P-C4' energy: -103.008 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -87.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -876.871730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.871730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.871730 (E_RNA) where: Base-Base interactions energy: -497.849 where: short stacking energy: -257.351 Base-Backbone interact. energy: -0.601 local terms energy: -378.420799 where: bonds (distance) C4'-P energy: -74.225 bonds (distance) P-C4' energy: -99.881 flat angles C4'-P-C4' energy: -98.899 flat angles P-C4'-P energy: -77.157 tors. eta vs tors. theta energy: -28.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -752.942315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.942315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.942315 (E_RNA) where: Base-Base interactions energy: -411.808 where: short stacking energy: -218.929 Base-Backbone interact. energy: -1.983 local terms energy: -339.151080 where: bonds (distance) C4'-P energy: -86.734 bonds (distance) P-C4' energy: -94.781 flat angles C4'-P-C4' energy: -77.002 flat angles P-C4'-P energy: -52.126 tors. eta vs tors. theta energy: -28.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -702.848310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.848310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.848310 (E_RNA) where: Base-Base interactions energy: -373.685 where: short stacking energy: -218.652 Base-Backbone interact. energy: -0.422 local terms energy: -328.741558 where: bonds (distance) C4'-P energy: -85.217 bonds (distance) P-C4' energy: -93.554 flat angles C4'-P-C4' energy: -92.840 flat angles P-C4'-P energy: -24.902 tors. eta vs tors. theta energy: -32.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -477.783135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.783135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.783135 (E_RNA) where: Base-Base interactions energy: -211.130 where: short stacking energy: -155.434 Base-Backbone interact. energy: -2.283 local terms energy: -264.369843 where: bonds (distance) C4'-P energy: -77.499 bonds (distance) P-C4' energy: -78.474 flat angles C4'-P-C4' energy: -78.965 flat angles P-C4'-P energy: -42.878 tors. eta vs tors. theta energy: 13.446 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: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1794.160844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.160844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.160844 (E_RNA) where: Base-Base interactions energy: -1211.321 where: short stacking energy: -553.480 Base-Backbone interact. energy: -0.749 local terms energy: -582.090598 where: bonds (distance) C4'-P energy: -108.836 bonds (distance) P-C4' energy: -107.881 flat angles C4'-P-C4' energy: -129.502 flat angles P-C4'-P energy: -84.970 tors. eta vs tors. theta energy: -150.903 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: 257 Temperature: 0.950000 Total energy: -1686.239025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.239025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.239025 (E_RNA) where: Base-Base interactions energy: -1130.986 where: short stacking energy: -486.680 Base-Backbone interact. energy: -2.530 local terms energy: -552.723028 where: bonds (distance) C4'-P energy: -111.787 bonds (distance) P-C4' energy: -108.764 flat angles C4'-P-C4' energy: -119.657 flat angles P-C4'-P energy: -75.553 tors. eta vs tors. theta energy: -136.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1580.745508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.745508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.745508 (E_RNA) where: Base-Base interactions energy: -1032.696 where: short stacking energy: -465.235 Base-Backbone interact. energy: -3.684 local terms energy: -544.364702 where: bonds (distance) C4'-P energy: -95.940 bonds (distance) P-C4' energy: -113.342 flat angles C4'-P-C4' energy: -123.086 flat angles P-C4'-P energy: -80.119 tors. eta vs tors. theta energy: -131.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1493.137681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.137681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.137681 (E_RNA) where: Base-Base interactions energy: -984.729 where: short stacking energy: -412.118 Base-Backbone interact. energy: -4.368 local terms energy: -504.040446 where: bonds (distance) C4'-P energy: -98.190 bonds (distance) P-C4' energy: -107.171 flat angles C4'-P-C4' energy: -104.840 flat angles P-C4'-P energy: -76.579 tors. eta vs tors. theta energy: -117.260 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: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1360.524871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.524871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.524871 (E_RNA) where: Base-Base interactions energy: -893.492 where: short stacking energy: -384.162 Base-Backbone interact. energy: -1.793 local terms energy: -465.239181 where: bonds (distance) C4'-P energy: -94.485 bonds (distance) P-C4' energy: -98.158 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -69.383 tors. eta vs tors. theta energy: -97.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1268.343106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.343106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.343106 (E_RNA) where: Base-Base interactions energy: -842.178 where: short stacking energy: -389.405 Base-Backbone interact. energy: 1.780 local terms energy: -427.945690 where: bonds (distance) C4'-P energy: -76.316 bonds (distance) P-C4' energy: -95.796 flat angles C4'-P-C4' energy: -101.106 flat angles P-C4'-P energy: -59.969 tors. eta vs tors. theta energy: -94.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -899.337213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.337213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.337213 (E_RNA) where: Base-Base interactions energy: -523.880 where: short stacking energy: -259.260 Base-Backbone interact. energy: -3.472 local terms energy: -371.985617 where: bonds (distance) C4'-P energy: -89.149 bonds (distance) P-C4' energy: -99.323 flat angles C4'-P-C4' energy: -73.821 flat angles P-C4'-P energy: -71.577 tors. eta vs tors. theta energy: -38.115 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: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -702.156008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.156008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.156008 (E_RNA) where: Base-Base interactions energy: -349.588 where: short stacking energy: -202.277 Base-Backbone interact. energy: -1.554 local terms energy: -351.013968 where: bonds (distance) C4'-P energy: -72.866 bonds (distance) P-C4' energy: -98.952 flat angles C4'-P-C4' energy: -98.074 flat angles P-C4'-P energy: -56.365 tors. eta vs tors. theta energy: -24.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -706.183207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.183207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.183207 (E_RNA) where: Base-Base interactions energy: -391.667 where: short stacking energy: -207.366 Base-Backbone interact. energy: -0.513 local terms energy: -314.003563 where: bonds (distance) C4'-P energy: -94.630 bonds (distance) P-C4' energy: -89.165 flat angles C4'-P-C4' energy: -74.572 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -506.354948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.354948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.354948 (E_RNA) where: Base-Base interactions energy: -194.489 where: short stacking energy: -136.640 Base-Backbone interact. energy: -2.568 local terms energy: -309.298359 where: bonds (distance) C4'-P energy: -87.993 bonds (distance) P-C4' energy: -106.137 flat angles C4'-P-C4' energy: -58.636 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: 5.506 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: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1830.973006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.973006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.973006 (E_RNA) where: Base-Base interactions energy: -1250.008 where: short stacking energy: -566.088 Base-Backbone interact. energy: -2.613 local terms energy: -578.351542 where: bonds (distance) C4'-P energy: -104.738 bonds (distance) P-C4' energy: -100.411 flat angles C4'-P-C4' energy: -138.436 flat angles P-C4'-P energy: -81.528 tors. eta vs tors. theta energy: -153.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1725.269676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.269676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.269676 (E_RNA) where: Base-Base interactions energy: -1170.992 where: short stacking energy: -518.668 Base-Backbone interact. energy: 0.818 local terms energy: -555.095836 where: bonds (distance) C4'-P energy: -101.488 bonds (distance) P-C4' energy: -114.726 flat angles C4'-P-C4' energy: -119.847 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -144.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1619.093868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.093868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.093868 (E_RNA) where: Base-Base interactions energy: -1072.851 where: short stacking energy: -499.480 Base-Backbone interact. energy: 2.275 local terms energy: -548.517826 where: bonds (distance) C4'-P energy: -106.486 bonds (distance) P-C4' energy: -99.590 flat angles C4'-P-C4' energy: -122.767 flat angles P-C4'-P energy: -78.698 tors. eta vs tors. theta energy: -140.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1488.341449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.341449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.341449 (E_RNA) where: Base-Base interactions energy: -995.349 where: short stacking energy: -437.859 Base-Backbone interact. energy: -4.632 local terms energy: -488.360963 where: bonds (distance) C4'-P energy: -97.484 bonds (distance) P-C4' energy: -99.041 flat angles C4'-P-C4' energy: -95.928 flat angles P-C4'-P energy: -79.682 tors. eta vs tors. theta energy: -116.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1304.730275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.730275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.730275 (E_RNA) where: Base-Base interactions energy: -832.544 where: short stacking energy: -384.548 Base-Backbone interact. energy: -0.233 local terms energy: -471.952588 where: bonds (distance) C4'-P energy: -95.355 bonds (distance) P-C4' energy: -100.769 flat angles C4'-P-C4' energy: -115.506 flat angles P-C4'-P energy: -70.808 tors. eta vs tors. theta energy: -89.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1310.631338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.631338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.631338 (E_RNA) where: Base-Base interactions energy: -850.045 where: short stacking energy: -395.117 Base-Backbone interact. energy: -0.727 local terms energy: -459.859840 where: bonds (distance) C4'-P energy: -83.572 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -107.639 flat angles P-C4'-P energy: -73.338 tors. eta vs tors. theta energy: -91.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -873.420475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.420475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.420475 (E_RNA) where: Base-Base interactions energy: -512.614 where: short stacking energy: -272.403 Base-Backbone interact. energy: -2.506 local terms energy: -358.300968 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -102.402 flat angles C4'-P-C4' energy: -83.945 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: -30.080 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: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -702.343192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.343192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.343192 (E_RNA) where: Base-Base interactions energy: -366.438 where: short stacking energy: -222.698 Base-Backbone interact. energy: 2.601 local terms energy: -338.506250 where: bonds (distance) C4'-P energy: -73.719 bonds (distance) P-C4' energy: -104.917 flat angles C4'-P-C4' energy: -84.427 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: -29.165 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: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -755.076856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.076856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.076856 (E_RNA) where: Base-Base interactions energy: -408.437 where: short stacking energy: -230.775 Base-Backbone interact. energy: 6.191 local terms energy: -352.830503 where: bonds (distance) C4'-P energy: -71.010 bonds (distance) P-C4' energy: -98.765 flat angles C4'-P-C4' energy: -100.747 flat angles P-C4'-P energy: -52.953 tors. eta vs tors. theta energy: -29.356 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: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -502.305834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.305834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.305834 (E_RNA) where: Base-Base interactions energy: -197.496 where: short stacking energy: -123.470 Base-Backbone interact. energy: -0.001 local terms energy: -304.809371 where: bonds (distance) C4'-P energy: -81.227 bonds (distance) P-C4' energy: -97.778 flat angles C4'-P-C4' energy: -93.511 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: 14.201 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: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1822.798349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.798349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.798349 (E_RNA) where: Base-Base interactions energy: -1232.332 where: short stacking energy: -541.619 Base-Backbone interact. energy: -4.275 local terms energy: -586.192102 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -108.584 flat angles C4'-P-C4' energy: -131.080 flat angles P-C4'-P energy: -82.490 tors. eta vs tors. theta energy: -157.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1693.455473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.455473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.455473 (E_RNA) where: Base-Base interactions energy: -1146.675 where: short stacking energy: -516.022 Base-Backbone interact. energy: -0.773 local terms energy: -546.007438 where: bonds (distance) C4'-P energy: -98.985 bonds (distance) P-C4' energy: -107.006 flat angles C4'-P-C4' energy: -124.062 flat angles P-C4'-P energy: -82.083 tors. eta vs tors. theta energy: -133.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1594.933798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.933798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.933798 (E_RNA) where: Base-Base interactions energy: -1069.066 where: short stacking energy: -485.640 Base-Backbone interact. energy: 0.165 local terms energy: -526.032133 where: bonds (distance) C4'-P energy: -110.998 bonds (distance) P-C4' energy: -97.954 flat angles C4'-P-C4' energy: -103.790 flat angles P-C4'-P energy: -77.492 tors. eta vs tors. theta energy: -135.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1503.572693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.572693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.572693 (E_RNA) where: Base-Base interactions energy: -1001.219 where: short stacking energy: -440.376 Base-Backbone interact. energy: -1.650 local terms energy: -500.703751 where: bonds (distance) C4'-P energy: -102.615 bonds (distance) P-C4' energy: -88.600 flat angles C4'-P-C4' energy: -112.400 flat angles P-C4'-P energy: -82.333 tors. eta vs tors. theta energy: -114.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1376.165157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.165157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.165157 (E_RNA) where: Base-Base interactions energy: -900.921 where: short stacking energy: -404.295 Base-Backbone interact. energy: 1.657 local terms energy: -476.900809 where: bonds (distance) C4'-P energy: -91.433 bonds (distance) P-C4' energy: -114.929 flat angles C4'-P-C4' energy: -115.235 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -92.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1224.284072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.284072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.284072 (E_RNA) where: Base-Base interactions energy: -770.015 where: short stacking energy: -356.973 Base-Backbone interact. energy: 1.096 local terms energy: -455.365478 where: bonds (distance) C4'-P energy: -95.465 bonds (distance) P-C4' energy: -106.119 flat angles C4'-P-C4' energy: -96.468 flat angles P-C4'-P energy: -64.021 tors. eta vs tors. theta energy: -93.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -862.348350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.348350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.348350 (E_RNA) where: Base-Base interactions energy: -511.712 where: short stacking energy: -256.833 Base-Backbone interact. energy: -0.943 local terms energy: -349.692982 where: bonds (distance) C4'-P energy: -77.301 bonds (distance) P-C4' energy: -89.131 flat angles C4'-P-C4' energy: -98.911 flat angles P-C4'-P energy: -50.264 tors. eta vs tors. theta energy: -34.087 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: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -776.006525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.006525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.006525 (E_RNA) where: Base-Base interactions energy: -429.894 where: short stacking energy: -220.418 Base-Backbone interact. energy: 0.375 local terms energy: -346.487099 where: bonds (distance) C4'-P energy: -93.233 bonds (distance) P-C4' energy: -95.394 flat angles C4'-P-C4' energy: -78.187 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -25.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -674.913190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.913190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.913190 (E_RNA) where: Base-Base interactions energy: -349.323 where: short stacking energy: -191.831 Base-Backbone interact. energy: -2.833 local terms energy: -322.756430 where: bonds (distance) C4'-P energy: -88.353 bonds (distance) P-C4' energy: -80.019 flat angles C4'-P-C4' energy: -98.412 flat angles P-C4'-P energy: -54.578 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -477.611967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.611967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.611967 (E_RNA) where: Base-Base interactions energy: -208.932 where: short stacking energy: -136.148 Base-Backbone interact. energy: 5.445 local terms energy: -274.124931 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -92.265 flat angles C4'-P-C4' energy: -83.368 flat angles P-C4'-P energy: -40.061 tors. eta vs tors. theta energy: 18.672 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: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1838.043062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.043062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.043062 (E_RNA) where: Base-Base interactions energy: -1246.009 where: short stacking energy: -538.570 Base-Backbone interact. energy: -6.964 local terms energy: -585.070371 where: bonds (distance) C4'-P energy: -97.166 bonds (distance) P-C4' energy: -114.504 flat angles C4'-P-C4' energy: -126.929 flat angles P-C4'-P energy: -93.906 tors. eta vs tors. theta energy: -152.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1693.140823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.140823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.140823 (E_RNA) where: Base-Base interactions energy: -1151.290 where: short stacking energy: -510.408 Base-Backbone interact. energy: 0.133 local terms energy: -541.983849 where: bonds (distance) C4'-P energy: -103.767 bonds (distance) P-C4' energy: -104.797 flat angles C4'-P-C4' energy: -126.093 flat angles P-C4'-P energy: -75.689 tors. eta vs tors. theta energy: -131.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1609.883483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.883483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.883483 (E_RNA) where: Base-Base interactions energy: -1072.145 where: short stacking energy: -497.317 Base-Backbone interact. energy: -1.127 local terms energy: -536.611979 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -98.864 flat angles C4'-P-C4' energy: -114.933 flat angles P-C4'-P energy: -75.310 tors. eta vs tors. theta energy: -140.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1464.856517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.856517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.856517 (E_RNA) where: Base-Base interactions energy: -958.515 where: short stacking energy: -388.919 Base-Backbone interact. energy: -2.289 local terms energy: -504.052754 where: bonds (distance) C4'-P energy: -93.180 bonds (distance) P-C4' energy: -112.731 flat angles C4'-P-C4' energy: -105.477 flat angles P-C4'-P energy: -79.132 tors. eta vs tors. theta energy: -113.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1344.631887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.631887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.631887 (E_RNA) where: Base-Base interactions energy: -885.303 where: short stacking energy: -417.062 Base-Backbone interact. energy: 0.214 local terms energy: -459.543357 where: bonds (distance) C4'-P energy: -96.385 bonds (distance) P-C4' energy: -90.822 flat angles C4'-P-C4' energy: -105.966 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -101.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1215.594908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.594908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.594908 (E_RNA) where: Base-Base interactions energy: -766.499 where: short stacking energy: -338.173 Base-Backbone interact. energy: -2.210 local terms energy: -446.886119 where: bonds (distance) C4'-P energy: -105.202 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -99.664 flat angles P-C4'-P energy: -69.017 tors. eta vs tors. theta energy: -77.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -892.658580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.658580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.658580 (E_RNA) where: Base-Base interactions energy: -512.698 where: short stacking energy: -272.244 Base-Backbone interact. energy: -1.235 local terms energy: -378.725785 where: bonds (distance) C4'-P energy: -75.973 bonds (distance) P-C4' energy: -102.271 flat angles C4'-P-C4' energy: -100.167 flat angles P-C4'-P energy: -53.074 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: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -785.721845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.721845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.721845 (E_RNA) where: Base-Base interactions energy: -454.390 where: short stacking energy: -238.961 Base-Backbone interact. energy: 5.593 local terms energy: -336.925038 where: bonds (distance) C4'-P energy: -67.059 bonds (distance) P-C4' energy: -98.107 flat angles C4'-P-C4' energy: -99.822 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -16.738 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: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -691.149381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.149381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.149381 (E_RNA) where: Base-Base interactions energy: -351.990 where: short stacking energy: -174.688 Base-Backbone interact. energy: -0.283 local terms energy: -338.875929 where: bonds (distance) C4'-P energy: -93.089 bonds (distance) P-C4' energy: -89.012 flat angles C4'-P-C4' energy: -86.864 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -19.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -475.122130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.122130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.122130 (E_RNA) where: Base-Base interactions energy: -184.487 where: short stacking energy: -123.723 Base-Backbone interact. energy: -0.774 local terms energy: -289.861321 where: bonds (distance) C4'-P energy: -90.151 bonds (distance) P-C4' energy: -98.571 flat angles C4'-P-C4' energy: -85.139 flat angles P-C4'-P energy: -48.486 tors. eta vs tors. theta energy: 32.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1833.564983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.564983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.564983 (E_RNA) where: Base-Base interactions energy: -1243.736 where: short stacking energy: -556.072 Base-Backbone interact. energy: -4.118 local terms energy: -585.711145 where: bonds (distance) C4'-P energy: -110.316 bonds (distance) P-C4' energy: -100.761 flat angles C4'-P-C4' energy: -125.287 flat angles P-C4'-P energy: -83.222 tors. eta vs tors. theta energy: -166.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1721.304813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.304813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.304813 (E_RNA) where: Base-Base interactions energy: -1162.078 where: short stacking energy: -524.613 Base-Backbone interact. energy: 1.607 local terms energy: -560.833580 where: bonds (distance) C4'-P energy: -104.626 bonds (distance) P-C4' energy: -99.702 flat angles C4'-P-C4' energy: -128.643 flat angles P-C4'-P energy: -87.856 tors. eta vs tors. theta energy: -140.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1592.457284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.457284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.457284 (E_RNA) where: Base-Base interactions energy: -1062.257 where: short stacking energy: -510.887 Base-Backbone interact. energy: -1.334 local terms energy: -528.865970 where: bonds (distance) C4'-P energy: -107.441 bonds (distance) P-C4' energy: -105.858 flat angles C4'-P-C4' energy: -110.721 flat angles P-C4'-P energy: -65.775 tors. eta vs tors. theta energy: -139.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1454.188696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.188696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.188696 (E_RNA) where: Base-Base interactions energy: -963.999 where: short stacking energy: -451.435 Base-Backbone interact. energy: -2.875 local terms energy: -487.314578 where: bonds (distance) C4'-P energy: -86.423 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -114.480 flat angles P-C4'-P energy: -75.873 tors. eta vs tors. theta energy: -114.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1296.895297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.895297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.895297 (E_RNA) where: Base-Base interactions energy: -814.048 where: short stacking energy: -387.674 Base-Backbone interact. energy: -0.942 local terms energy: -481.905668 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -107.783 flat angles C4'-P-C4' energy: -95.871 flat angles P-C4'-P energy: -76.749 tors. eta vs tors. theta energy: -100.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1198.797875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.797875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.797875 (E_RNA) where: Base-Base interactions energy: -769.346 where: short stacking energy: -349.145 Base-Backbone interact. energy: -0.675 local terms energy: -428.776646 where: bonds (distance) C4'-P energy: -97.498 bonds (distance) P-C4' energy: -105.944 flat angles C4'-P-C4' energy: -92.877 flat angles P-C4'-P energy: -59.127 tors. eta vs tors. theta energy: -73.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -910.002833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.002833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.002833 (E_RNA) where: Base-Base interactions energy: -510.665 where: short stacking energy: -261.205 Base-Backbone interact. energy: -2.898 local terms energy: -396.439758 where: bonds (distance) C4'-P energy: -97.635 bonds (distance) P-C4' energy: -89.546 flat angles C4'-P-C4' energy: -97.413 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -40.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -738.048936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.048936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.048936 (E_RNA) where: Base-Base interactions energy: -416.970 where: short stacking energy: -232.871 Base-Backbone interact. energy: -2.019 local terms energy: -319.059507 where: bonds (distance) C4'-P energy: -82.296 bonds (distance) P-C4' energy: -80.599 flat angles C4'-P-C4' energy: -88.185 flat angles P-C4'-P energy: -42.687 tors. eta vs tors. theta energy: -25.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -756.939479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.939479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.939479 (E_RNA) where: Base-Base interactions energy: -450.621 where: short stacking energy: -218.575 Base-Backbone interact. energy: 3.255 local terms energy: -309.573014 where: bonds (distance) C4'-P energy: -75.685 bonds (distance) P-C4' energy: -87.440 flat angles C4'-P-C4' energy: -85.791 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -13.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -512.396860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.396860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.396860 (E_RNA) where: Base-Base interactions energy: -212.411 where: short stacking energy: -143.213 Base-Backbone interact. energy: 5.722 local terms energy: -305.707577 where: bonds (distance) C4'-P energy: -99.176 bonds (distance) P-C4' energy: -92.080 flat angles C4'-P-C4' energy: -76.471 flat angles P-C4'-P energy: -46.958 tors. eta vs tors. theta energy: 8.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1852.667249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.667249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.667249 (E_RNA) where: Base-Base interactions energy: -1249.011 where: short stacking energy: -557.147 Base-Backbone interact. energy: -3.885 local terms energy: -599.770995 where: bonds (distance) C4'-P energy: -100.561 bonds (distance) P-C4' energy: -109.157 flat angles C4'-P-C4' energy: -122.774 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -173.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1722.203787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.203787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.203787 (E_RNA) where: Base-Base interactions energy: -1153.710 where: short stacking energy: -513.102 Base-Backbone interact. energy: -5.261 local terms energy: -563.232885 where: bonds (distance) C4'-P energy: -107.979 bonds (distance) P-C4' energy: -101.794 flat angles C4'-P-C4' energy: -116.844 flat angles P-C4'-P energy: -91.714 tors. eta vs tors. theta energy: -144.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1629.510691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.510691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.510691 (E_RNA) where: Base-Base interactions energy: -1099.771 where: short stacking energy: -514.868 Base-Backbone interact. energy: -3.729 local terms energy: -526.010218 where: bonds (distance) C4'-P energy: -99.409 bonds (distance) P-C4' energy: -103.206 flat angles C4'-P-C4' energy: -124.719 flat angles P-C4'-P energy: -68.286 tors. eta vs tors. theta energy: -130.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1453.967080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.967080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.967080 (E_RNA) where: Base-Base interactions energy: -956.609 where: short stacking energy: -455.864 Base-Backbone interact. energy: -0.930 local terms energy: -496.428492 where: bonds (distance) C4'-P energy: -100.637 bonds (distance) P-C4' energy: -100.316 flat angles C4'-P-C4' energy: -103.136 flat angles P-C4'-P energy: -69.007 tors. eta vs tors. theta energy: -123.333 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: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1336.560710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.560710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.560710 (E_RNA) where: Base-Base interactions energy: -848.743 where: short stacking energy: -385.247 Base-Backbone interact. energy: -0.675 local terms energy: -487.142187 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -104.430 flat angles C4'-P-C4' energy: -113.927 flat angles P-C4'-P energy: -70.362 tors. eta vs tors. theta energy: -103.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1224.419989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.419989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.419989 (E_RNA) where: Base-Base interactions energy: -759.071 where: short stacking energy: -350.070 Base-Backbone interact. energy: 1.194 local terms energy: -466.543172 where: bonds (distance) C4'-P energy: -90.921 bonds (distance) P-C4' energy: -100.792 flat angles C4'-P-C4' energy: -113.889 flat angles P-C4'-P energy: -74.810 tors. eta vs tors. theta energy: -86.131 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -893.376516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.376516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.376516 (E_RNA) where: Base-Base interactions energy: -535.542 where: short stacking energy: -269.897 Base-Backbone interact. energy: -0.911 local terms energy: -356.922918 where: bonds (distance) C4'-P energy: -81.797 bonds (distance) P-C4' energy: -98.158 flat angles C4'-P-C4' energy: -94.783 flat angles P-C4'-P energy: -47.171 tors. eta vs tors. theta energy: -35.014 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: 8, replica: 10 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -710.786841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.786841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.786841 (E_RNA) where: Base-Base interactions energy: -356.459 where: short stacking energy: -205.644 Base-Backbone interact. energy: 0.617 local terms energy: -354.945718 where: bonds (distance) C4'-P energy: -96.459 bonds (distance) P-C4' energy: -100.838 flat angles C4'-P-C4' energy: -82.770 flat angles P-C4'-P energy: -46.376 tors. eta vs tors. theta energy: -28.503 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: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -719.958469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.958469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.958469 (E_RNA) where: Base-Base interactions energy: -395.616 where: short stacking energy: -194.742 Base-Backbone interact. energy: -7.115 local terms energy: -317.227056 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -94.739 flat angles C4'-P-C4' energy: -82.323 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -433.034440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.034440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.034440 (E_RNA) where: Base-Base interactions energy: -153.604 where: short stacking energy: -126.013 Base-Backbone interact. energy: -0.397 local terms energy: -279.032945 where: bonds (distance) C4'-P energy: -78.141 bonds (distance) P-C4' energy: -89.615 flat angles C4'-P-C4' energy: -72.241 flat angles P-C4'-P energy: -56.053 tors. eta vs tors. theta energy: 17.017 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: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1814.026728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.026728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.026728 (E_RNA) where: Base-Base interactions energy: -1224.705 where: short stacking energy: -546.336 Base-Backbone interact. energy: -4.095 local terms energy: -585.226871 where: bonds (distance) C4'-P energy: -105.090 bonds (distance) P-C4' energy: -115.184 flat angles C4'-P-C4' energy: -124.860 flat angles P-C4'-P energy: -84.890 tors. eta vs tors. theta energy: -155.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1696.901376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.901376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.901376 (E_RNA) where: Base-Base interactions energy: -1146.635 where: short stacking energy: -513.894 Base-Backbone interact. energy: -1.615 local terms energy: -548.651866 where: bonds (distance) C4'-P energy: -96.143 bonds (distance) P-C4' energy: -101.509 flat angles C4'-P-C4' energy: -125.468 flat angles P-C4'-P energy: -87.279 tors. eta vs tors. theta energy: -138.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1604.035361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.035361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.035361 (E_RNA) where: Base-Base interactions energy: -1054.898 where: short stacking energy: -496.403 Base-Backbone interact. energy: -0.951 local terms energy: -548.186903 where: bonds (distance) C4'-P energy: -101.769 bonds (distance) P-C4' energy: -105.571 flat angles C4'-P-C4' energy: -126.862 flat angles P-C4'-P energy: -70.832 tors. eta vs tors. theta energy: -143.153 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: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1475.215825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.215825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.215825 (E_RNA) where: Base-Base interactions energy: -957.758 where: short stacking energy: -466.456 Base-Backbone interact. energy: -0.171 local terms energy: -517.286093 where: bonds (distance) C4'-P energy: -94.255 bonds (distance) P-C4' energy: -117.788 flat angles C4'-P-C4' energy: -111.061 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -130.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1300.983071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.983071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.983071 (E_RNA) where: Base-Base interactions energy: -859.309 where: short stacking energy: -376.027 Base-Backbone interact. energy: -3.437 local terms energy: -438.237031 where: bonds (distance) C4'-P energy: -90.102 bonds (distance) P-C4' energy: -101.009 flat angles C4'-P-C4' energy: -89.174 flat angles P-C4'-P energy: -67.492 tors. eta vs tors. theta energy: -90.460 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: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1203.771086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.771086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.771086 (E_RNA) where: Base-Base interactions energy: -761.125 where: short stacking energy: -371.633 Base-Backbone interact. energy: -2.995 local terms energy: -439.650485 where: bonds (distance) C4'-P energy: -90.629 bonds (distance) P-C4' energy: -121.668 flat angles C4'-P-C4' energy: -88.286 flat angles P-C4'-P energy: -56.015 tors. eta vs tors. theta energy: -83.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -893.728095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.728095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.728095 (E_RNA) where: Base-Base interactions energy: -506.267 where: short stacking energy: -247.042 Base-Backbone interact. energy: -2.398 local terms energy: -385.062785 where: bonds (distance) C4'-P energy: -83.433 bonds (distance) P-C4' energy: -94.338 flat angles C4'-P-C4' energy: -98.525 flat angles P-C4'-P energy: -69.542 tors. eta vs tors. theta energy: -39.224 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: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -784.816902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.816902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.816902 (E_RNA) where: Base-Base interactions energy: -427.449 where: short stacking energy: -222.595 Base-Backbone interact. energy: -3.616 local terms energy: -353.751499 where: bonds (distance) C4'-P energy: -87.988 bonds (distance) P-C4' energy: -108.079 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -61.888 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: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -668.905623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.905623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.905623 (E_RNA) where: Base-Base interactions energy: -349.907 where: short stacking energy: -200.646 Base-Backbone interact. energy: 1.373 local terms energy: -320.371190 where: bonds (distance) C4'-P energy: -87.832 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -85.203 flat angles P-C4'-P energy: -53.618 tors. eta vs tors. theta energy: -18.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -427.424309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.424309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.424309 (E_RNA) where: Base-Base interactions energy: -150.065 where: short stacking energy: -114.958 Base-Backbone interact. energy: 2.355 local terms energy: -279.714748 where: bonds (distance) C4'-P energy: -90.290 bonds (distance) P-C4' energy: -73.500 flat angles C4'-P-C4' energy: -84.634 flat angles P-C4'-P energy: -46.224 tors. eta vs tors. theta energy: 14.934 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: 264 Temperature: 0.900000 Total energy: -1822.929996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.929996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.929996 (E_RNA) where: Base-Base interactions energy: -1237.865 where: short stacking energy: -562.922 Base-Backbone interact. energy: -4.209 local terms energy: -580.856225 where: bonds (distance) C4'-P energy: -105.912 bonds (distance) P-C4' energy: -112.792 flat angles C4'-P-C4' energy: -121.777 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -160.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1709.430270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.430270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.430270 (E_RNA) where: Base-Base interactions energy: -1153.641 where: short stacking energy: -521.104 Base-Backbone interact. energy: -2.849 local terms energy: -552.940105 where: bonds (distance) C4'-P energy: -111.170 bonds (distance) P-C4' energy: -110.469 flat angles C4'-P-C4' energy: -110.515 flat angles P-C4'-P energy: -81.884 tors. eta vs tors. theta energy: -138.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1593.608722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.608722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.608722 (E_RNA) where: Base-Base interactions energy: -1062.219 where: short stacking energy: -482.982 Base-Backbone interact. energy: -2.141 local terms energy: -529.249305 where: bonds (distance) C4'-P energy: -95.471 bonds (distance) P-C4' energy: -112.075 flat angles C4'-P-C4' energy: -107.025 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: -140.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1446.675020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.675020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.675020 (E_RNA) where: Base-Base interactions energy: -939.191 where: short stacking energy: -405.247 Base-Backbone interact. energy: -3.209 local terms energy: -504.274603 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -99.822 flat angles C4'-P-C4' energy: -104.799 flat angles P-C4'-P energy: -67.923 tors. eta vs tors. theta energy: -122.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1279.940566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.940566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.940566 (E_RNA) where: Base-Base interactions energy: -826.106 where: short stacking energy: -359.001 Base-Backbone interact. energy: 2.143 local terms energy: -455.977661 where: bonds (distance) C4'-P energy: -109.025 bonds (distance) P-C4' energy: -98.411 flat angles C4'-P-C4' energy: -98.790 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -78.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1283.360121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.360121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.360121 (E_RNA) where: Base-Base interactions energy: -841.405 where: short stacking energy: -378.701 Base-Backbone interact. energy: -2.531 local terms energy: -439.423932 where: bonds (distance) C4'-P energy: -99.962 bonds (distance) P-C4' energy: -101.982 flat angles C4'-P-C4' energy: -94.508 flat angles P-C4'-P energy: -50.656 tors. eta vs tors. theta energy: -92.316 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: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -919.961158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.961158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.961158 (E_RNA) where: Base-Base interactions energy: -537.114 where: short stacking energy: -261.781 Base-Backbone interact. energy: -1.524 local terms energy: -381.323445 where: bonds (distance) C4'-P energy: -94.050 bonds (distance) P-C4' energy: -99.922 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -73.817 tors. eta vs tors. theta energy: -40.054 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: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -764.319236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.319236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.319236 (E_RNA) where: Base-Base interactions energy: -412.388 where: short stacking energy: -214.906 Base-Backbone interact. energy: -1.680 local terms energy: -350.251353 where: bonds (distance) C4'-P energy: -87.513 bonds (distance) P-C4' energy: -94.075 flat angles C4'-P-C4' energy: -95.566 flat angles P-C4'-P energy: -64.561 tors. eta vs tors. theta energy: -8.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -712.261595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.261595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.261595 (E_RNA) where: Base-Base interactions energy: -344.036 where: short stacking energy: -174.835 Base-Backbone interact. energy: 2.195 local terms energy: -370.421223 where: bonds (distance) C4'-P energy: -98.220 bonds (distance) P-C4' energy: -100.363 flat angles C4'-P-C4' energy: -86.565 flat angles P-C4'-P energy: -64.208 tors. eta vs tors. theta energy: -21.066 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: 264 Temperature: 1.350000 Total energy: -426.017688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.017688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.017688 (E_RNA) where: Base-Base interactions energy: -120.596 where: short stacking energy: -112.045 Base-Backbone interact. energy: 1.650 local terms energy: -307.072455 where: bonds (distance) C4'-P energy: -96.828 bonds (distance) P-C4' energy: -94.656 flat angles C4'-P-C4' energy: -70.303 flat angles P-C4'-P energy: -59.445 tors. eta vs tors. theta energy: 14.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1839.021858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.021858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.021858 (E_RNA) where: Base-Base interactions energy: -1245.614 where: short stacking energy: -564.879 Base-Backbone interact. energy: -3.213 local terms energy: -590.194707 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -105.913 flat angles C4'-P-C4' energy: -123.954 flat angles P-C4'-P energy: -90.420 tors. eta vs tors. theta energy: -168.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1678.207086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.207086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.207086 (E_RNA) where: Base-Base interactions energy: -1120.118 where: short stacking energy: -528.083 Base-Backbone interact. energy: -4.672 local terms energy: -553.417428 where: bonds (distance) C4'-P energy: -109.635 bonds (distance) P-C4' energy: -114.302 flat angles C4'-P-C4' energy: -116.051 flat angles P-C4'-P energy: -78.533 tors. eta vs tors. theta energy: -134.897 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: 3, replica: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1576.959860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.959860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.959860 (E_RNA) where: Base-Base interactions energy: -1044.430 where: short stacking energy: -482.309 Base-Backbone interact. energy: 3.455 local terms energy: -535.984322 where: bonds (distance) C4'-P energy: -96.338 bonds (distance) P-C4' energy: -110.806 flat angles C4'-P-C4' energy: -132.465 flat angles P-C4'-P energy: -63.440 tors. eta vs tors. theta energy: -132.935 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: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1459.314209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.314209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.314209 (E_RNA) where: Base-Base interactions energy: -952.297 where: short stacking energy: -452.863 Base-Backbone interact. energy: -2.570 local terms energy: -504.447567 where: bonds (distance) C4'-P energy: -97.149 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -122.209 flat angles P-C4'-P energy: -65.285 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: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1267.797478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.797478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.797478 (E_RNA) where: Base-Base interactions energy: -800.711 where: short stacking energy: -362.210 Base-Backbone interact. energy: -1.762 local terms energy: -465.324888 where: bonds (distance) C4'-P energy: -81.977 bonds (distance) P-C4' energy: -95.020 flat angles C4'-P-C4' energy: -112.196 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -103.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1263.179066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.179066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.179066 (E_RNA) where: Base-Base interactions energy: -821.769 where: short stacking energy: -371.186 Base-Backbone interact. energy: 0.528 local terms energy: -441.938873 where: bonds (distance) C4'-P energy: -82.083 bonds (distance) P-C4' energy: -100.738 flat angles C4'-P-C4' energy: -104.352 flat angles P-C4'-P energy: -70.052 tors. eta vs tors. theta energy: -84.714 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: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -958.411344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.411344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.411344 (E_RNA) where: Base-Base interactions energy: -558.155 where: short stacking energy: -254.452 Base-Backbone interact. energy: 0.225 local terms energy: -400.481347 where: bonds (distance) C4'-P energy: -92.449 bonds (distance) P-C4' energy: -108.938 flat angles C4'-P-C4' energy: -91.528 flat angles P-C4'-P energy: -67.261 tors. eta vs tors. theta energy: -40.305 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: 265 Temperature: 1.250000 Total energy: -821.333216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.333216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.333216 (E_RNA) where: Base-Base interactions energy: -449.286 where: short stacking energy: -239.214 Base-Backbone interact. energy: 3.710 local terms energy: -375.757865 where: bonds (distance) C4'-P energy: -99.958 bonds (distance) P-C4' energy: -85.179 flat angles C4'-P-C4' energy: -101.339 flat angles P-C4'-P energy: -51.566 tors. eta vs tors. theta energy: -37.715 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: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -629.349349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.349349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.349349 (E_RNA) where: Base-Base interactions energy: -335.253 where: short stacking energy: -192.543 Base-Backbone interact. energy: 1.573 local terms energy: -295.670233 where: bonds (distance) C4'-P energy: -100.293 bonds (distance) P-C4' energy: -64.954 flat angles C4'-P-C4' energy: -77.530 flat angles P-C4'-P energy: -48.724 tors. eta vs tors. theta energy: -4.168 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: 265 Temperature: 1.350000 Total energy: -446.905504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.905504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.905504 (E_RNA) where: Base-Base interactions energy: -153.655 where: short stacking energy: -120.758 Base-Backbone interact. energy: 0.974 local terms energy: -294.224212 where: bonds (distance) C4'-P energy: -83.047 bonds (distance) P-C4' energy: -101.205 flat angles C4'-P-C4' energy: -81.165 flat angles P-C4'-P energy: -41.168 tors. eta vs tors. theta energy: 12.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1801.613860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.613860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.613860 (E_RNA) where: Base-Base interactions energy: -1207.900 where: short stacking energy: -563.478 Base-Backbone interact. energy: -2.251 local terms energy: -591.462200 where: bonds (distance) C4'-P energy: -111.555 bonds (distance) P-C4' energy: -109.013 flat angles C4'-P-C4' energy: -124.862 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -162.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1684.416099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.416099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.416099 (E_RNA) where: Base-Base interactions energy: -1123.891 where: short stacking energy: -512.251 Base-Backbone interact. energy: -2.940 local terms energy: -557.585006 where: bonds (distance) C4'-P energy: -102.284 bonds (distance) P-C4' energy: -107.292 flat angles C4'-P-C4' energy: -117.661 flat angles P-C4'-P energy: -82.252 tors. eta vs tors. theta energy: -148.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1585.539730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.539730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.539730 (E_RNA) where: Base-Base interactions energy: -1054.135 where: short stacking energy: -488.419 Base-Backbone interact. energy: -0.664 local terms energy: -530.741196 where: bonds (distance) C4'-P energy: -82.781 bonds (distance) P-C4' energy: -100.681 flat angles C4'-P-C4' energy: -120.963 flat angles P-C4'-P energy: -83.239 tors. eta vs tors. theta energy: -143.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1440.094889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.094889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.094889 (E_RNA) where: Base-Base interactions energy: -962.367 where: short stacking energy: -411.216 Base-Backbone interact. energy: -1.924 local terms energy: -475.804025 where: bonds (distance) C4'-P energy: -96.646 bonds (distance) P-C4' energy: -114.798 flat angles C4'-P-C4' energy: -111.179 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -95.154 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: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1298.283400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.283400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.283400 (E_RNA) where: Base-Base interactions energy: -838.384 where: short stacking energy: -416.192 Base-Backbone interact. energy: -3.557 local terms energy: -456.343026 where: bonds (distance) C4'-P energy: -100.671 bonds (distance) P-C4' energy: -94.915 flat angles C4'-P-C4' energy: -109.052 flat angles P-C4'-P energy: -53.693 tors. eta vs tors. theta energy: -98.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1260.421128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.421128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.421128 (E_RNA) where: Base-Base interactions energy: -799.666 where: short stacking energy: -351.021 Base-Backbone interact. energy: -1.202 local terms energy: -459.552368 where: bonds (distance) C4'-P energy: -108.733 bonds (distance) P-C4' energy: -91.033 flat angles C4'-P-C4' energy: -107.507 flat angles P-C4'-P energy: -58.745 tors. eta vs tors. theta energy: -93.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -957.459187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.459187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.459187 (E_RNA) where: Base-Base interactions energy: -572.512 where: short stacking energy: -260.480 Base-Backbone interact. energy: 1.273 local terms energy: -386.219631 where: bonds (distance) C4'-P energy: -91.210 bonds (distance) P-C4' energy: -88.674 flat angles C4'-P-C4' energy: -103.484 flat angles P-C4'-P energy: -54.115 tors. eta vs tors. theta energy: -48.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -776.114304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.114304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.114304 (E_RNA) where: Base-Base interactions energy: -431.205 where: short stacking energy: -251.108 Base-Backbone interact. energy: 0.818 local terms energy: -345.728008 where: bonds (distance) C4'-P energy: -79.657 bonds (distance) P-C4' energy: -89.207 flat angles C4'-P-C4' energy: -79.380 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -46.718 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: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -681.739265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.739265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.739265 (E_RNA) where: Base-Base interactions energy: -383.454 where: short stacking energy: -203.128 Base-Backbone interact. energy: -1.698 local terms energy: -296.587161 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -84.872 flat angles C4'-P-C4' energy: -85.442 flat angles P-C4'-P energy: -34.660 tors. eta vs tors. theta energy: -17.481 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: 266 Temperature: 1.350000 Total energy: -440.293654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.293654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.293654 (E_RNA) where: Base-Base interactions energy: -160.470 where: short stacking energy: -103.705 Base-Backbone interact. energy: -0.127 local terms energy: -279.696506 where: bonds (distance) C4'-P energy: -96.100 bonds (distance) P-C4' energy: -83.329 flat angles C4'-P-C4' energy: -76.594 flat angles P-C4'-P energy: -54.482 tors. eta vs tors. theta energy: 30.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1828.621915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.621915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.621915 (E_RNA) where: Base-Base interactions energy: -1210.002 where: short stacking energy: -564.272 Base-Backbone interact. energy: -3.016 local terms energy: -615.604590 where: bonds (distance) C4'-P energy: -117.603 bonds (distance) P-C4' energy: -118.886 flat angles C4'-P-C4' energy: -127.780 flat angles P-C4'-P energy: -83.130 tors. eta vs tors. theta energy: -168.205 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: 267 Temperature: 0.950000 Total energy: -1678.865187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.865187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.865187 (E_RNA) where: Base-Base interactions energy: -1133.411 where: short stacking energy: -506.541 Base-Backbone interact. energy: -3.898 local terms energy: -541.556756 where: bonds (distance) C4'-P energy: -109.830 bonds (distance) P-C4' energy: -94.074 flat angles C4'-P-C4' energy: -109.168 flat angles P-C4'-P energy: -79.388 tors. eta vs tors. theta energy: -149.097 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: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1596.074701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.074701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.074701 (E_RNA) where: Base-Base interactions energy: -1057.048 where: short stacking energy: -503.058 Base-Backbone interact. energy: -3.720 local terms energy: -535.306773 where: bonds (distance) C4'-P energy: -93.325 bonds (distance) P-C4' energy: -101.319 flat angles C4'-P-C4' energy: -124.311 flat angles P-C4'-P energy: -78.838 tors. eta vs tors. theta energy: -137.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1365.073393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.073393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.073393 (E_RNA) where: Base-Base interactions energy: -891.537 where: short stacking energy: -416.674 Base-Backbone interact. energy: -1.996 local terms energy: -471.541115 where: bonds (distance) C4'-P energy: -93.731 bonds (distance) P-C4' energy: -92.802 flat angles C4'-P-C4' energy: -108.962 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: -102.133 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: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1364.173494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.173494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.173494 (E_RNA) where: Base-Base interactions energy: -901.168 where: short stacking energy: -389.716 Base-Backbone interact. energy: -3.994 local terms energy: -459.012278 where: bonds (distance) C4'-P energy: -94.907 bonds (distance) P-C4' energy: -96.632 flat angles C4'-P-C4' energy: -96.267 flat angles P-C4'-P energy: -57.959 tors. eta vs tors. theta energy: -113.248 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: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1273.439098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.439098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.439098 (E_RNA) where: Base-Base interactions energy: -840.467 where: short stacking energy: -400.426 Base-Backbone interact. energy: -2.456 local terms energy: -430.515905 where: bonds (distance) C4'-P energy: -99.892 bonds (distance) P-C4' energy: -92.210 flat angles C4'-P-C4' energy: -86.123 flat angles P-C4'-P energy: -68.483 tors. eta vs tors. theta energy: -83.808 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: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -938.754344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.754344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.754344 (E_RNA) where: Base-Base interactions energy: -581.555 where: short stacking energy: -285.244 Base-Backbone interact. energy: 0.046 local terms energy: -357.245416 where: bonds (distance) C4'-P energy: -76.197 bonds (distance) P-C4' energy: -99.726 flat angles C4'-P-C4' energy: -89.433 flat angles P-C4'-P energy: -51.700 tors. eta vs tors. theta energy: -40.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -784.645827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.645827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.645827 (E_RNA) where: Base-Base interactions energy: -468.448 where: short stacking energy: -208.772 Base-Backbone interact. energy: 2.446 local terms energy: -318.644194 where: bonds (distance) C4'-P energy: -84.383 bonds (distance) P-C4' energy: -81.882 flat angles C4'-P-C4' energy: -93.844 flat angles P-C4'-P energy: -48.019 tors. eta vs tors. theta energy: -10.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -694.182492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.182492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.182492 (E_RNA) where: Base-Base interactions energy: -392.465 where: short stacking energy: -197.363 Base-Backbone interact. energy: 0.090 local terms energy: -301.807622 where: bonds (distance) C4'-P energy: -79.295 bonds (distance) P-C4' energy: -95.962 flat angles C4'-P-C4' energy: -71.243 flat angles P-C4'-P energy: -43.745 tors. eta vs tors. theta energy: -11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -438.557835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.557835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.557835 (E_RNA) where: Base-Base interactions energy: -178.178 where: short stacking energy: -120.795 Base-Backbone interact. energy: -3.575 local terms energy: -256.804264 where: bonds (distance) C4'-P energy: -93.852 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -65.815 flat angles P-C4'-P energy: -35.318 tors. eta vs tors. theta energy: 27.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1810.042643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.042643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.042643 (E_RNA) where: Base-Base interactions energy: -1223.269 where: short stacking energy: -554.902 Base-Backbone interact. energy: -3.677 local terms energy: -583.096378 where: bonds (distance) C4'-P energy: -108.357 bonds (distance) P-C4' energy: -112.553 flat angles C4'-P-C4' energy: -113.980 flat angles P-C4'-P energy: -86.684 tors. eta vs tors. theta energy: -161.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1694.763263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.763263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.763263 (E_RNA) where: Base-Base interactions energy: -1148.429 where: short stacking energy: -506.647 Base-Backbone interact. energy: -4.054 local terms energy: -542.280001 where: bonds (distance) C4'-P energy: -107.465 bonds (distance) P-C4' energy: -113.082 flat angles C4'-P-C4' energy: -118.063 flat angles P-C4'-P energy: -73.271 tors. eta vs tors. theta energy: -130.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1625.686685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.686685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.686685 (E_RNA) where: Base-Base interactions energy: -1108.087 where: short stacking energy: -502.860 Base-Backbone interact. energy: 0.107 local terms energy: -517.707196 where: bonds (distance) C4'-P energy: -83.430 bonds (distance) P-C4' energy: -98.009 flat angles C4'-P-C4' energy: -115.682 flat angles P-C4'-P energy: -71.794 tors. eta vs tors. theta energy: -148.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1362.799283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.799283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.799283 (E_RNA) where: Base-Base interactions energy: -867.786 where: short stacking energy: -438.067 Base-Backbone interact. energy: -1.172 local terms energy: -493.841234 where: bonds (distance) C4'-P energy: -100.998 bonds (distance) P-C4' energy: -97.222 flat angles C4'-P-C4' energy: -107.430 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -124.252 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: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1369.478901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.478901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.478901 (E_RNA) where: Base-Base interactions energy: -904.358 where: short stacking energy: -398.640 Base-Backbone interact. energy: 2.064 local terms energy: -467.184535 where: bonds (distance) C4'-P energy: -88.099 bonds (distance) P-C4' energy: -106.572 flat angles C4'-P-C4' energy: -104.189 flat angles P-C4'-P energy: -68.190 tors. eta vs tors. theta energy: -100.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1281.582933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.582933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.582933 (E_RNA) where: Base-Base interactions energy: -824.507 where: short stacking energy: -390.060 Base-Backbone interact. energy: 4.256 local terms energy: -461.332633 where: bonds (distance) C4'-P energy: -96.554 bonds (distance) P-C4' energy: -105.141 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -68.960 tors. eta vs tors. theta energy: -90.315 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: 268 Temperature: 1.200000 Total energy: -962.927220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.927220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.927220 (E_RNA) where: Base-Base interactions energy: -580.279 where: short stacking energy: -270.981 Base-Backbone interact. energy: -0.417 local terms energy: -382.231338 where: bonds (distance) C4'-P energy: -102.259 bonds (distance) P-C4' energy: -98.151 flat angles C4'-P-C4' energy: -83.007 flat angles P-C4'-P energy: -70.455 tors. eta vs tors. theta energy: -28.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -773.924930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.924930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.924930 (E_RNA) where: Base-Base interactions energy: -421.463 where: short stacking energy: -219.593 Base-Backbone interact. energy: -1.687 local terms energy: -350.775180 where: bonds (distance) C4'-P energy: -86.132 bonds (distance) P-C4' energy: -98.557 flat angles C4'-P-C4' energy: -96.434 flat angles P-C4'-P energy: -48.237 tors. eta vs tors. theta energy: -21.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -596.056851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.056851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.056851 (E_RNA) where: Base-Base interactions energy: -299.611 where: short stacking energy: -158.288 Base-Backbone interact. energy: -1.548 local terms energy: -294.897821 where: bonds (distance) C4'-P energy: -80.504 bonds (distance) P-C4' energy: -96.600 flat angles C4'-P-C4' energy: -67.766 flat angles P-C4'-P energy: -58.130 tors. eta vs tors. theta energy: 8.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -442.255423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.255423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.255423 (E_RNA) where: Base-Base interactions energy: -155.873 where: short stacking energy: -111.210 Base-Backbone interact. energy: 0.099 local terms energy: -286.480821 where: bonds (distance) C4'-P energy: -108.199 bonds (distance) P-C4' energy: -97.233 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -41.452 tors. eta vs tors. theta energy: 25.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1808.082660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.082660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.082660 (E_RNA) where: Base-Base interactions energy: -1227.811 where: short stacking energy: -551.600 Base-Backbone interact. energy: -2.183 local terms energy: -578.088580 where: bonds (distance) C4'-P energy: -114.028 bonds (distance) P-C4' energy: -107.615 flat angles C4'-P-C4' energy: -122.512 flat angles P-C4'-P energy: -76.711 tors. eta vs tors. theta energy: -157.222 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: 269 Temperature: 0.950000 Total energy: -1697.559526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.559526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.559526 (E_RNA) where: Base-Base interactions energy: -1147.873 where: short stacking energy: -495.564 Base-Backbone interact. energy: -0.533 local terms energy: -549.153460 where: bonds (distance) C4'-P energy: -100.753 bonds (distance) P-C4' energy: -108.239 flat angles C4'-P-C4' energy: -119.057 flat angles P-C4'-P energy: -78.557 tors. eta vs tors. theta energy: -142.547 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: 269 Temperature: 1.000000 Total energy: -1629.290855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.290855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.290855 (E_RNA) where: Base-Base interactions energy: -1086.014 where: short stacking energy: -508.633 Base-Backbone interact. energy: -4.544 local terms energy: -538.732665 where: bonds (distance) C4'-P energy: -88.296 bonds (distance) P-C4' energy: -119.533 flat angles C4'-P-C4' energy: -115.106 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: -142.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1368.129164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.129164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.129164 (E_RNA) where: Base-Base interactions energy: -866.690 where: short stacking energy: -399.356 Base-Backbone interact. energy: -0.994 local terms energy: -500.444975 where: bonds (distance) C4'-P energy: -102.205 bonds (distance) P-C4' energy: -110.650 flat angles C4'-P-C4' energy: -100.760 flat angles P-C4'-P energy: -80.440 tors. eta vs tors. theta energy: -106.391 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: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1363.328184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.328184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.328184 (E_RNA) where: Base-Base interactions energy: -890.595 where: short stacking energy: -389.777 Base-Backbone interact. energy: -1.669 local terms energy: -471.064456 where: bonds (distance) C4'-P energy: -91.716 bonds (distance) P-C4' energy: -100.440 flat angles C4'-P-C4' energy: -109.993 flat angles P-C4'-P energy: -77.058 tors. eta vs tors. theta energy: -91.858 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: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1264.245023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.245023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.245023 (E_RNA) where: Base-Base interactions energy: -833.866 where: short stacking energy: -373.782 Base-Backbone interact. energy: 0.858 local terms energy: -431.237087 where: bonds (distance) C4'-P energy: -81.431 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -97.733 flat angles P-C4'-P energy: -61.330 tors. eta vs tors. theta energy: -90.299 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: 269 Temperature: 1.200000 Total energy: -930.619552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.619552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.619552 (E_RNA) where: Base-Base interactions energy: -520.702 where: short stacking energy: -257.896 Base-Backbone interact. energy: -2.460 local terms energy: -407.457464 where: bonds (distance) C4'-P energy: -98.642 bonds (distance) P-C4' energy: -109.556 flat angles C4'-P-C4' energy: -101.692 flat angles P-C4'-P energy: -62.726 tors. eta vs tors. theta energy: -34.842 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: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -768.917465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.917465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.917465 (E_RNA) where: Base-Base interactions energy: -421.983 where: short stacking energy: -199.162 Base-Backbone interact. energy: 0.840 local terms energy: -347.774864 where: bonds (distance) C4'-P energy: -92.876 bonds (distance) P-C4' energy: -101.207 flat angles C4'-P-C4' energy: -82.128 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -22.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -567.705600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.705600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.705600 (E_RNA) where: Base-Base interactions energy: -222.230 where: short stacking energy: -140.431 Base-Backbone interact. energy: -0.656 local terms energy: -344.819009 where: bonds (distance) C4'-P energy: -108.630 bonds (distance) P-C4' energy: -97.983 flat angles C4'-P-C4' energy: -85.634 flat angles P-C4'-P energy: -53.762 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: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -423.064408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.064408 (E_RNA) where: Base-Base interactions energy: -153.886 where: short stacking energy: -128.705 Base-Backbone interact. energy: -1.017 local terms energy: -268.160769 where: bonds (distance) C4'-P energy: -82.396 bonds (distance) P-C4' energy: -93.158 flat angles C4'-P-C4' energy: -66.086 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: 12.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1802.327612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.327612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.327612 (E_RNA) where: Base-Base interactions energy: -1214.487 where: short stacking energy: -544.333 Base-Backbone interact. energy: -3.940 local terms energy: -583.900459 where: bonds (distance) C4'-P energy: -104.194 bonds (distance) P-C4' energy: -111.711 flat angles C4'-P-C4' energy: -124.191 flat angles P-C4'-P energy: -89.353 tors. eta vs tors. theta energy: -154.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1730.997823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.997823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.997823 (E_RNA) where: Base-Base interactions energy: -1152.358 where: short stacking energy: -545.722 Base-Backbone interact. energy: -1.054 local terms energy: -577.585608 where: bonds (distance) C4'-P energy: -115.634 bonds (distance) P-C4' energy: -115.718 flat angles C4'-P-C4' energy: -116.051 flat angles P-C4'-P energy: -75.424 tors. eta vs tors. theta energy: -154.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1618.615290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.615290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.615290 (E_RNA) where: Base-Base interactions energy: -1089.261 where: short stacking energy: -519.248 Base-Backbone interact. energy: -1.144 local terms energy: -528.210048 where: bonds (distance) C4'-P energy: -85.620 bonds (distance) P-C4' energy: -105.434 flat angles C4'-P-C4' energy: -121.595 flat angles P-C4'-P energy: -72.258 tors. eta vs tors. theta energy: -143.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1351.272556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.272556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.272556 (E_RNA) where: Base-Base interactions energy: -859.984 where: short stacking energy: -416.572 Base-Backbone interact. energy: -1.529 local terms energy: -489.759309 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -108.159 flat angles C4'-P-C4' energy: -117.823 flat angles P-C4'-P energy: -67.378 tors. eta vs tors. theta energy: -111.118 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: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1372.837782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.837782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.837782 (E_RNA) where: Base-Base interactions energy: -911.182 where: short stacking energy: -419.971 Base-Backbone interact. energy: -1.855 local terms energy: -459.800779 where: bonds (distance) C4'-P energy: -91.217 bonds (distance) P-C4' energy: -101.170 flat angles C4'-P-C4' energy: -103.503 flat angles P-C4'-P energy: -65.259 tors. eta vs tors. theta energy: -98.651 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: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1268.767696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.767696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.767696 (E_RNA) where: Base-Base interactions energy: -821.989 where: short stacking energy: -381.654 Base-Backbone interact. energy: -3.174 local terms energy: -443.604454 where: bonds (distance) C4'-P energy: -90.594 bonds (distance) P-C4' energy: -113.897 flat angles C4'-P-C4' energy: -92.297 flat angles P-C4'-P energy: -58.446 tors. eta vs tors. theta energy: -88.369 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: 270 Temperature: 1.200000 Total energy: -960.119762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.119762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.119762 (E_RNA) where: Base-Base interactions energy: -572.172 where: short stacking energy: -268.687 Base-Backbone interact. energy: 0.535 local terms energy: -388.482557 where: bonds (distance) C4'-P energy: -93.647 bonds (distance) P-C4' energy: -111.673 flat angles C4'-P-C4' energy: -91.762 flat angles P-C4'-P energy: -55.077 tors. eta vs tors. theta energy: -36.322 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: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -840.195648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.195648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.195648 (E_RNA) where: Base-Base interactions energy: -491.735 where: short stacking energy: -235.464 Base-Backbone interact. energy: -1.616 local terms energy: -346.843866 where: bonds (distance) C4'-P energy: -95.874 bonds (distance) P-C4' energy: -100.876 flat angles C4'-P-C4' energy: -87.323 flat angles P-C4'-P energy: -29.792 tors. eta vs tors. theta energy: -32.978 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: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -578.236134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.236134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.236134 (E_RNA) where: Base-Base interactions energy: -284.099 where: short stacking energy: -164.539 Base-Backbone interact. energy: 0.472 local terms energy: -294.608456 where: bonds (distance) C4'-P energy: -78.051 bonds (distance) P-C4' energy: -90.474 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -63.071 tors. eta vs tors. theta energy: 3.848 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: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -419.197189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.197189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.197189 (E_RNA) where: Base-Base interactions energy: -154.467 where: short stacking energy: -135.962 Base-Backbone interact. energy: 5.098 local terms energy: -269.827429 where: bonds (distance) C4'-P energy: -83.606 bonds (distance) P-C4' energy: -93.820 flat angles C4'-P-C4' energy: -60.318 flat angles P-C4'-P energy: -41.062 tors. eta vs tors. theta energy: 8.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1795.332332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.332332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.332332 (E_RNA) where: Base-Base interactions energy: -1224.115 where: short stacking energy: -570.790 Base-Backbone interact. energy: 1.484 local terms energy: -572.701095 where: bonds (distance) C4'-P energy: -103.402 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -120.828 flat angles P-C4'-P energy: -78.666 tors. eta vs tors. theta energy: -151.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1706.937791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.937791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.937791 (E_RNA) where: Base-Base interactions energy: -1126.506 where: short stacking energy: -513.076 Base-Backbone interact. energy: -5.049 local terms energy: -575.383046 where: bonds (distance) C4'-P energy: -110.475 bonds (distance) P-C4' energy: -102.478 flat angles C4'-P-C4' energy: -109.455 flat angles P-C4'-P energy: -106.839 tors. eta vs tors. theta energy: -146.136 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: 271 Temperature: 1.000000 Total energy: -1615.460734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.460734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.460734 (E_RNA) where: Base-Base interactions energy: -1075.804 where: short stacking energy: -504.018 Base-Backbone interact. energy: -2.216 local terms energy: -537.440858 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -113.319 flat angles C4'-P-C4' energy: -107.895 flat angles P-C4'-P energy: -71.074 tors. eta vs tors. theta energy: -148.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1378.745480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.745480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.745480 (E_RNA) where: Base-Base interactions energy: -928.094 where: short stacking energy: -400.560 Base-Backbone interact. energy: -0.936 local terms energy: -449.715751 where: bonds (distance) C4'-P energy: -104.966 bonds (distance) P-C4' energy: -111.221 flat angles C4'-P-C4' energy: -93.763 flat angles P-C4'-P energy: -61.012 tors. eta vs tors. theta energy: -78.753 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: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1320.143861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.143861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.143861 (E_RNA) where: Base-Base interactions energy: -834.275 where: short stacking energy: -392.190 Base-Backbone interact. energy: -1.870 local terms energy: -483.999095 where: bonds (distance) C4'-P energy: -90.031 bonds (distance) P-C4' energy: -107.237 flat angles C4'-P-C4' energy: -109.317 flat angles P-C4'-P energy: -67.248 tors. eta vs tors. theta energy: -110.166 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: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1215.235861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.235861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.235861 (E_RNA) where: Base-Base interactions energy: -783.878 where: short stacking energy: -356.634 Base-Backbone interact. energy: -0.139 local terms energy: -431.218279 where: bonds (distance) C4'-P energy: -100.128 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -104.676 flat angles P-C4'-P energy: -68.820 tors. eta vs tors. theta energy: -80.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -980.480443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.480443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.480443 (E_RNA) where: Base-Base interactions energy: -604.831 where: short stacking energy: -303.439 Base-Backbone interact. energy: -3.286 local terms energy: -372.362704 where: bonds (distance) C4'-P energy: -86.934 bonds (distance) P-C4' energy: -88.793 flat angles C4'-P-C4' energy: -84.701 flat angles P-C4'-P energy: -61.973 tors. eta vs tors. theta energy: -49.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -886.086457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.086457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.086457 (E_RNA) where: Base-Base interactions energy: -522.343 where: short stacking energy: -251.753 Base-Backbone interact. energy: -2.385 local terms energy: -361.358692 where: bonds (distance) C4'-P energy: -87.649 bonds (distance) P-C4' energy: -101.432 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -57.887 tors. eta vs tors. theta energy: -23.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -600.497431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.497431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.497431 (E_RNA) where: Base-Base interactions energy: -276.807 where: short stacking energy: -169.725 Base-Backbone interact. energy: -0.102 local terms energy: -323.587953 where: bonds (distance) C4'-P energy: -77.786 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -92.640 flat angles P-C4'-P energy: -59.159 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -445.927206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.927206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.927206 (E_RNA) where: Base-Base interactions energy: -173.653 where: short stacking energy: -107.908 Base-Backbone interact. energy: -0.248 local terms energy: -272.026970 where: bonds (distance) C4'-P energy: -88.222 bonds (distance) P-C4' energy: -101.448 flat angles C4'-P-C4' energy: -46.623 flat angles P-C4'-P energy: -58.545 tors. eta vs tors. theta energy: 22.811 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: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1818.407457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.407457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.407457 (E_RNA) where: Base-Base interactions energy: -1211.464 where: short stacking energy: -564.941 Base-Backbone interact. energy: -2.697 local terms energy: -604.245480 where: bonds (distance) C4'-P energy: -117.767 bonds (distance) P-C4' energy: -110.022 flat angles C4'-P-C4' energy: -127.927 flat angles P-C4'-P energy: -98.493 tors. eta vs tors. theta energy: -150.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1718.141842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.141842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.141842 (E_RNA) where: Base-Base interactions energy: -1167.263 where: short stacking energy: -530.657 Base-Backbone interact. energy: -2.871 local terms energy: -548.007573 where: bonds (distance) C4'-P energy: -101.918 bonds (distance) P-C4' energy: -111.187 flat angles C4'-P-C4' energy: -119.931 flat angles P-C4'-P energy: -69.504 tors. eta vs tors. theta energy: -145.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1584.752801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.752801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.752801 (E_RNA) where: Base-Base interactions energy: -1069.524 where: short stacking energy: -486.979 Base-Backbone interact. energy: -1.275 local terms energy: -513.953440 where: bonds (distance) C4'-P energy: -104.664 bonds (distance) P-C4' energy: -86.764 flat angles C4'-P-C4' energy: -117.721 flat angles P-C4'-P energy: -75.209 tors. eta vs tors. theta energy: -129.596 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: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1445.559020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.559020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.559020 (E_RNA) where: Base-Base interactions energy: -949.473 where: short stacking energy: -407.524 Base-Backbone interact. energy: -5.847 local terms energy: -490.238902 where: bonds (distance) C4'-P energy: -91.343 bonds (distance) P-C4' energy: -99.882 flat angles C4'-P-C4' energy: -129.932 flat angles P-C4'-P energy: -64.845 tors. eta vs tors. theta energy: -104.237 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: 272 Temperature: 1.100000 Total energy: -1275.885516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.885516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.885516 (E_RNA) where: Base-Base interactions energy: -847.230 where: short stacking energy: -341.422 Base-Backbone interact. energy: -2.239 local terms energy: -426.416086 where: bonds (distance) C4'-P energy: -90.626 bonds (distance) P-C4' energy: -94.248 flat angles C4'-P-C4' energy: -94.607 flat angles P-C4'-P energy: -63.062 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: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1299.133530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.133530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.133530 (E_RNA) where: Base-Base interactions energy: -820.404 where: short stacking energy: -390.128 Base-Backbone interact. energy: -0.850 local terms energy: -477.879794 where: bonds (distance) C4'-P energy: -96.173 bonds (distance) P-C4' energy: -106.664 flat angles C4'-P-C4' energy: -98.256 flat angles P-C4'-P energy: -71.063 tors. eta vs tors. theta energy: -105.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -898.167525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.167525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.167525 (E_RNA) where: Base-Base interactions energy: -522.020 where: short stacking energy: -258.997 Base-Backbone interact. energy: 8.408 local terms energy: -384.555053 where: bonds (distance) C4'-P energy: -93.898 bonds (distance) P-C4' energy: -91.000 flat angles C4'-P-C4' energy: -99.788 flat angles P-C4'-P energy: -72.238 tors. eta vs tors. theta energy: -27.632 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: 272 Temperature: 1.250000 Total energy: -939.641008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.641008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.641008 (E_RNA) where: Base-Base interactions energy: -574.866 where: short stacking energy: -266.454 Base-Backbone interact. energy: 1.522 local terms energy: -366.296970 where: bonds (distance) C4'-P energy: -87.813 bonds (distance) P-C4' energy: -96.026 flat angles C4'-P-C4' energy: -84.748 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -41.952 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: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -612.540279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.540279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.540279 (E_RNA) where: Base-Base interactions energy: -294.707 where: short stacking energy: -192.769 Base-Backbone interact. energy: 2.847 local terms energy: -320.680070 where: bonds (distance) C4'-P energy: -90.526 bonds (distance) P-C4' energy: -82.190 flat angles C4'-P-C4' energy: -80.883 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -8.900 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: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -434.202389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.202389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.202389 (E_RNA) where: Base-Base interactions energy: -132.874 where: short stacking energy: -116.357 Base-Backbone interact. energy: 1.141 local terms energy: -302.469217 where: bonds (distance) C4'-P energy: -94.658 bonds (distance) P-C4' energy: -88.492 flat angles C4'-P-C4' energy: -72.331 flat angles P-C4'-P energy: -56.339 tors. eta vs tors. theta energy: 9.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1809.430647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.430647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.430647 (E_RNA) where: Base-Base interactions energy: -1234.023 where: short stacking energy: -548.373 Base-Backbone interact. energy: -4.408 local terms energy: -570.999477 where: bonds (distance) C4'-P energy: -107.054 bonds (distance) P-C4' energy: -105.060 flat angles C4'-P-C4' energy: -118.194 flat angles P-C4'-P energy: -77.907 tors. eta vs tors. theta energy: -162.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1695.170472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.170472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.170472 (E_RNA) where: Base-Base interactions energy: -1125.462 where: short stacking energy: -514.771 Base-Backbone interact. energy: -0.572 local terms energy: -569.136662 where: bonds (distance) C4'-P energy: -121.918 bonds (distance) P-C4' energy: -102.776 flat angles C4'-P-C4' energy: -125.188 flat angles P-C4'-P energy: -71.576 tors. eta vs tors. theta energy: -147.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1591.687131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.687131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.687131 (E_RNA) where: Base-Base interactions energy: -1041.442 where: short stacking energy: -495.039 Base-Backbone interact. energy: -2.230 local terms energy: -548.014867 where: bonds (distance) C4'-P energy: -106.013 bonds (distance) P-C4' energy: -109.271 flat angles C4'-P-C4' energy: -115.389 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -143.399 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: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1468.300518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.300518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.300518 (E_RNA) where: Base-Base interactions energy: -953.178 where: short stacking energy: -432.498 Base-Backbone interact. energy: -2.220 local terms energy: -512.902568 where: bonds (distance) C4'-P energy: -100.825 bonds (distance) P-C4' energy: -107.023 flat angles C4'-P-C4' energy: -120.233 flat angles P-C4'-P energy: -68.201 tors. eta vs tors. theta energy: -116.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1330.814052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.814052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.814052 (E_RNA) where: Base-Base interactions energy: -858.639 where: short stacking energy: -376.616 Base-Backbone interact. energy: -0.851 local terms energy: -471.324878 where: bonds (distance) C4'-P energy: -79.502 bonds (distance) P-C4' energy: -111.335 flat angles C4'-P-C4' energy: -109.228 flat angles P-C4'-P energy: -73.494 tors. eta vs tors. theta energy: -97.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1282.037952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.037952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.037952 (E_RNA) where: Base-Base interactions energy: -847.271 where: short stacking energy: -394.164 Base-Backbone interact. energy: 0.493 local terms energy: -435.259865 where: bonds (distance) C4'-P energy: -77.198 bonds (distance) P-C4' energy: -92.831 flat angles C4'-P-C4' energy: -96.210 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -96.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -922.711617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.711617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.711617 (E_RNA) where: Base-Base interactions energy: -536.840 where: short stacking energy: -256.885 Base-Backbone interact. energy: -0.695 local terms energy: -385.176466 where: bonds (distance) C4'-P energy: -88.994 bonds (distance) P-C4' energy: -95.834 flat angles C4'-P-C4' energy: -105.350 flat angles P-C4'-P energy: -55.906 tors. eta vs tors. theta energy: -39.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -942.849313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.849313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.849313 (E_RNA) where: Base-Base interactions energy: -572.424 where: short stacking energy: -261.384 Base-Backbone interact. energy: 3.417 local terms energy: -373.842447 where: bonds (distance) C4'-P energy: -81.788 bonds (distance) P-C4' energy: -92.584 flat angles C4'-P-C4' energy: -91.796 flat angles P-C4'-P energy: -56.000 tors. eta vs tors. theta energy: -51.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -628.970673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.970673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.970673 (E_RNA) where: Base-Base interactions energy: -297.525 where: short stacking energy: -183.700 Base-Backbone interact. energy: 2.983 local terms energy: -334.428184 where: bonds (distance) C4'-P energy: -94.135 bonds (distance) P-C4' energy: -87.659 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -63.071 tors. eta vs tors. theta energy: -13.995 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: 273 Temperature: 1.350000 Total energy: -459.271717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.271717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.271717 (E_RNA) where: Base-Base interactions energy: -142.885 where: short stacking energy: -119.605 Base-Backbone interact. energy: -0.373 local terms energy: -316.014051 where: bonds (distance) C4'-P energy: -90.078 bonds (distance) P-C4' energy: -112.378 flat angles C4'-P-C4' energy: -82.450 flat angles P-C4'-P energy: -41.941 tors. eta vs tors. theta energy: 10.833 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1745.686159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.686159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.686159 (E_RNA) where: Base-Base interactions energy: -1161.554 where: short stacking energy: -543.422 Base-Backbone interact. energy: -0.556 local terms energy: -583.575765 where: bonds (distance) C4'-P energy: -113.924 bonds (distance) P-C4' energy: -103.277 flat angles C4'-P-C4' energy: -127.814 flat angles P-C4'-P energy: -86.811 tors. eta vs tors. theta energy: -151.750 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: 274 Temperature: 0.950000 Total energy: -1741.413742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.413742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.413742 (E_RNA) where: Base-Base interactions energy: -1190.215 where: short stacking energy: -534.270 Base-Backbone interact. energy: 0.934 local terms energy: -552.132376 where: bonds (distance) C4'-P energy: -112.465 bonds (distance) P-C4' energy: -107.016 flat angles C4'-P-C4' energy: -120.444 flat angles P-C4'-P energy: -73.177 tors. eta vs tors. theta energy: -139.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1568.499465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.499465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.499465 (E_RNA) where: Base-Base interactions energy: -1045.576 where: short stacking energy: -484.273 Base-Backbone interact. energy: -2.483 local terms energy: -520.440902 where: bonds (distance) C4'-P energy: -102.392 bonds (distance) P-C4' energy: -111.581 flat angles C4'-P-C4' energy: -103.341 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -125.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1498.251216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.251216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.251216 (E_RNA) where: Base-Base interactions energy: -992.479 where: short stacking energy: -452.539 Base-Backbone interact. energy: -3.061 local terms energy: -502.711777 where: bonds (distance) C4'-P energy: -93.278 bonds (distance) P-C4' energy: -102.239 flat angles C4'-P-C4' energy: -110.453 flat angles P-C4'-P energy: -65.250 tors. eta vs tors. theta energy: -131.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1332.716092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.716092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.716092 (E_RNA) where: Base-Base interactions energy: -838.626 where: short stacking energy: -398.116 Base-Backbone interact. energy: -3.621 local terms energy: -490.469394 where: bonds (distance) C4'-P energy: -91.557 bonds (distance) P-C4' energy: -108.703 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -67.490 tors. eta vs tors. theta energy: -114.448 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: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1303.730072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.730072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.730072 (E_RNA) where: Base-Base interactions energy: -854.696 where: short stacking energy: -394.698 Base-Backbone interact. energy: -1.916 local terms energy: -447.117568 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -95.907 flat angles C4'-P-C4' energy: -93.500 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -97.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -881.127909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.127909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.127909 (E_RNA) where: Base-Base interactions energy: -506.396 where: short stacking energy: -276.668 Base-Backbone interact. energy: 0.407 local terms energy: -375.138846 where: bonds (distance) C4'-P energy: -84.012 bonds (distance) P-C4' energy: -105.282 flat angles C4'-P-C4' energy: -110.854 flat angles P-C4'-P energy: -38.686 tors. eta vs tors. theta energy: -36.304 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: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -872.190822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.190822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.190822 (E_RNA) where: Base-Base interactions energy: -505.886 where: short stacking energy: -248.551 Base-Backbone interact. energy: 0.153 local terms energy: -366.457541 where: bonds (distance) C4'-P energy: -95.303 bonds (distance) P-C4' energy: -95.323 flat angles C4'-P-C4' energy: -86.346 flat angles P-C4'-P energy: -59.520 tors. eta vs tors. theta energy: -29.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -629.515492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.515492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.515492 (E_RNA) where: Base-Base interactions energy: -315.780 where: short stacking energy: -205.144 Base-Backbone interact. energy: -2.447 local terms energy: -311.288325 where: bonds (distance) C4'-P energy: -88.130 bonds (distance) P-C4' energy: -108.638 flat angles C4'-P-C4' energy: -56.863 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -446.502632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.502632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.502632 (E_RNA) where: Base-Base interactions energy: -161.793 where: short stacking energy: -130.229 Base-Backbone interact. energy: 1.921 local terms energy: -286.630450 where: bonds (distance) C4'-P energy: -90.021 bonds (distance) P-C4' energy: -78.475 flat angles C4'-P-C4' energy: -56.139 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1756.960199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.960199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.960199 (E_RNA) where: Base-Base interactions energy: -1174.650 where: short stacking energy: -543.143 Base-Backbone interact. energy: 0.180 local terms energy: -582.489511 where: bonds (distance) C4'-P energy: -108.100 bonds (distance) P-C4' energy: -115.142 flat angles C4'-P-C4' energy: -123.042 flat angles P-C4'-P energy: -86.119 tors. eta vs tors. theta energy: -150.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1773.256844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.256844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.256844 (E_RNA) where: Base-Base interactions energy: -1217.591 where: short stacking energy: -551.155 Base-Backbone interact. energy: -0.844 local terms energy: -554.821555 where: bonds (distance) C4'-P energy: -109.905 bonds (distance) P-C4' energy: -93.802 flat angles C4'-P-C4' energy: -123.330 flat angles P-C4'-P energy: -72.965 tors. eta vs tors. theta energy: -154.819 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: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1591.955909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.955909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.955909 (E_RNA) where: Base-Base interactions energy: -1062.476 where: short stacking energy: -481.861 Base-Backbone interact. energy: -2.470 local terms energy: -527.009811 where: bonds (distance) C4'-P energy: -96.960 bonds (distance) P-C4' energy: -104.459 flat angles C4'-P-C4' energy: -125.828 flat angles P-C4'-P energy: -66.354 tors. eta vs tors. theta energy: -133.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1447.541989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.541989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.541989 (E_RNA) where: Base-Base interactions energy: -950.962 where: short stacking energy: -415.874 Base-Backbone interact. energy: 2.364 local terms energy: -498.943650 where: bonds (distance) C4'-P energy: -104.811 bonds (distance) P-C4' energy: -93.520 flat angles C4'-P-C4' energy: -117.903 flat angles P-C4'-P energy: -79.845 tors. eta vs tors. theta energy: -102.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1295.937903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.937903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.937903 (E_RNA) where: Base-Base interactions energy: -847.872 where: short stacking energy: -398.831 Base-Backbone interact. energy: -2.758 local terms energy: -445.307957 where: bonds (distance) C4'-P energy: -79.610 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -96.104 flat angles P-C4'-P energy: -68.928 tors. eta vs tors. theta energy: -104.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1227.604452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.604452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.604452 (E_RNA) where: Base-Base interactions energy: -797.843 where: short stacking energy: -374.666 Base-Backbone interact. energy: -0.280 local terms energy: -429.481612 where: bonds (distance) C4'-P energy: -85.726 bonds (distance) P-C4' energy: -81.092 flat angles C4'-P-C4' energy: -100.784 flat angles P-C4'-P energy: -65.757 tors. eta vs tors. theta energy: -96.122 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: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -858.120600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.120600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.120600 (E_RNA) where: Base-Base interactions energy: -467.251 where: short stacking energy: -235.922 Base-Backbone interact. energy: 0.100 local terms energy: -390.969720 where: bonds (distance) C4'-P energy: -101.930 bonds (distance) P-C4' energy: -107.083 flat angles C4'-P-C4' energy: -97.622 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -26.349 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: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -823.903652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.903652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.903652 (E_RNA) where: Base-Base interactions energy: -467.103 where: short stacking energy: -232.577 Base-Backbone interact. energy: -0.780 local terms energy: -356.020602 where: bonds (distance) C4'-P energy: -91.862 bonds (distance) P-C4' energy: -118.727 flat angles C4'-P-C4' energy: -84.437 flat angles P-C4'-P energy: -44.634 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -606.618486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.618486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.618486 (E_RNA) where: Base-Base interactions energy: -269.524 where: short stacking energy: -146.961 Base-Backbone interact. energy: 0.214 local terms energy: -337.308328 where: bonds (distance) C4'-P energy: -98.799 bonds (distance) P-C4' energy: -101.310 flat angles C4'-P-C4' energy: -90.254 flat angles P-C4'-P energy: -45.800 tors. eta vs tors. theta energy: -1.145 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: 275 Temperature: 1.350000 Total energy: -466.937192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.937192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.937192 (E_RNA) where: Base-Base interactions energy: -196.626 where: short stacking energy: -146.707 Base-Backbone interact. energy: 2.895 local terms energy: -273.206171 where: bonds (distance) C4'-P energy: -74.274 bonds (distance) P-C4' energy: -83.164 flat angles C4'-P-C4' energy: -76.661 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: 5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1811.466046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.466046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.466046 (E_RNA) where: Base-Base interactions energy: -1224.464 where: short stacking energy: -533.090 Base-Backbone interact. energy: -3.178 local terms energy: -583.823908 where: bonds (distance) C4'-P energy: -110.910 bonds (distance) P-C4' energy: -101.713 flat angles C4'-P-C4' energy: -127.595 flat angles P-C4'-P energy: -88.252 tors. eta vs tors. theta energy: -155.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1724.205750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.205750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.205750 (E_RNA) where: Base-Base interactions energy: -1154.716 where: short stacking energy: -539.158 Base-Backbone interact. energy: -1.954 local terms energy: -567.535166 where: bonds (distance) C4'-P energy: -112.009 bonds (distance) P-C4' energy: -113.965 flat angles C4'-P-C4' energy: -115.174 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -161.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1582.345599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.345599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.345599 (E_RNA) where: Base-Base interactions energy: -1051.582 where: short stacking energy: -481.693 Base-Backbone interact. energy: -1.079 local terms energy: -529.684450 where: bonds (distance) C4'-P energy: -98.136 bonds (distance) P-C4' energy: -107.834 flat angles C4'-P-C4' energy: -113.272 flat angles P-C4'-P energy: -80.259 tors. eta vs tors. theta energy: -130.183 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: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1420.626028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.626028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.626028 (E_RNA) where: Base-Base interactions energy: -928.318 where: short stacking energy: -419.331 Base-Backbone interact. energy: -2.815 local terms energy: -489.493276 where: bonds (distance) C4'-P energy: -91.404 bonds (distance) P-C4' energy: -106.613 flat angles C4'-P-C4' energy: -111.157 flat angles P-C4'-P energy: -79.475 tors. eta vs tors. theta energy: -100.844 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: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1356.120031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.120031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.120031 (E_RNA) where: Base-Base interactions energy: -890.813 where: short stacking energy: -428.792 Base-Backbone interact. energy: -1.165 local terms energy: -464.142348 where: bonds (distance) C4'-P energy: -83.802 bonds (distance) P-C4' energy: -96.631 flat angles C4'-P-C4' energy: -104.498 flat angles P-C4'-P energy: -72.510 tors. eta vs tors. theta energy: -106.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1295.516244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.516244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.516244 (E_RNA) where: Base-Base interactions energy: -838.453 where: short stacking energy: -389.246 Base-Backbone interact. energy: -3.167 local terms energy: -453.896217 where: bonds (distance) C4'-P energy: -94.065 bonds (distance) P-C4' energy: -92.865 flat angles C4'-P-C4' energy: -109.550 flat angles P-C4'-P energy: -54.745 tors. eta vs tors. theta energy: -102.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -872.452332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.452332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.452332 (E_RNA) where: Base-Base interactions energy: -489.271 where: short stacking energy: -221.451 Base-Backbone interact. energy: -1.425 local terms energy: -381.756038 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -90.316 flat angles C4'-P-C4' energy: -95.872 flat angles P-C4'-P energy: -65.947 tors. eta vs tors. theta energy: -46.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -759.568189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.568189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.568189 (E_RNA) where: Base-Base interactions energy: -416.472 where: short stacking energy: -228.847 Base-Backbone interact. energy: -1.380 local terms energy: -341.716823 where: bonds (distance) C4'-P energy: -86.726 bonds (distance) P-C4' energy: -82.744 flat angles C4'-P-C4' energy: -97.001 flat angles P-C4'-P energy: -58.072 tors. eta vs tors. theta energy: -17.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -618.514420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.514420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.514420 (E_RNA) where: Base-Base interactions energy: -294.715 where: short stacking energy: -181.160 Base-Backbone interact. energy: 3.317 local terms energy: -327.116578 where: bonds (distance) C4'-P energy: -93.032 bonds (distance) P-C4' energy: -89.754 flat angles C4'-P-C4' energy: -90.067 flat angles P-C4'-P energy: -37.688 tors. eta vs tors. theta energy: -16.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -487.881821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.881821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.881821 (E_RNA) where: Base-Base interactions energy: -185.813 where: short stacking energy: -135.261 Base-Backbone interact. energy: 0.233 local terms energy: -302.301540 where: bonds (distance) C4'-P energy: -87.017 bonds (distance) P-C4' energy: -95.382 flat angles C4'-P-C4' energy: -93.943 flat angles P-C4'-P energy: -37.102 tors. eta vs tors. theta energy: 11.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1804.947938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.947938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.947938 (E_RNA) where: Base-Base interactions energy: -1222.934 where: short stacking energy: -577.903 Base-Backbone interact. energy: -0.419 local terms energy: -581.595691 where: bonds (distance) C4'-P energy: -111.250 bonds (distance) P-C4' energy: -107.915 flat angles C4'-P-C4' energy: -118.794 flat angles P-C4'-P energy: -74.342 tors. eta vs tors. theta energy: -169.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1702.661650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.661650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.661650 (E_RNA) where: Base-Base interactions energy: -1128.488 where: short stacking energy: -557.175 Base-Backbone interact. energy: -0.597 local terms energy: -573.576926 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -100.375 flat angles C4'-P-C4' energy: -125.467 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: -171.036 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: 277 Temperature: 1.000000 Total energy: -1589.614505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.614505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.614505 (E_RNA) where: Base-Base interactions energy: -1063.030 where: short stacking energy: -494.734 Base-Backbone interact. energy: -1.922 local terms energy: -524.662523 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -109.687 flat angles C4'-P-C4' energy: -111.125 flat angles P-C4'-P energy: -73.726 tors. eta vs tors. theta energy: -125.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1474.023393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.023393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.023393 (E_RNA) where: Base-Base interactions energy: -969.962 where: short stacking energy: -443.389 Base-Backbone interact. energy: -4.015 local terms energy: -500.047126 where: bonds (distance) C4'-P energy: -101.014 bonds (distance) P-C4' energy: -98.310 flat angles C4'-P-C4' energy: -112.318 flat angles P-C4'-P energy: -72.479 tors. eta vs tors. theta energy: -115.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1337.752188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.752188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.752188 (E_RNA) where: Base-Base interactions energy: -855.679 where: short stacking energy: -386.943 Base-Backbone interact. energy: -3.464 local terms energy: -478.609254 where: bonds (distance) C4'-P energy: -94.566 bonds (distance) P-C4' energy: -105.348 flat angles C4'-P-C4' energy: -106.846 flat angles P-C4'-P energy: -72.340 tors. eta vs tors. theta energy: -99.508 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: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1269.213056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.213056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.213056 (E_RNA) where: Base-Base interactions energy: -832.565 where: short stacking energy: -400.237 Base-Backbone interact. energy: 2.143 local terms energy: -438.790906 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -98.032 flat angles C4'-P-C4' energy: -104.759 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: -105.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -906.477436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.477436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.477436 (E_RNA) where: Base-Base interactions energy: -525.297 where: short stacking energy: -274.719 Base-Backbone interact. energy: -2.006 local terms energy: -379.174268 where: bonds (distance) C4'-P energy: -97.625 bonds (distance) P-C4' energy: -97.147 flat angles C4'-P-C4' energy: -84.208 flat angles P-C4'-P energy: -58.079 tors. eta vs tors. theta energy: -42.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -823.579523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.579523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.579523 (E_RNA) where: Base-Base interactions energy: -476.357 where: short stacking energy: -230.731 Base-Backbone interact. energy: -0.680 local terms energy: -346.541970 where: bonds (distance) C4'-P energy: -83.091 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -87.311 flat angles P-C4'-P energy: -58.358 tors. eta vs tors. theta energy: -27.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -717.743808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.743808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.743808 (E_RNA) where: Base-Base interactions energy: -344.192 where: short stacking energy: -217.036 Base-Backbone interact. energy: -0.166 local terms energy: -373.386372 where: bonds (distance) C4'-P energy: -100.783 bonds (distance) P-C4' energy: -86.144 flat angles C4'-P-C4' energy: -91.446 flat angles P-C4'-P energy: -65.157 tors. eta vs tors. theta energy: -29.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -474.587450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.587450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.587450 (E_RNA) where: Base-Base interactions energy: -201.694 where: short stacking energy: -128.104 Base-Backbone interact. energy: -0.035 local terms energy: -272.858074 where: bonds (distance) C4'-P energy: -79.234 bonds (distance) P-C4' energy: -72.762 flat angles C4'-P-C4' energy: -89.911 flat angles P-C4'-P energy: -44.684 tors. eta vs tors. theta energy: 13.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1803.529323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.529323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.529323 (E_RNA) where: Base-Base interactions energy: -1203.170 where: short stacking energy: -538.771 Base-Backbone interact. energy: -2.921 local terms energy: -597.438563 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -110.887 flat angles C4'-P-C4' energy: -130.579 flat angles P-C4'-P energy: -90.571 tors. eta vs tors. theta energy: -158.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1689.182465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.182465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.182465 (E_RNA) where: Base-Base interactions energy: -1111.083 where: short stacking energy: -508.936 Base-Backbone interact. energy: -1.721 local terms energy: -576.377977 where: bonds (distance) C4'-P energy: -98.541 bonds (distance) P-C4' energy: -117.808 flat angles C4'-P-C4' energy: -118.030 flat angles P-C4'-P energy: -94.589 tors. eta vs tors. theta energy: -147.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1612.681265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.681265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.681265 (E_RNA) where: Base-Base interactions energy: -1078.894 where: short stacking energy: -492.032 Base-Backbone interact. energy: -3.453 local terms energy: -530.334213 where: bonds (distance) C4'-P energy: -97.665 bonds (distance) P-C4' energy: -114.294 flat angles C4'-P-C4' energy: -96.814 flat angles P-C4'-P energy: -78.611 tors. eta vs tors. theta energy: -142.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1456.852623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.852623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.852623 (E_RNA) where: Base-Base interactions energy: -972.904 where: short stacking energy: -442.692 Base-Backbone interact. energy: -2.901 local terms energy: -481.047917 where: bonds (distance) C4'-P energy: -93.874 bonds (distance) P-C4' energy: -94.420 flat angles C4'-P-C4' energy: -110.504 flat angles P-C4'-P energy: -69.875 tors. eta vs tors. theta energy: -112.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1328.727568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.727568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.727568 (E_RNA) where: Base-Base interactions energy: -846.100 where: short stacking energy: -412.467 Base-Backbone interact. energy: -2.334 local terms energy: -480.294476 where: bonds (distance) C4'-P energy: -98.145 bonds (distance) P-C4' energy: -104.404 flat angles C4'-P-C4' energy: -106.575 flat angles P-C4'-P energy: -70.057 tors. eta vs tors. theta energy: -101.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1250.272778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.272778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.272778 (E_RNA) where: Base-Base interactions energy: -808.072 where: short stacking energy: -367.101 Base-Backbone interact. energy: -2.714 local terms energy: -439.486794 where: bonds (distance) C4'-P energy: -82.381 bonds (distance) P-C4' energy: -100.982 flat angles C4'-P-C4' energy: -101.774 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -88.361 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: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -926.189445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.189445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.189445 (E_RNA) where: Base-Base interactions energy: -531.846 where: short stacking energy: -259.090 Base-Backbone interact. energy: -2.237 local terms energy: -392.107119 where: bonds (distance) C4'-P energy: -95.855 bonds (distance) P-C4' energy: -92.295 flat angles C4'-P-C4' energy: -100.075 flat angles P-C4'-P energy: -66.016 tors. eta vs tors. theta energy: -37.867 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: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -801.977019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.977019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.977019 (E_RNA) where: Base-Base interactions energy: -446.953 where: short stacking energy: -229.708 Base-Backbone interact. energy: 2.036 local terms energy: -357.060546 where: bonds (distance) C4'-P energy: -99.584 bonds (distance) P-C4' energy: -100.909 flat angles C4'-P-C4' energy: -84.464 flat angles P-C4'-P energy: -41.408 tors. eta vs tors. theta energy: -30.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -666.808699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.808699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.808699 (E_RNA) where: Base-Base interactions energy: -336.871 where: short stacking energy: -173.209 Base-Backbone interact. energy: 2.961 local terms energy: -332.899400 where: bonds (distance) C4'-P energy: -92.892 bonds (distance) P-C4' energy: -97.937 flat angles C4'-P-C4' energy: -87.017 flat angles P-C4'-P energy: -51.671 tors. eta vs tors. theta energy: -3.383 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: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -427.359221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.359221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.359221 (E_RNA) where: Base-Base interactions energy: -171.128 where: short stacking energy: -116.730 Base-Backbone interact. energy: 0.096 local terms energy: -256.326674 where: bonds (distance) C4'-P energy: -93.795 bonds (distance) P-C4' energy: -71.112 flat angles C4'-P-C4' energy: -81.485 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: 33.598 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: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1832.878558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.878558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.878558 (E_RNA) where: Base-Base interactions energy: -1242.117 where: short stacking energy: -567.314 Base-Backbone interact. energy: -1.705 local terms energy: -589.056249 where: bonds (distance) C4'-P energy: -114.046 bonds (distance) P-C4' energy: -114.001 flat angles C4'-P-C4' energy: -123.922 flat angles P-C4'-P energy: -80.857 tors. eta vs tors. theta energy: -156.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1666.946794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.946794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.946794 (E_RNA) where: Base-Base interactions energy: -1112.830 where: short stacking energy: -515.438 Base-Backbone interact. energy: -1.740 local terms energy: -552.377531 where: bonds (distance) C4'-P energy: -112.833 bonds (distance) P-C4' energy: -101.020 flat angles C4'-P-C4' energy: -110.966 flat angles P-C4'-P energy: -79.829 tors. eta vs tors. theta energy: -147.730 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: 279 Temperature: 1.000000 Total energy: -1580.811306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.811306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.811306 (E_RNA) where: Base-Base interactions energy: -1058.275 where: short stacking energy: -497.582 Base-Backbone interact. energy: -2.940 local terms energy: -519.596689 where: bonds (distance) C4'-P energy: -96.859 bonds (distance) P-C4' energy: -97.905 flat angles C4'-P-C4' energy: -113.872 flat angles P-C4'-P energy: -71.664 tors. eta vs tors. theta energy: -139.297 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: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1439.473533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.473533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.473533 (E_RNA) where: Base-Base interactions energy: -951.185 where: short stacking energy: -417.126 Base-Backbone interact. energy: -1.001 local terms energy: -487.287923 where: bonds (distance) C4'-P energy: -92.065 bonds (distance) P-C4' energy: -102.435 flat angles C4'-P-C4' energy: -115.613 flat angles P-C4'-P energy: -79.747 tors. eta vs tors. theta energy: -97.427 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: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1299.445437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.445437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.445437 (E_RNA) where: Base-Base interactions energy: -795.745 where: short stacking energy: -382.846 Base-Backbone interact. energy: 1.654 local terms energy: -505.354719 where: bonds (distance) C4'-P energy: -106.404 bonds (distance) P-C4' energy: -115.986 flat angles C4'-P-C4' energy: -115.815 flat angles P-C4'-P energy: -74.051 tors. eta vs tors. theta energy: -93.099 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: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1242.413412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.413412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.413412 (E_RNA) where: Base-Base interactions energy: -806.101 where: short stacking energy: -338.645 Base-Backbone interact. energy: -1.609 local terms energy: -434.703057 where: bonds (distance) C4'-P energy: -99.584 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -84.954 flat angles P-C4'-P energy: -63.371 tors. eta vs tors. theta energy: -81.291 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: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -974.257265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.257265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.257265 (E_RNA) where: Base-Base interactions energy: -588.034 where: short stacking energy: -293.869 Base-Backbone interact. energy: -0.423 local terms energy: -385.800832 where: bonds (distance) C4'-P energy: -95.289 bonds (distance) P-C4' energy: -90.207 flat angles C4'-P-C4' energy: -84.244 flat angles P-C4'-P energy: -61.864 tors. eta vs tors. theta energy: -54.197 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: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -818.838199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.838199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.838199 (E_RNA) where: Base-Base interactions energy: -485.164 where: short stacking energy: -233.304 Base-Backbone interact. energy: 0.819 local terms energy: -334.493347 where: bonds (distance) C4'-P energy: -84.310 bonds (distance) P-C4' energy: -92.598 flat angles C4'-P-C4' energy: -93.857 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -21.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -659.205534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.205534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.205534 (E_RNA) where: Base-Base interactions energy: -320.622 where: short stacking energy: -177.910 Base-Backbone interact. energy: -0.088 local terms energy: -338.496260 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -95.851 flat angles C4'-P-C4' energy: -91.003 flat angles P-C4'-P energy: -60.279 tors. eta vs tors. theta energy: 1.030 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: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -433.293035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.293035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.293035 (E_RNA) where: Base-Base interactions energy: -147.818 where: short stacking energy: -127.651 Base-Backbone interact. energy: -0.307 local terms energy: -285.167419 where: bonds (distance) C4'-P energy: -89.718 bonds (distance) P-C4' energy: -83.707 flat angles C4'-P-C4' energy: -84.689 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: 13.704 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: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1815.271962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.271962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.271962 (E_RNA) where: Base-Base interactions energy: -1224.553 where: short stacking energy: -542.871 Base-Backbone interact. energy: -2.301 local terms energy: -588.417971 where: bonds (distance) C4'-P energy: -108.160 bonds (distance) P-C4' energy: -110.270 flat angles C4'-P-C4' energy: -123.275 flat angles P-C4'-P energy: -82.586 tors. eta vs tors. theta energy: -164.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1664.164143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.164143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.164143 (E_RNA) where: Base-Base interactions energy: -1116.730 where: short stacking energy: -513.312 Base-Backbone interact. energy: -1.452 local terms energy: -545.982302 where: bonds (distance) C4'-P energy: -97.600 bonds (distance) P-C4' energy: -112.437 flat angles C4'-P-C4' energy: -112.228 flat angles P-C4'-P energy: -72.922 tors. eta vs tors. theta energy: -150.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1622.777180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.777180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.777180 (E_RNA) where: Base-Base interactions energy: -1089.453 where: short stacking energy: -500.443 Base-Backbone interact. energy: -0.962 local terms energy: -532.361552 where: bonds (distance) C4'-P energy: -102.887 bonds (distance) P-C4' energy: -100.756 flat angles C4'-P-C4' energy: -103.571 flat angles P-C4'-P energy: -78.100 tors. eta vs tors. theta energy: -147.047 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: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1418.227574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.227574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.227574 (E_RNA) where: Base-Base interactions energy: -924.358 where: short stacking energy: -401.651 Base-Backbone interact. energy: 0.603 local terms energy: -494.472478 where: bonds (distance) C4'-P energy: -96.143 bonds (distance) P-C4' energy: -108.287 flat angles C4'-P-C4' energy: -121.287 flat angles P-C4'-P energy: -67.180 tors. eta vs tors. theta energy: -101.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1320.487348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.487348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.487348 (E_RNA) where: Base-Base interactions energy: -831.956 where: short stacking energy: -408.225 Base-Backbone interact. energy: -2.268 local terms energy: -486.264005 where: bonds (distance) C4'-P energy: -99.817 bonds (distance) P-C4' energy: -96.430 flat angles C4'-P-C4' energy: -107.234 flat angles P-C4'-P energy: -73.472 tors. eta vs tors. theta energy: -109.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1274.752307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.752307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.752307 (E_RNA) where: Base-Base interactions energy: -818.546 where: short stacking energy: -353.087 Base-Backbone interact. energy: -2.804 local terms energy: -453.402626 where: bonds (distance) C4'-P energy: -104.936 bonds (distance) P-C4' energy: -99.956 flat angles C4'-P-C4' energy: -96.115 flat angles P-C4'-P energy: -57.204 tors. eta vs tors. theta energy: -95.192 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: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -934.648479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.648479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.648479 (E_RNA) where: Base-Base interactions energy: -574.690 where: short stacking energy: -286.892 Base-Backbone interact. energy: 0.065 local terms energy: -360.023286 where: bonds (distance) C4'-P energy: -77.510 bonds (distance) P-C4' energy: -103.309 flat angles C4'-P-C4' energy: -86.115 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -39.949 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: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -774.679045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.679045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.679045 (E_RNA) where: Base-Base interactions energy: -414.742 where: short stacking energy: -227.602 Base-Backbone interact. energy: 0.115 local terms energy: -360.051360 where: bonds (distance) C4'-P energy: -89.833 bonds (distance) P-C4' energy: -92.876 flat angles C4'-P-C4' energy: -91.575 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -32.976 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: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -661.733391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.733391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.733391 (E_RNA) where: Base-Base interactions energy: -364.134 where: short stacking energy: -201.116 Base-Backbone interact. energy: -0.277 local terms energy: -297.322244 where: bonds (distance) C4'-P energy: -73.673 bonds (distance) P-C4' energy: -94.486 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -417.399786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.399786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.399786 (E_RNA) where: Base-Base interactions energy: -149.993 where: short stacking energy: -117.289 Base-Backbone interact. energy: 1.826 local terms energy: -269.232979 where: bonds (distance) C4'-P energy: -82.819 bonds (distance) P-C4' energy: -99.773 flat angles C4'-P-C4' energy: -87.902 flat angles P-C4'-P energy: -20.856 tors. eta vs tors. theta energy: 22.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1801.838301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.838301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.838301 (E_RNA) where: Base-Base interactions energy: -1240.160 where: short stacking energy: -558.234 Base-Backbone interact. energy: -3.829 local terms energy: -557.848935 where: bonds (distance) C4'-P energy: -105.916 bonds (distance) P-C4' energy: -108.800 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -85.440 tors. eta vs tors. theta energy: -153.014 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: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1682.824867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.824867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.824867 (E_RNA) where: Base-Base interactions energy: -1123.094 where: short stacking energy: -517.372 Base-Backbone interact. energy: -5.165 local terms energy: -554.565474 where: bonds (distance) C4'-P energy: -96.745 bonds (distance) P-C4' energy: -107.164 flat angles C4'-P-C4' energy: -126.722 flat angles P-C4'-P energy: -76.335 tors. eta vs tors. theta energy: -147.600 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: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1593.904824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.904824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.904824 (E_RNA) where: Base-Base interactions energy: -1055.975 where: short stacking energy: -505.203 Base-Backbone interact. energy: -2.556 local terms energy: -535.373336 where: bonds (distance) C4'-P energy: -91.148 bonds (distance) P-C4' energy: -115.582 flat angles C4'-P-C4' energy: -103.481 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -150.311 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: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1393.904046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.904046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.904046 (E_RNA) where: Base-Base interactions energy: -903.934 where: short stacking energy: -405.125 Base-Backbone interact. energy: -2.325 local terms energy: -487.644718 where: bonds (distance) C4'-P energy: -94.651 bonds (distance) P-C4' energy: -99.260 flat angles C4'-P-C4' energy: -112.812 flat angles P-C4'-P energy: -66.448 tors. eta vs tors. theta energy: -114.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1376.083088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.083088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.083088 (E_RNA) where: Base-Base interactions energy: -865.280 where: short stacking energy: -392.831 Base-Backbone interact. energy: -2.070 local terms energy: -508.733200 where: bonds (distance) C4'-P energy: -102.497 bonds (distance) P-C4' energy: -107.001 flat angles C4'-P-C4' energy: -116.545 flat angles P-C4'-P energy: -69.927 tors. eta vs tors. theta energy: -112.762 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: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1291.968080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.968080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.968080 (E_RNA) where: Base-Base interactions energy: -839.054 where: short stacking energy: -392.222 Base-Backbone interact. energy: -4.521 local terms energy: -448.393234 where: bonds (distance) C4'-P energy: -98.506 bonds (distance) P-C4' energy: -91.487 flat angles C4'-P-C4' energy: -101.120 flat angles P-C4'-P energy: -67.789 tors. eta vs tors. theta energy: -89.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -892.605797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.605797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.605797 (E_RNA) where: Base-Base interactions energy: -519.539 where: short stacking energy: -255.157 Base-Backbone interact. energy: 1.073 local terms energy: -374.139821 where: bonds (distance) C4'-P energy: -92.264 bonds (distance) P-C4' energy: -90.688 flat angles C4'-P-C4' energy: -86.493 flat angles P-C4'-P energy: -69.404 tors. eta vs tors. theta energy: -35.289 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: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -798.657860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.657860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.657860 (E_RNA) where: Base-Base interactions energy: -439.270 where: short stacking energy: -252.593 Base-Backbone interact. energy: -3.309 local terms energy: -356.078158 where: bonds (distance) C4'-P energy: -104.779 bonds (distance) P-C4' energy: -105.278 flat angles C4'-P-C4' energy: -78.625 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -30.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -605.357734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.357734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.357734 (E_RNA) where: Base-Base interactions energy: -310.634 where: short stacking energy: -150.078 Base-Backbone interact. energy: 4.027 local terms energy: -298.750600 where: bonds (distance) C4'-P energy: -91.374 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -49.166 tors. eta vs tors. theta energy: 16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -424.458194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.458194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.458194 (E_RNA) where: Base-Base interactions energy: -146.555 where: short stacking energy: -129.092 Base-Backbone interact. energy: 1.252 local terms energy: -279.155734 where: bonds (distance) C4'-P energy: -73.592 bonds (distance) P-C4' energy: -98.734 flat angles C4'-P-C4' energy: -75.488 flat angles P-C4'-P energy: -50.841 tors. eta vs tors. theta energy: 19.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1800.290380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.290380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.290380 (E_RNA) where: Base-Base interactions energy: -1233.078 where: short stacking energy: -542.163 Base-Backbone interact. energy: -2.271 local terms energy: -564.940576 where: bonds (distance) C4'-P energy: -99.057 bonds (distance) P-C4' energy: -110.610 flat angles C4'-P-C4' energy: -113.067 flat angles P-C4'-P energy: -77.564 tors. eta vs tors. theta energy: -164.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1684.990579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.990579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.990579 (E_RNA) where: Base-Base interactions energy: -1111.871 where: short stacking energy: -522.713 Base-Backbone interact. energy: 0.022 local terms energy: -573.141652 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -107.118 flat angles C4'-P-C4' energy: -122.032 flat angles P-C4'-P energy: -79.648 tors. eta vs tors. theta energy: -153.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1629.119904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.119904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.119904 (E_RNA) where: Base-Base interactions energy: -1056.644 where: short stacking energy: -498.738 Base-Backbone interact. energy: -0.835 local terms energy: -571.640658 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -113.679 flat angles C4'-P-C4' energy: -118.554 flat angles P-C4'-P energy: -83.325 tors. eta vs tors. theta energy: -146.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1439.801268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.801268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.801268 (E_RNA) where: Base-Base interactions energy: -944.455 where: short stacking energy: -459.848 Base-Backbone interact. energy: -0.399 local terms energy: -494.947518 where: bonds (distance) C4'-P energy: -93.144 bonds (distance) P-C4' energy: -100.970 flat angles C4'-P-C4' energy: -116.249 flat angles P-C4'-P energy: -79.967 tors. eta vs tors. theta energy: -104.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1323.536643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.536643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.536643 (E_RNA) where: Base-Base interactions energy: -868.596 where: short stacking energy: -401.449 Base-Backbone interact. energy: -3.756 local terms energy: -451.184550 where: bonds (distance) C4'-P energy: -97.410 bonds (distance) P-C4' energy: -90.800 flat angles C4'-P-C4' energy: -103.869 flat angles P-C4'-P energy: -68.105 tors. eta vs tors. theta energy: -91.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1223.632815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.632815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.632815 (E_RNA) where: Base-Base interactions energy: -777.491 where: short stacking energy: -353.311 Base-Backbone interact. energy: -2.594 local terms energy: -443.547946 where: bonds (distance) C4'-P energy: -93.398 bonds (distance) P-C4' energy: -102.988 flat angles C4'-P-C4' energy: -97.306 flat angles P-C4'-P energy: -64.698 tors. eta vs tors. theta energy: -85.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -906.546685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.546685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.546685 (E_RNA) where: Base-Base interactions energy: -534.322 where: short stacking energy: -265.767 Base-Backbone interact. energy: -1.367 local terms energy: -370.857649 where: bonds (distance) C4'-P energy: -83.497 bonds (distance) P-C4' energy: -93.379 flat angles C4'-P-C4' energy: -107.796 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -40.648 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: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -792.332232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.332232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.332232 (E_RNA) where: Base-Base interactions energy: -431.237 where: short stacking energy: -234.588 Base-Backbone interact. energy: -1.685 local terms energy: -359.410340 where: bonds (distance) C4'-P energy: -89.953 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -88.869 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -34.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -691.691764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.691764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.691764 (E_RNA) where: Base-Base interactions energy: -327.833 where: short stacking energy: -180.766 Base-Backbone interact. energy: 0.898 local terms energy: -364.756577 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -110.519 flat angles C4'-P-C4' energy: -88.351 flat angles P-C4'-P energy: -37.572 tors. eta vs tors. theta energy: -35.069 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: 282 Temperature: 1.350000 Total energy: -441.745851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.745851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.745851 (E_RNA) where: Base-Base interactions energy: -168.264 where: short stacking energy: -127.775 Base-Backbone interact. energy: 1.288 local terms energy: -274.770107 where: bonds (distance) C4'-P energy: -90.652 bonds (distance) P-C4' energy: -97.445 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -35.280 tors. eta vs tors. theta energy: 11.165 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: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1845.066429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.066429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.066429 (E_RNA) where: Base-Base interactions energy: -1252.918 where: short stacking energy: -552.660 Base-Backbone interact. energy: -5.582 local terms energy: -586.565894 where: bonds (distance) C4'-P energy: -112.464 bonds (distance) P-C4' energy: -97.613 flat angles C4'-P-C4' energy: -124.169 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -171.358 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: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1664.664351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.664351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.664351 (E_RNA) where: Base-Base interactions energy: -1119.107 where: short stacking energy: -518.243 Base-Backbone interact. energy: -4.392 local terms energy: -541.165033 where: bonds (distance) C4'-P energy: -90.993 bonds (distance) P-C4' energy: -110.454 flat angles C4'-P-C4' energy: -120.807 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -145.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1653.680029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.680029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.680029 (E_RNA) where: Base-Base interactions energy: -1110.478 where: short stacking energy: -517.985 Base-Backbone interact. energy: 4.714 local terms energy: -547.915444 where: bonds (distance) C4'-P energy: -96.325 bonds (distance) P-C4' energy: -108.761 flat angles C4'-P-C4' energy: -111.413 flat angles P-C4'-P energy: -78.256 tors. eta vs tors. theta energy: -153.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1445.655651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.655651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.655651 (E_RNA) where: Base-Base interactions energy: -930.587 where: short stacking energy: -414.305 Base-Backbone interact. energy: -3.734 local terms energy: -511.334221 where: bonds (distance) C4'-P energy: -103.421 bonds (distance) P-C4' energy: -116.365 flat angles C4'-P-C4' energy: -107.711 flat angles P-C4'-P energy: -75.267 tors. eta vs tors. theta energy: -108.570 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: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1307.790162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.790162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.790162 (E_RNA) where: Base-Base interactions energy: -832.859 where: short stacking energy: -390.607 Base-Backbone interact. energy: -3.103 local terms energy: -471.828004 where: bonds (distance) C4'-P energy: -88.588 bonds (distance) P-C4' energy: -109.152 flat angles C4'-P-C4' energy: -104.770 flat angles P-C4'-P energy: -58.896 tors. eta vs tors. theta energy: -110.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1213.086324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.086324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.086324 (E_RNA) where: Base-Base interactions energy: -767.959 where: short stacking energy: -339.186 Base-Backbone interact. energy: -1.809 local terms energy: -443.317871 where: bonds (distance) C4'-P energy: -105.438 bonds (distance) P-C4' energy: -91.440 flat angles C4'-P-C4' energy: -100.270 flat angles P-C4'-P energy: -73.932 tors. eta vs tors. theta energy: -72.238 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: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -914.607091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.607091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.607091 (E_RNA) where: Base-Base interactions energy: -530.311 where: short stacking energy: -270.392 Base-Backbone interact. energy: -2.618 local terms energy: -381.678073 where: bonds (distance) C4'-P energy: -97.505 bonds (distance) P-C4' energy: -108.954 flat angles C4'-P-C4' energy: -83.944 flat angles P-C4'-P energy: -52.189 tors. eta vs tors. theta energy: -39.086 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: 283 Temperature: 1.250000 Total energy: -786.722806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.722806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.722806 (E_RNA) where: Base-Base interactions energy: -441.944 where: short stacking energy: -223.156 Base-Backbone interact. energy: 4.956 local terms energy: -349.734012 where: bonds (distance) C4'-P energy: -93.011 bonds (distance) P-C4' energy: -93.805 flat angles C4'-P-C4' energy: -80.895 flat angles P-C4'-P energy: -55.733 tors. eta vs tors. theta energy: -26.291 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: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -702.848036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.848036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.848036 (E_RNA) where: Base-Base interactions energy: -378.640 where: short stacking energy: -219.764 Base-Backbone interact. energy: 6.265 local terms energy: -330.473484 where: bonds (distance) C4'-P energy: -91.087 bonds (distance) P-C4' energy: -99.259 flat angles C4'-P-C4' energy: -76.161 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -13.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -425.710306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.710306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.710306 (E_RNA) where: Base-Base interactions energy: -136.819 where: short stacking energy: -128.934 Base-Backbone interact. energy: 0.939 local terms energy: -289.829708 where: bonds (distance) C4'-P energy: -85.156 bonds (distance) P-C4' energy: -94.701 flat angles C4'-P-C4' energy: -78.468 flat angles P-C4'-P energy: -60.626 tors. eta vs tors. theta energy: 29.122 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: 284 Temperature: 0.900000 Total energy: -1807.584666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.584666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.584666 (E_RNA) where: Base-Base interactions energy: -1221.423 where: short stacking energy: -540.988 Base-Backbone interact. energy: -2.347 local terms energy: -583.814687 where: bonds (distance) C4'-P energy: -102.468 bonds (distance) P-C4' energy: -120.956 flat angles C4'-P-C4' energy: -118.945 flat angles P-C4'-P energy: -82.256 tors. eta vs tors. theta energy: -159.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1688.439733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.439733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.439733 (E_RNA) where: Base-Base interactions energy: -1113.130 where: short stacking energy: -509.904 Base-Backbone interact. energy: -1.911 local terms energy: -573.399191 where: bonds (distance) C4'-P energy: -108.745 bonds (distance) P-C4' energy: -117.173 flat angles C4'-P-C4' energy: -121.301 flat angles P-C4'-P energy: -73.518 tors. eta vs tors. theta energy: -152.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1635.961793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.961793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.961793 (E_RNA) where: Base-Base interactions energy: -1102.501 where: short stacking energy: -505.895 Base-Backbone interact. energy: 1.308 local terms energy: -534.768406 where: bonds (distance) C4'-P energy: -97.835 bonds (distance) P-C4' energy: -104.952 flat angles C4'-P-C4' energy: -115.832 flat angles P-C4'-P energy: -75.693 tors. eta vs tors. theta energy: -140.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1419.134677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.134677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.134677 (E_RNA) where: Base-Base interactions energy: -922.876 where: short stacking energy: -419.052 Base-Backbone interact. energy: -1.593 local terms energy: -494.664991 where: bonds (distance) C4'-P energy: -102.933 bonds (distance) P-C4' energy: -98.498 flat angles C4'-P-C4' energy: -108.330 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -105.271 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: 284 Temperature: 1.100000 Total energy: -1298.907674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.907674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.907674 (E_RNA) where: Base-Base interactions energy: -826.916 where: short stacking energy: -391.687 Base-Backbone interact. energy: -2.486 local terms energy: -469.505501 where: bonds (distance) C4'-P energy: -87.408 bonds (distance) P-C4' energy: -100.395 flat angles C4'-P-C4' energy: -117.208 flat angles P-C4'-P energy: -64.371 tors. eta vs tors. theta energy: -100.124 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: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1177.278219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.278219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.278219 (E_RNA) where: Base-Base interactions energy: -738.573 where: short stacking energy: -342.861 Base-Backbone interact. energy: -1.417 local terms energy: -437.288298 where: bonds (distance) C4'-P energy: -95.609 bonds (distance) P-C4' energy: -115.016 flat angles C4'-P-C4' energy: -87.966 flat angles P-C4'-P energy: -67.060 tors. eta vs tors. theta energy: -71.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -869.247782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.247782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.247782 (E_RNA) where: Base-Base interactions energy: -481.659 where: short stacking energy: -233.353 Base-Backbone interact. energy: -3.184 local terms energy: -384.405072 where: bonds (distance) C4'-P energy: -87.184 bonds (distance) P-C4' energy: -97.738 flat angles C4'-P-C4' energy: -106.593 flat angles P-C4'-P energy: -67.789 tors. eta vs tors. theta energy: -25.101 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: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -830.459203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.459203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.459203 (E_RNA) where: Base-Base interactions energy: -455.607 where: short stacking energy: -241.213 Base-Backbone interact. energy: 0.293 local terms energy: -375.145198 where: bonds (distance) C4'-P energy: -95.020 bonds (distance) P-C4' energy: -100.697 flat angles C4'-P-C4' energy: -93.448 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -38.523 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: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -712.199051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.199051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.199051 (E_RNA) where: Base-Base interactions energy: -385.535 where: short stacking energy: -220.997 Base-Backbone interact. energy: -1.960 local terms energy: -324.704116 where: bonds (distance) C4'-P energy: -80.131 bonds (distance) P-C4' energy: -73.846 flat angles C4'-P-C4' energy: -102.993 flat angles P-C4'-P energy: -47.351 tors. eta vs tors. theta energy: -20.384 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: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -447.327793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.327793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.327793 (E_RNA) where: Base-Base interactions energy: -176.716 where: short stacking energy: -141.610 Base-Backbone interact. energy: 1.033 local terms energy: -271.645315 where: bonds (distance) C4'-P energy: -85.006 bonds (distance) P-C4' energy: -96.280 flat angles C4'-P-C4' energy: -73.617 flat angles P-C4'-P energy: -39.490 tors. eta vs tors. theta energy: 22.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1838.586916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.586916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.586916 (E_RNA) where: Base-Base interactions energy: -1241.896 where: short stacking energy: -540.544 Base-Backbone interact. energy: -4.279 local terms energy: -592.411854 where: bonds (distance) C4'-P energy: -114.732 bonds (distance) P-C4' energy: -120.002 flat angles C4'-P-C4' energy: -125.464 flat angles P-C4'-P energy: -84.680 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: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1677.730449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.730449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.730449 (E_RNA) where: Base-Base interactions energy: -1121.818 where: short stacking energy: -545.172 Base-Backbone interact. energy: -3.519 local terms energy: -552.393010 where: bonds (distance) C4'-P energy: -97.592 bonds (distance) P-C4' energy: -104.839 flat angles C4'-P-C4' energy: -111.471 flat angles P-C4'-P energy: -82.407 tors. eta vs tors. theta energy: -156.084 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: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1640.828366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.828366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.828366 (E_RNA) where: Base-Base interactions energy: -1114.326 where: short stacking energy: -502.897 Base-Backbone interact. energy: 0.515 local terms energy: -527.017420 where: bonds (distance) C4'-P energy: -98.640 bonds (distance) P-C4' energy: -100.818 flat angles C4'-P-C4' energy: -112.572 flat angles P-C4'-P energy: -73.079 tors. eta vs tors. theta energy: -141.908 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: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1462.424474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.424474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.424474 (E_RNA) where: Base-Base interactions energy: -946.558 where: short stacking energy: -406.644 Base-Backbone interact. energy: -2.905 local terms energy: -512.961237 where: bonds (distance) C4'-P energy: -104.601 bonds (distance) P-C4' energy: -112.556 flat angles C4'-P-C4' energy: -107.328 flat angles P-C4'-P energy: -85.875 tors. eta vs tors. theta energy: -102.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1298.945024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.945024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.945024 (E_RNA) where: Base-Base interactions energy: -821.182 where: short stacking energy: -399.397 Base-Backbone interact. energy: -2.816 local terms energy: -474.946923 where: bonds (distance) C4'-P energy: -97.527 bonds (distance) P-C4' energy: -102.607 flat angles C4'-P-C4' energy: -118.402 flat angles P-C4'-P energy: -62.420 tors. eta vs tors. theta energy: -93.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1174.783187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.783187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.783187 (E_RNA) where: Base-Base interactions energy: -758.662 where: short stacking energy: -332.448 Base-Backbone interact. energy: 2.881 local terms energy: -419.002025 where: bonds (distance) C4'-P energy: -79.073 bonds (distance) P-C4' energy: -101.924 flat angles C4'-P-C4' energy: -107.316 flat angles P-C4'-P energy: -60.767 tors. eta vs tors. theta energy: -69.922 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: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -865.136276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.136276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.136276 (E_RNA) where: Base-Base interactions energy: -511.726 where: short stacking energy: -268.224 Base-Backbone interact. energy: 6.870 local terms energy: -360.280279 where: bonds (distance) C4'-P energy: -89.418 bonds (distance) P-C4' energy: -98.697 flat angles C4'-P-C4' energy: -87.924 flat angles P-C4'-P energy: -45.482 tors. eta vs tors. theta energy: -38.759 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: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -791.870772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.870772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.870772 (E_RNA) where: Base-Base interactions energy: -450.156 where: short stacking energy: -221.365 Base-Backbone interact. energy: -3.607 local terms energy: -338.108477 where: bonds (distance) C4'-P energy: -65.370 bonds (distance) P-C4' energy: -106.429 flat angles C4'-P-C4' energy: -93.486 flat angles P-C4'-P energy: -54.546 tors. eta vs tors. theta energy: -18.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -634.311414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.311414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.311414 (E_RNA) where: Base-Base interactions energy: -318.320 where: short stacking energy: -183.649 Base-Backbone interact. energy: 1.242 local terms energy: -317.234214 where: bonds (distance) C4'-P energy: -83.553 bonds (distance) P-C4' energy: -104.225 flat angles C4'-P-C4' energy: -87.941 flat angles P-C4'-P energy: -36.226 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -441.853977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.853977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.853977 (E_RNA) where: Base-Base interactions energy: -139.063 where: short stacking energy: -120.067 Base-Backbone interact. energy: 3.052 local terms energy: -305.842933 where: bonds (distance) C4'-P energy: -88.914 bonds (distance) P-C4' energy: -100.464 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -50.572 tors. eta vs tors. theta energy: 9.792 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: 286 Temperature: 0.900000 Total energy: -1833.722385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.722385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.722385 (E_RNA) where: Base-Base interactions energy: -1246.509 where: short stacking energy: -555.932 Base-Backbone interact. energy: -2.977 local terms energy: -584.236715 where: bonds (distance) C4'-P energy: -107.166 bonds (distance) P-C4' energy: -107.684 flat angles C4'-P-C4' energy: -129.672 flat angles P-C4'-P energy: -75.936 tors. eta vs tors. theta energy: -163.780 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: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1669.230367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.230367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.230367 (E_RNA) where: Base-Base interactions energy: -1105.498 where: short stacking energy: -516.814 Base-Backbone interact. energy: -1.115 local terms energy: -562.617797 where: bonds (distance) C4'-P energy: -111.563 bonds (distance) P-C4' energy: -102.165 flat angles C4'-P-C4' energy: -122.900 flat angles P-C4'-P energy: -81.457 tors. eta vs tors. theta energy: -144.533 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: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1623.737620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.737620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.737620 (E_RNA) where: Base-Base interactions energy: -1118.568 where: short stacking energy: -510.968 Base-Backbone interact. energy: -1.193 local terms energy: -503.976306 where: bonds (distance) C4'-P energy: -83.164 bonds (distance) P-C4' energy: -97.913 flat angles C4'-P-C4' energy: -109.839 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: -143.686 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: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1431.755813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.755813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.755813 (E_RNA) where: Base-Base interactions energy: -951.663 where: short stacking energy: -412.274 Base-Backbone interact. energy: -1.485 local terms energy: -478.607824 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -98.060 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -77.030 tors. eta vs tors. theta energy: -110.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1219.353114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.353114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.353114 (E_RNA) where: Base-Base interactions energy: -768.535 where: short stacking energy: -374.983 Base-Backbone interact. energy: 1.792 local terms energy: -452.610394 where: bonds (distance) C4'-P energy: -93.525 bonds (distance) P-C4' energy: -101.839 flat angles C4'-P-C4' energy: -93.436 flat angles P-C4'-P energy: -71.207 tors. eta vs tors. theta energy: -92.604 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: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1224.357559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.357559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.357559 (E_RNA) where: Base-Base interactions energy: -763.623 where: short stacking energy: -375.019 Base-Backbone interact. energy: -1.460 local terms energy: -459.275346 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -80.212 flat angles C4'-P-C4' energy: -101.068 flat angles P-C4'-P energy: -62.816 tors. eta vs tors. theta energy: -95.088 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: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -904.721893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.721893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.721893 (E_RNA) where: Base-Base interactions energy: -516.232 where: short stacking energy: -251.300 Base-Backbone interact. energy: -2.522 local terms energy: -385.968559 where: bonds (distance) C4'-P energy: -91.025 bonds (distance) P-C4' energy: -100.162 flat angles C4'-P-C4' energy: -87.659 flat angles P-C4'-P energy: -62.920 tors. eta vs tors. theta energy: -44.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -823.808144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.808144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.808144 (E_RNA) where: Base-Base interactions energy: -470.727 where: short stacking energy: -228.276 Base-Backbone interact. energy: 2.814 local terms energy: -355.895906 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -97.755 flat angles C4'-P-C4' energy: -103.048 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -25.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -595.782413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.782413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.782413 (E_RNA) where: Base-Base interactions energy: -267.830 where: short stacking energy: -151.705 Base-Backbone interact. energy: -0.898 local terms energy: -327.053749 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -102.945 flat angles C4'-P-C4' energy: -74.246 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: -11.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -490.455594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.455594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.455594 (E_RNA) where: Base-Base interactions energy: -220.479 where: short stacking energy: -131.851 Base-Backbone interact. energy: 1.471 local terms energy: -271.447627 where: bonds (distance) C4'-P energy: -97.162 bonds (distance) P-C4' energy: -77.267 flat angles C4'-P-C4' energy: -73.718 flat angles P-C4'-P energy: -42.290 tors. eta vs tors. theta energy: 18.989 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: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1822.012143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.012143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.012143 (E_RNA) where: Base-Base interactions energy: -1212.564 where: short stacking energy: -548.747 Base-Backbone interact. energy: 0.131 local terms energy: -609.578548 where: bonds (distance) C4'-P energy: -117.202 bonds (distance) P-C4' energy: -115.336 flat angles C4'-P-C4' energy: -129.185 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: -160.080 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: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1678.817630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.817630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.817630 (E_RNA) where: Base-Base interactions energy: -1116.882 where: short stacking energy: -528.365 Base-Backbone interact. energy: -3.050 local terms energy: -558.885731 where: bonds (distance) C4'-P energy: -97.695 bonds (distance) P-C4' energy: -105.368 flat angles C4'-P-C4' energy: -125.761 flat angles P-C4'-P energy: -77.537 tors. eta vs tors. theta energy: -152.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1576.305224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.305224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.305224 (E_RNA) where: Base-Base interactions energy: -1056.001 where: short stacking energy: -446.830 Base-Backbone interact. energy: -0.749 local terms energy: -519.555735 where: bonds (distance) C4'-P energy: -107.674 bonds (distance) P-C4' energy: -107.705 flat angles C4'-P-C4' energy: -118.100 flat angles P-C4'-P energy: -85.800 tors. eta vs tors. theta energy: -100.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1477.644960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.644960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.644960 (E_RNA) where: Base-Base interactions energy: -967.161 where: short stacking energy: -421.666 Base-Backbone interact. energy: 0.664 local terms energy: -511.147954 where: bonds (distance) C4'-P energy: -114.841 bonds (distance) P-C4' energy: -98.852 flat angles C4'-P-C4' energy: -108.420 flat angles P-C4'-P energy: -77.910 tors. eta vs tors. theta energy: -111.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1295.977866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.977866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.977866 (E_RNA) where: Base-Base interactions energy: -817.244 where: short stacking energy: -398.163 Base-Backbone interact. energy: -2.483 local terms energy: -476.251597 where: bonds (distance) C4'-P energy: -97.590 bonds (distance) P-C4' energy: -99.828 flat angles C4'-P-C4' energy: -104.784 flat angles P-C4'-P energy: -70.550 tors. eta vs tors. theta energy: -103.500 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: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1177.525040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.525040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.525040 (E_RNA) where: Base-Base interactions energy: -730.981 where: short stacking energy: -352.321 Base-Backbone interact. energy: 2.360 local terms energy: -448.903632 where: bonds (distance) C4'-P energy: -104.365 bonds (distance) P-C4' energy: -95.158 flat angles C4'-P-C4' energy: -99.009 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -79.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -887.360390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.360390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.360390 (E_RNA) where: Base-Base interactions energy: -513.170 where: short stacking energy: -243.939 Base-Backbone interact. energy: 3.457 local terms energy: -377.647102 where: bonds (distance) C4'-P energy: -94.026 bonds (distance) P-C4' energy: -97.880 flat angles C4'-P-C4' energy: -83.136 flat angles P-C4'-P energy: -63.506 tors. eta vs tors. theta energy: -39.099 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: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -838.736145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.736145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.736145 (E_RNA) where: Base-Base interactions energy: -464.664 where: short stacking energy: -224.879 Base-Backbone interact. energy: -1.910 local terms energy: -372.162548 where: bonds (distance) C4'-P energy: -90.576 bonds (distance) P-C4' energy: -102.335 flat angles C4'-P-C4' energy: -89.101 flat angles P-C4'-P energy: -48.337 tors. eta vs tors. theta energy: -41.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -620.894775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.894775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.894775 (E_RNA) where: Base-Base interactions energy: -281.481 where: short stacking energy: -160.125 Base-Backbone interact. energy: -0.429 local terms energy: -338.984742 where: bonds (distance) C4'-P energy: -108.902 bonds (distance) P-C4' energy: -93.797 flat angles C4'-P-C4' energy: -93.888 flat angles P-C4'-P energy: -38.007 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -484.493432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.493432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.493432 (E_RNA) where: Base-Base interactions energy: -190.831 where: short stacking energy: -129.536 Base-Backbone interact. energy: -0.958 local terms energy: -292.704669 where: bonds (distance) C4'-P energy: -75.547 bonds (distance) P-C4' energy: -95.111 flat angles C4'-P-C4' energy: -96.118 flat angles P-C4'-P energy: -38.135 tors. eta vs tors. theta energy: 12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1816.375294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.375294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.375294 (E_RNA) where: Base-Base interactions energy: -1212.678 where: short stacking energy: -544.876 Base-Backbone interact. energy: -1.879 local terms energy: -601.818779 where: bonds (distance) C4'-P energy: -110.254 bonds (distance) P-C4' energy: -111.052 flat angles C4'-P-C4' energy: -137.813 flat angles P-C4'-P energy: -83.967 tors. eta vs tors. theta energy: -158.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1660.233480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.233480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.233480 (E_RNA) where: Base-Base interactions energy: -1112.364 where: short stacking energy: -506.085 Base-Backbone interact. energy: -3.324 local terms energy: -544.545131 where: bonds (distance) C4'-P energy: -92.259 bonds (distance) P-C4' energy: -106.895 flat angles C4'-P-C4' energy: -133.788 flat angles P-C4'-P energy: -63.629 tors. eta vs tors. theta energy: -147.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1563.136438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.136438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.136438 (E_RNA) where: Base-Base interactions energy: -1044.107 where: short stacking energy: -465.346 Base-Backbone interact. energy: 0.025 local terms energy: -519.054859 where: bonds (distance) C4'-P energy: -107.173 bonds (distance) P-C4' energy: -102.581 flat angles C4'-P-C4' energy: -110.125 flat angles P-C4'-P energy: -73.428 tors. eta vs tors. theta energy: -125.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1490.306364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.306364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.306364 (E_RNA) where: Base-Base interactions energy: -973.394 where: short stacking energy: -435.743 Base-Backbone interact. energy: -2.868 local terms energy: -514.044490 where: bonds (distance) C4'-P energy: -103.583 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -120.553 flat angles P-C4'-P energy: -65.790 tors. eta vs tors. theta energy: -120.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1261.215548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.215548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.215548 (E_RNA) where: Base-Base interactions energy: -796.904 where: short stacking energy: -367.941 Base-Backbone interact. energy: 1.248 local terms energy: -465.559321 where: bonds (distance) C4'-P energy: -97.065 bonds (distance) P-C4' energy: -103.154 flat angles C4'-P-C4' energy: -110.119 flat angles P-C4'-P energy: -67.466 tors. eta vs tors. theta energy: -87.756 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: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1225.118483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.118483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.118483 (E_RNA) where: Base-Base interactions energy: -774.729 where: short stacking energy: -348.955 Base-Backbone interact. energy: -2.687 local terms energy: -447.703041 where: bonds (distance) C4'-P energy: -87.271 bonds (distance) P-C4' energy: -105.500 flat angles C4'-P-C4' energy: -96.047 flat angles P-C4'-P energy: -69.811 tors. eta vs tors. theta energy: -89.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -863.779579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.779579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.779579 (E_RNA) where: Base-Base interactions energy: -468.257 where: short stacking energy: -254.722 Base-Backbone interact. energy: -0.484 local terms energy: -395.038703 where: bonds (distance) C4'-P energy: -97.057 bonds (distance) P-C4' energy: -98.717 flat angles C4'-P-C4' energy: -100.722 flat angles P-C4'-P energy: -57.023 tors. eta vs tors. theta energy: -41.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -888.014264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.014264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.014264 (E_RNA) where: Base-Base interactions energy: -516.531 where: short stacking energy: -246.015 Base-Backbone interact. energy: -1.185 local terms energy: -370.298807 where: bonds (distance) C4'-P energy: -79.537 bonds (distance) P-C4' energy: -99.407 flat angles C4'-P-C4' energy: -98.049 flat angles P-C4'-P energy: -48.361 tors. eta vs tors. theta energy: -44.946 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: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -612.663600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.663600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.663600 (E_RNA) where: Base-Base interactions energy: -279.134 where: short stacking energy: -152.900 Base-Backbone interact. energy: 0.893 local terms energy: -334.422677 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -93.979 flat angles C4'-P-C4' energy: -89.974 flat angles P-C4'-P energy: -46.245 tors. eta vs tors. theta energy: -5.163 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: 288 Temperature: 1.350000 Total energy: -501.564189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.564189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.564189 (E_RNA) where: Base-Base interactions energy: -206.775 where: short stacking energy: -130.440 Base-Backbone interact. energy: 2.656 local terms energy: -297.444873 where: bonds (distance) C4'-P energy: -94.512 bonds (distance) P-C4' energy: -89.126 flat angles C4'-P-C4' energy: -76.224 flat angles P-C4'-P energy: -49.197 tors. eta vs tors. theta energy: 11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1813.166526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.166526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.166526 (E_RNA) where: Base-Base interactions energy: -1196.268 where: short stacking energy: -546.715 Base-Backbone interact. energy: -2.900 local terms energy: -613.999394 where: bonds (distance) C4'-P energy: -121.521 bonds (distance) P-C4' energy: -114.709 flat angles C4'-P-C4' energy: -127.148 flat angles P-C4'-P energy: -90.283 tors. eta vs tors. theta energy: -160.338 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: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1660.563439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.563439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.563439 (E_RNA) where: Base-Base interactions energy: -1122.974 where: short stacking energy: -520.589 Base-Backbone interact. energy: -1.995 local terms energy: -535.594380 where: bonds (distance) C4'-P energy: -100.422 bonds (distance) P-C4' energy: -108.911 flat angles C4'-P-C4' energy: -111.487 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: -143.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1580.714061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.714061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.714061 (E_RNA) where: Base-Base interactions energy: -1058.005 where: short stacking energy: -465.245 Base-Backbone interact. energy: -3.374 local terms energy: -519.334326 where: bonds (distance) C4'-P energy: -95.452 bonds (distance) P-C4' energy: -99.976 flat angles C4'-P-C4' energy: -127.347 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: -131.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1465.491946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.491946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.491946 (E_RNA) where: Base-Base interactions energy: -975.643 where: short stacking energy: -439.440 Base-Backbone interact. energy: -2.913 local terms energy: -486.936021 where: bonds (distance) C4'-P energy: -90.791 bonds (distance) P-C4' energy: -100.412 flat angles C4'-P-C4' energy: -116.352 flat angles P-C4'-P energy: -60.648 tors. eta vs tors. theta energy: -118.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1286.964154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.964154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.964154 (E_RNA) where: Base-Base interactions energy: -837.292 where: short stacking energy: -394.396 Base-Backbone interact. energy: 1.435 local terms energy: -451.106965 where: bonds (distance) C4'-P energy: -92.526 bonds (distance) P-C4' energy: -101.624 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -98.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1233.918590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.918590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.918590 (E_RNA) where: Base-Base interactions energy: -784.880 where: short stacking energy: -356.881 Base-Backbone interact. energy: -2.050 local terms energy: -446.988427 where: bonds (distance) C4'-P energy: -88.649 bonds (distance) P-C4' energy: -105.500 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -55.568 tors. eta vs tors. theta energy: -95.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -825.225579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.225579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.225579 (E_RNA) where: Base-Base interactions energy: -467.474 where: short stacking energy: -236.152 Base-Backbone interact. energy: -3.732 local terms energy: -354.020030 where: bonds (distance) C4'-P energy: -93.433 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -76.120 flat angles P-C4'-P energy: -54.936 tors. eta vs tors. theta energy: -30.347 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: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -856.146985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.146985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.146985 (E_RNA) where: Base-Base interactions energy: -501.951 where: short stacking energy: -229.198 Base-Backbone interact. energy: 0.184 local terms energy: -354.379757 where: bonds (distance) C4'-P energy: -84.439 bonds (distance) P-C4' energy: -96.061 flat angles C4'-P-C4' energy: -89.165 flat angles P-C4'-P energy: -58.160 tors. eta vs tors. theta energy: -26.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -587.852480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.852480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.852480 (E_RNA) where: Base-Base interactions energy: -272.067 where: short stacking energy: -154.530 Base-Backbone interact. energy: -1.579 local terms energy: -314.206540 where: bonds (distance) C4'-P energy: -81.264 bonds (distance) P-C4' energy: -103.771 flat angles C4'-P-C4' energy: -81.162 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: 6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -464.974294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.974294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.974294 (E_RNA) where: Base-Base interactions energy: -172.403 where: short stacking energy: -120.392 Base-Backbone interact. energy: 5.659 local terms energy: -298.230272 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -82.289 flat angles P-C4'-P energy: -33.738 tors. eta vs tors. theta energy: 5.034 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: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1789.967007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.967007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.967007 (E_RNA) where: Base-Base interactions energy: -1203.105 where: short stacking energy: -542.797 Base-Backbone interact. energy: -3.554 local terms energy: -583.308306 where: bonds (distance) C4'-P energy: -114.867 bonds (distance) P-C4' energy: -109.625 flat angles C4'-P-C4' energy: -122.685 flat angles P-C4'-P energy: -73.184 tors. eta vs tors. theta energy: -162.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1705.009076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.009076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.009076 (E_RNA) where: Base-Base interactions energy: -1154.882 where: short stacking energy: -523.342 Base-Backbone interact. energy: -1.767 local terms energy: -548.359807 where: bonds (distance) C4'-P energy: -106.028 bonds (distance) P-C4' energy: -111.950 flat angles C4'-P-C4' energy: -123.543 flat angles P-C4'-P energy: -71.940 tors. eta vs tors. theta energy: -134.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1622.915936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.915936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.915936 (E_RNA) where: Base-Base interactions energy: -1109.319 where: short stacking energy: -478.056 Base-Backbone interact. energy: 1.331 local terms energy: -514.927895 where: bonds (distance) C4'-P energy: -102.322 bonds (distance) P-C4' energy: -105.809 flat angles C4'-P-C4' energy: -113.679 flat angles P-C4'-P energy: -72.962 tors. eta vs tors. theta energy: -120.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1432.017493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.017493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.017493 (E_RNA) where: Base-Base interactions energy: -957.902 where: short stacking energy: -444.368 Base-Backbone interact. energy: -4.098 local terms energy: -470.017701 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -100.323 flat angles C4'-P-C4' energy: -99.922 flat angles P-C4'-P energy: -63.356 tors. eta vs tors. theta energy: -106.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1377.035055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.035055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.035055 (E_RNA) where: Base-Base interactions energy: -883.660 where: short stacking energy: -413.848 Base-Backbone interact. energy: 5.692 local terms energy: -499.067562 where: bonds (distance) C4'-P energy: -92.198 bonds (distance) P-C4' energy: -110.050 flat angles C4'-P-C4' energy: -112.405 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -114.009 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: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1295.834596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.834596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.834596 (E_RNA) where: Base-Base interactions energy: -843.189 where: short stacking energy: -389.673 Base-Backbone interact. energy: -0.300 local terms energy: -452.345594 where: bonds (distance) C4'-P energy: -100.060 bonds (distance) P-C4' energy: -85.446 flat angles C4'-P-C4' energy: -92.744 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: -114.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -850.879333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.879333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.879333 (E_RNA) where: Base-Base interactions energy: -488.272 where: short stacking energy: -256.804 Base-Backbone interact. energy: -3.076 local terms energy: -359.531185 where: bonds (distance) C4'-P energy: -80.681 bonds (distance) P-C4' energy: -97.948 flat angles C4'-P-C4' energy: -104.839 flat angles P-C4'-P energy: -46.015 tors. eta vs tors. theta energy: -30.048 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: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -849.053913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.053913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.053913 (E_RNA) where: Base-Base interactions energy: -500.467 where: short stacking energy: -235.527 Base-Backbone interact. energy: -3.485 local terms energy: -345.101891 where: bonds (distance) C4'-P energy: -77.556 bonds (distance) P-C4' energy: -99.942 flat angles C4'-P-C4' energy: -78.285 flat angles P-C4'-P energy: -57.228 tors. eta vs tors. theta energy: -32.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -597.469033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.469033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.469033 (E_RNA) where: Base-Base interactions energy: -298.200 where: short stacking energy: -208.540 Base-Backbone interact. energy: -2.876 local terms energy: -296.393089 where: bonds (distance) C4'-P energy: -74.613 bonds (distance) P-C4' energy: -98.087 flat angles C4'-P-C4' energy: -82.645 flat angles P-C4'-P energy: -24.645 tors. eta vs tors. theta energy: -16.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -485.417682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.417682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.417682 (E_RNA) where: Base-Base interactions energy: -202.581 where: short stacking energy: -131.686 Base-Backbone interact. energy: -1.226 local terms energy: -281.610738 where: bonds (distance) C4'-P energy: -78.355 bonds (distance) P-C4' energy: -96.325 flat angles C4'-P-C4' energy: -77.984 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: 23.947 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: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1796.088918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.088918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.088918 (E_RNA) where: Base-Base interactions energy: -1210.990 where: short stacking energy: -569.542 Base-Backbone interact. energy: -1.474 local terms energy: -583.625048 where: bonds (distance) C4'-P energy: -101.540 bonds (distance) P-C4' energy: -114.254 flat angles C4'-P-C4' energy: -129.311 flat angles P-C4'-P energy: -79.543 tors. eta vs tors. theta energy: -158.977 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: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1689.521975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.521975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.521975 (E_RNA) where: Base-Base interactions energy: -1095.308 where: short stacking energy: -518.339 Base-Backbone interact. energy: -1.593 local terms energy: -592.620682 where: bonds (distance) C4'-P energy: -114.362 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -132.281 flat angles P-C4'-P energy: -80.038 tors. eta vs tors. theta energy: -147.977 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: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1639.110496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.110496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.110496 (E_RNA) where: Base-Base interactions energy: -1110.383 where: short stacking energy: -500.623 Base-Backbone interact. energy: -3.319 local terms energy: -525.407702 where: bonds (distance) C4'-P energy: -93.493 bonds (distance) P-C4' energy: -99.152 flat angles C4'-P-C4' energy: -121.257 flat angles P-C4'-P energy: -76.438 tors. eta vs tors. theta energy: -135.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1461.764006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.764006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.764006 (E_RNA) where: Base-Base interactions energy: -983.231 where: short stacking energy: -426.436 Base-Backbone interact. energy: -5.305 local terms energy: -473.228722 where: bonds (distance) C4'-P energy: -97.899 bonds (distance) P-C4' energy: -91.750 flat angles C4'-P-C4' energy: -102.203 flat angles P-C4'-P energy: -77.178 tors. eta vs tors. theta energy: -104.199 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: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1325.284332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.284332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.284332 (E_RNA) where: Base-Base interactions energy: -859.036 where: short stacking energy: -402.845 Base-Backbone interact. energy: -3.055 local terms energy: -463.193569 where: bonds (distance) C4'-P energy: -86.473 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -105.449 flat angles P-C4'-P energy: -56.773 tors. eta vs tors. theta energy: -112.534 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: 291 Temperature: 1.150000 Total energy: -1269.692361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.692361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.692361 (E_RNA) where: Base-Base interactions energy: -838.171 where: short stacking energy: -390.491 Base-Backbone interact. energy: -2.324 local terms energy: -429.197414 where: bonds (distance) C4'-P energy: -100.816 bonds (distance) P-C4' energy: -70.181 flat angles C4'-P-C4' energy: -96.409 flat angles P-C4'-P energy: -65.548 tors. eta vs tors. theta energy: -96.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -885.324757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.324757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.324757 (E_RNA) where: Base-Base interactions energy: -519.939 where: short stacking energy: -272.047 Base-Backbone interact. energy: -2.373 local terms energy: -363.012786 where: bonds (distance) C4'-P energy: -93.724 bonds (distance) P-C4' energy: -94.025 flat angles C4'-P-C4' energy: -92.576 flat angles P-C4'-P energy: -40.709 tors. eta vs tors. theta energy: -41.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -807.534299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.534299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.534299 (E_RNA) where: Base-Base interactions energy: -475.108 where: short stacking energy: -244.384 Base-Backbone interact. energy: 0.554 local terms energy: -332.980696 where: bonds (distance) C4'-P energy: -84.587 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -84.568 flat angles P-C4'-P energy: -56.584 tors. eta vs tors. theta energy: -9.016 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: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -596.655864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.655864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.655864 (E_RNA) where: Base-Base interactions energy: -259.444 where: short stacking energy: -178.860 Base-Backbone interact. energy: 3.269 local terms energy: -340.480333 where: bonds (distance) C4'-P energy: -94.168 bonds (distance) P-C4' energy: -113.215 flat angles C4'-P-C4' energy: -97.856 flat angles P-C4'-P energy: -37.207 tors. eta vs tors. theta energy: 1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -454.437547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.437547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.437547 (E_RNA) where: Base-Base interactions energy: -176.877 where: short stacking energy: -109.968 Base-Backbone interact. energy: -1.448 local terms energy: -276.113131 where: bonds (distance) C4'-P energy: -76.826 bonds (distance) P-C4' energy: -102.746 flat angles C4'-P-C4' energy: -80.299 flat angles P-C4'-P energy: -40.169 tors. eta vs tors. theta energy: 23.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1785.976059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.976059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.976059 (E_RNA) where: Base-Base interactions energy: -1213.002 where: short stacking energy: -542.577 Base-Backbone interact. energy: -3.476 local terms energy: -569.497812 where: bonds (distance) C4'-P energy: -98.439 bonds (distance) P-C4' energy: -113.256 flat angles C4'-P-C4' energy: -120.736 flat angles P-C4'-P energy: -79.748 tors. eta vs tors. theta energy: -157.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1684.017925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.017925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.017925 (E_RNA) where: Base-Base interactions energy: -1131.294 where: short stacking energy: -513.552 Base-Backbone interact. energy: -0.463 local terms energy: -552.260256 where: bonds (distance) C4'-P energy: -100.976 bonds (distance) P-C4' energy: -108.011 flat angles C4'-P-C4' energy: -120.774 flat angles P-C4'-P energy: -87.230 tors. eta vs tors. theta energy: -135.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1657.951441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.951441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.951441 (E_RNA) where: Base-Base interactions energy: -1100.411 where: short stacking energy: -506.085 Base-Backbone interact. energy: -3.733 local terms energy: -553.808304 where: bonds (distance) C4'-P energy: -97.831 bonds (distance) P-C4' energy: -101.505 flat angles C4'-P-C4' energy: -134.638 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -147.022 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: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1478.338273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.338273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.338273 (E_RNA) where: Base-Base interactions energy: -963.055 where: short stacking energy: -438.110 Base-Backbone interact. energy: -1.539 local terms energy: -513.744579 where: bonds (distance) C4'-P energy: -94.053 bonds (distance) P-C4' energy: -102.719 flat angles C4'-P-C4' energy: -118.403 flat angles P-C4'-P energy: -72.714 tors. eta vs tors. theta energy: -125.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1314.680758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.680758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.680758 (E_RNA) where: Base-Base interactions energy: -857.800 where: short stacking energy: -410.675 Base-Backbone interact. energy: 0.200 local terms energy: -457.081018 where: bonds (distance) C4'-P energy: -98.415 bonds (distance) P-C4' energy: -97.856 flat angles C4'-P-C4' energy: -98.057 flat angles P-C4'-P energy: -70.033 tors. eta vs tors. theta energy: -92.720 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: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1241.511729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.511729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.511729 (E_RNA) where: Base-Base interactions energy: -799.210 where: short stacking energy: -366.929 Base-Backbone interact. energy: -0.629 local terms energy: -441.672294 where: bonds (distance) C4'-P energy: -93.633 bonds (distance) P-C4' energy: -102.595 flat angles C4'-P-C4' energy: -94.110 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: -95.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -879.637473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.637473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.637473 (E_RNA) where: Base-Base interactions energy: -487.143 where: short stacking energy: -246.964 Base-Backbone interact. energy: -2.247 local terms energy: -390.247842 where: bonds (distance) C4'-P energy: -104.475 bonds (distance) P-C4' energy: -94.884 flat angles C4'-P-C4' energy: -95.980 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -39.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -869.802209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.802209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.802209 (E_RNA) where: Base-Base interactions energy: -490.078 where: short stacking energy: -266.207 Base-Backbone interact. energy: -1.296 local terms energy: -378.427321 where: bonds (distance) C4'-P energy: -99.571 bonds (distance) P-C4' energy: -117.873 flat angles C4'-P-C4' energy: -72.329 flat angles P-C4'-P energy: -59.275 tors. eta vs tors. theta energy: -29.380 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: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -595.098519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.098519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.098519 (E_RNA) where: Base-Base interactions energy: -275.709 where: short stacking energy: -175.703 Base-Backbone interact. energy: -2.182 local terms energy: -317.207251 where: bonds (distance) C4'-P energy: -72.695 bonds (distance) P-C4' energy: -92.586 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -55.418 tors. eta vs tors. theta energy: -8.611 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: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -449.061974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.061974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.061974 (E_RNA) where: Base-Base interactions energy: -158.902 where: short stacking energy: -128.920 Base-Backbone interact. energy: -0.772 local terms energy: -289.388260 where: bonds (distance) C4'-P energy: -76.797 bonds (distance) P-C4' energy: -90.422 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -46.966 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1820.888484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.888484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.888484 (E_RNA) where: Base-Base interactions energy: -1224.469 where: short stacking energy: -546.467 Base-Backbone interact. energy: -4.177 local terms energy: -592.241820 where: bonds (distance) C4'-P energy: -102.819 bonds (distance) P-C4' energy: -121.851 flat angles C4'-P-C4' energy: -124.594 flat angles P-C4'-P energy: -81.358 tors. eta vs tors. theta energy: -161.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1664.549725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.549725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.549725 (E_RNA) where: Base-Base interactions energy: -1104.513 where: short stacking energy: -508.296 Base-Backbone interact. energy: -2.188 local terms energy: -557.848526 where: bonds (distance) C4'-P energy: -117.467 bonds (distance) P-C4' energy: -109.775 flat angles C4'-P-C4' energy: -116.186 flat angles P-C4'-P energy: -70.596 tors. eta vs tors. theta energy: -143.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1607.849265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.849265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.849265 (E_RNA) where: Base-Base interactions energy: -1078.952 where: short stacking energy: -455.959 Base-Backbone interact. energy: -6.105 local terms energy: -522.792422 where: bonds (distance) C4'-P energy: -105.745 bonds (distance) P-C4' energy: -95.018 flat angles C4'-P-C4' energy: -115.066 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -133.541 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: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1485.892500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.892500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.892500 (E_RNA) where: Base-Base interactions energy: -964.762 where: short stacking energy: -463.527 Base-Backbone interact. energy: -1.473 local terms energy: -519.657497 where: bonds (distance) C4'-P energy: -94.666 bonds (distance) P-C4' energy: -111.290 flat angles C4'-P-C4' energy: -109.155 flat angles P-C4'-P energy: -78.816 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: 5, replica: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1283.665055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.665055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.665055 (E_RNA) where: Base-Base interactions energy: -820.974 where: short stacking energy: -390.022 Base-Backbone interact. energy: -3.568 local terms energy: -459.122465 where: bonds (distance) C4'-P energy: -94.043 bonds (distance) P-C4' energy: -93.165 flat angles C4'-P-C4' energy: -89.427 flat angles P-C4'-P energy: -79.708 tors. eta vs tors. theta energy: -102.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1185.701857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.701857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.701857 (E_RNA) where: Base-Base interactions energy: -772.252 where: short stacking energy: -349.978 Base-Backbone interact. energy: -1.922 local terms energy: -411.527273 where: bonds (distance) C4'-P energy: -98.162 bonds (distance) P-C4' energy: -85.872 flat angles C4'-P-C4' energy: -99.818 flat angles P-C4'-P energy: -57.229 tors. eta vs tors. theta energy: -70.447 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -875.015856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.015856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.015856 (E_RNA) where: Base-Base interactions energy: -493.813 where: short stacking energy: -282.632 Base-Backbone interact. energy: -1.910 local terms energy: -379.292942 where: bonds (distance) C4'-P energy: -103.537 bonds (distance) P-C4' energy: -90.344 flat angles C4'-P-C4' energy: -83.432 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: -43.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -799.573999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.573999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.573999 (E_RNA) where: Base-Base interactions energy: -441.464 where: short stacking energy: -225.798 Base-Backbone interact. energy: 1.004 local terms energy: -359.113869 where: bonds (distance) C4'-P energy: -95.491 bonds (distance) P-C4' energy: -100.351 flat angles C4'-P-C4' energy: -85.520 flat angles P-C4'-P energy: -47.432 tors. eta vs tors. theta energy: -30.320 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: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -581.673374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.673374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.673374 (E_RNA) where: Base-Base interactions energy: -273.838 where: short stacking energy: -178.530 Base-Backbone interact. energy: 3.072 local terms energy: -310.906720 where: bonds (distance) C4'-P energy: -90.662 bonds (distance) P-C4' energy: -78.046 flat angles C4'-P-C4' energy: -95.186 flat angles P-C4'-P energy: -41.380 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -424.302905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.302905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.302905 (E_RNA) where: Base-Base interactions energy: -166.100 where: short stacking energy: -128.364 Base-Backbone interact. energy: -1.794 local terms energy: -256.409031 where: bonds (distance) C4'-P energy: -78.572 bonds (distance) P-C4' energy: -95.061 flat angles C4'-P-C4' energy: -60.549 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: 20.065 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: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1825.942530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.942530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.942530 (E_RNA) where: Base-Base interactions energy: -1239.212 where: short stacking energy: -555.599 Base-Backbone interact. energy: -1.417 local terms energy: -585.313553 where: bonds (distance) C4'-P energy: -112.172 bonds (distance) P-C4' energy: -112.542 flat angles C4'-P-C4' energy: -116.876 flat angles P-C4'-P energy: -79.019 tors. eta vs tors. theta energy: -164.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1630.188213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.188213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.188213 (E_RNA) where: Base-Base interactions energy: -1081.402 where: short stacking energy: -498.718 Base-Backbone interact. energy: -3.470 local terms energy: -545.316992 where: bonds (distance) C4'-P energy: -107.207 bonds (distance) P-C4' energy: -106.502 flat angles C4'-P-C4' energy: -113.859 flat angles P-C4'-P energy: -74.985 tors. eta vs tors. theta energy: -142.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1618.934828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.934828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.934828 (E_RNA) where: Base-Base interactions energy: -1106.985 where: short stacking energy: -490.495 Base-Backbone interact. energy: -3.317 local terms energy: -508.632723 where: bonds (distance) C4'-P energy: -100.425 bonds (distance) P-C4' energy: -101.058 flat angles C4'-P-C4' energy: -112.997 flat angles P-C4'-P energy: -66.352 tors. eta vs tors. theta energy: -127.800 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: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1491.543012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.543012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.543012 (E_RNA) where: Base-Base interactions energy: -997.788 where: short stacking energy: -452.762 Base-Backbone interact. energy: -5.658 local terms energy: -488.096741 where: bonds (distance) C4'-P energy: -103.684 bonds (distance) P-C4' energy: -98.742 flat angles C4'-P-C4' energy: -105.056 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: -115.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1317.391588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.391588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.391588 (E_RNA) where: Base-Base interactions energy: -830.518 where: short stacking energy: -380.046 Base-Backbone interact. energy: -4.142 local terms energy: -482.731152 where: bonds (distance) C4'-P energy: -86.361 bonds (distance) P-C4' energy: -113.370 flat angles C4'-P-C4' energy: -116.390 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -104.028 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: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1185.409903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.409903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.409903 (E_RNA) where: Base-Base interactions energy: -739.449 where: short stacking energy: -346.113 Base-Backbone interact. energy: -5.694 local terms energy: -440.266756 where: bonds (distance) C4'-P energy: -97.894 bonds (distance) P-C4' energy: -101.832 flat angles C4'-P-C4' energy: -99.821 flat angles P-C4'-P energy: -54.698 tors. eta vs tors. theta energy: -86.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -865.129313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.129313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.129313 (E_RNA) where: Base-Base interactions energy: -476.453 where: short stacking energy: -238.878 Base-Backbone interact. energy: 0.134 local terms energy: -388.810539 where: bonds (distance) C4'-P energy: -104.750 bonds (distance) P-C4' energy: -92.091 flat angles C4'-P-C4' energy: -97.858 flat angles P-C4'-P energy: -48.825 tors. eta vs tors. theta energy: -45.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -828.520812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.520812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.520812 (E_RNA) where: Base-Base interactions energy: -468.948 where: short stacking energy: -246.932 Base-Backbone interact. energy: 0.313 local terms energy: -359.886182 where: bonds (distance) C4'-P energy: -76.703 bonds (distance) P-C4' energy: -108.126 flat angles C4'-P-C4' energy: -96.014 flat angles P-C4'-P energy: -38.965 tors. eta vs tors. theta energy: -40.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -597.907208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.907208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.907208 (E_RNA) where: Base-Base interactions energy: -298.546 where: short stacking energy: -189.538 Base-Backbone interact. energy: 3.500 local terms energy: -302.860844 where: bonds (distance) C4'-P energy: -87.933 bonds (distance) P-C4' energy: -85.662 flat angles C4'-P-C4' energy: -85.075 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -1.409 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: 294 Temperature: 1.350000 Total energy: -445.435623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.435623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.435623 (E_RNA) where: Base-Base interactions energy: -151.791 where: short stacking energy: -142.565 Base-Backbone interact. energy: -1.856 local terms energy: -291.788253 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -85.051 flat angles C4'-P-C4' energy: -81.932 flat angles P-C4'-P energy: -54.397 tors. eta vs tors. theta energy: -1.257 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: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1839.863434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.863434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.863434 (E_RNA) where: Base-Base interactions energy: -1246.812 where: short stacking energy: -571.112 Base-Backbone interact. energy: -1.244 local terms energy: -591.807996 where: bonds (distance) C4'-P energy: -101.153 bonds (distance) P-C4' energy: -117.717 flat angles C4'-P-C4' energy: -132.758 flat angles P-C4'-P energy: -74.595 tors. eta vs tors. theta energy: -165.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1690.641639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.641639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.641639 (E_RNA) where: Base-Base interactions energy: -1131.213 where: short stacking energy: -522.723 Base-Backbone interact. energy: -4.125 local terms energy: -555.303735 where: bonds (distance) C4'-P energy: -107.903 bonds (distance) P-C4' energy: -108.844 flat angles C4'-P-C4' energy: -118.550 flat angles P-C4'-P energy: -66.598 tors. eta vs tors. theta energy: -153.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1614.004589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.004589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.004589 (E_RNA) where: Base-Base interactions energy: -1098.452 where: short stacking energy: -506.571 Base-Backbone interact. energy: -1.101 local terms energy: -514.451971 where: bonds (distance) C4'-P energy: -82.056 bonds (distance) P-C4' energy: -103.303 flat angles C4'-P-C4' energy: -112.967 flat angles P-C4'-P energy: -76.400 tors. eta vs tors. theta energy: -139.726 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: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1527.013858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.013858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.013858 (E_RNA) where: Base-Base interactions energy: -999.038 where: short stacking energy: -464.233 Base-Backbone interact. energy: -1.660 local terms energy: -526.316629 where: bonds (distance) C4'-P energy: -92.587 bonds (distance) P-C4' energy: -102.903 flat angles C4'-P-C4' energy: -125.330 flat angles P-C4'-P energy: -80.294 tors. eta vs tors. theta energy: -125.202 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: 295 Temperature: 1.100000 Total energy: -1320.768153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.768153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.768153 (E_RNA) where: Base-Base interactions energy: -839.427 where: short stacking energy: -381.817 Base-Backbone interact. energy: -1.309 local terms energy: -480.032107 where: bonds (distance) C4'-P energy: -92.650 bonds (distance) P-C4' energy: -110.610 flat angles C4'-P-C4' energy: -106.118 flat angles P-C4'-P energy: -72.614 tors. eta vs tors. theta energy: -98.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1219.153601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.153601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.153601 (E_RNA) where: Base-Base interactions energy: -781.102 where: short stacking energy: -364.255 Base-Backbone interact. energy: 0.333 local terms energy: -438.384940 where: bonds (distance) C4'-P energy: -93.763 bonds (distance) P-C4' energy: -97.058 flat angles C4'-P-C4' energy: -105.338 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -87.228 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: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -828.836472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.836472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.836472 (E_RNA) where: Base-Base interactions energy: -474.677 where: short stacking energy: -238.934 Base-Backbone interact. energy: 4.308 local terms energy: -358.467427 where: bonds (distance) C4'-P energy: -98.156 bonds (distance) P-C4' energy: -111.711 flat angles C4'-P-C4' energy: -87.580 flat angles P-C4'-P energy: -53.268 tors. eta vs tors. theta energy: -7.752 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: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -860.846129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.846129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.846129 (E_RNA) where: Base-Base interactions energy: -531.479 where: short stacking energy: -257.713 Base-Backbone interact. energy: -4.445 local terms energy: -324.922100 where: bonds (distance) C4'-P energy: -77.929 bonds (distance) P-C4' energy: -86.991 flat angles C4'-P-C4' energy: -84.058 flat angles P-C4'-P energy: -34.100 tors. eta vs tors. theta energy: -41.845 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: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -580.000342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.000342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.000342 (E_RNA) where: Base-Base interactions energy: -275.099 where: short stacking energy: -181.370 Base-Backbone interact. energy: 1.115 local terms energy: -306.016016 where: bonds (distance) C4'-P energy: -88.814 bonds (distance) P-C4' energy: -94.955 flat angles C4'-P-C4' energy: -79.029 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: 2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -433.435077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.435077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.435077 (E_RNA) where: Base-Base interactions energy: -146.161 where: short stacking energy: -120.726 Base-Backbone interact. energy: 5.669 local terms energy: -292.943728 where: bonds (distance) C4'-P energy: -92.833 bonds (distance) P-C4' energy: -108.548 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: 30.683 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: 296 Temperature: 0.900000 Total energy: -1804.048712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.048712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.048712 (E_RNA) where: Base-Base interactions energy: -1226.956 where: short stacking energy: -571.671 Base-Backbone interact. energy: -0.921 local terms energy: -576.171307 where: bonds (distance) C4'-P energy: -103.874 bonds (distance) P-C4' energy: -112.788 flat angles C4'-P-C4' energy: -130.098 flat angles P-C4'-P energy: -70.183 tors. eta vs tors. theta energy: -159.229 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: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1721.259223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.259223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.259223 (E_RNA) where: Base-Base interactions energy: -1157.846 where: short stacking energy: -522.947 Base-Backbone interact. energy: 0.361 local terms energy: -563.773991 where: bonds (distance) C4'-P energy: -104.692 bonds (distance) P-C4' energy: -105.655 flat angles C4'-P-C4' energy: -115.717 flat angles P-C4'-P energy: -87.398 tors. eta vs tors. theta energy: -150.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1635.419958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.419958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.419958 (E_RNA) where: Base-Base interactions energy: -1073.228 where: short stacking energy: -507.075 Base-Backbone interact. energy: -3.178 local terms energy: -559.013764 where: bonds (distance) C4'-P energy: -108.549 bonds (distance) P-C4' energy: -109.066 flat angles C4'-P-C4' energy: -124.908 flat angles P-C4'-P energy: -73.128 tors. eta vs tors. theta energy: -143.362 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: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1473.510955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.510955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.510955 (E_RNA) where: Base-Base interactions energy: -987.554 where: short stacking energy: -444.950 Base-Backbone interact. energy: 1.812 local terms energy: -487.768789 where: bonds (distance) C4'-P energy: -92.339 bonds (distance) P-C4' energy: -100.112 flat angles C4'-P-C4' energy: -100.209 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: -122.679 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: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1352.685499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.685499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.685499 (E_RNA) where: Base-Base interactions energy: -867.647 where: short stacking energy: -411.672 Base-Backbone interact. energy: 3.533 local terms energy: -488.571825 where: bonds (distance) C4'-P energy: -99.097 bonds (distance) P-C4' energy: -98.720 flat angles C4'-P-C4' energy: -112.034 flat angles P-C4'-P energy: -70.596 tors. eta vs tors. theta energy: -108.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1185.903984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.903984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.903984 (E_RNA) where: Base-Base interactions energy: -762.983 where: short stacking energy: -336.178 Base-Backbone interact. energy: -1.503 local terms energy: -421.417702 where: bonds (distance) C4'-P energy: -103.332 bonds (distance) P-C4' energy: -95.890 flat angles C4'-P-C4' energy: -90.304 flat angles P-C4'-P energy: -54.860 tors. eta vs tors. theta energy: -77.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -859.670885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.670885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.670885 (E_RNA) where: Base-Base interactions energy: -482.235 where: short stacking energy: -252.772 Base-Backbone interact. energy: -2.314 local terms energy: -375.122835 where: bonds (distance) C4'-P energy: -81.435 bonds (distance) P-C4' energy: -105.289 flat angles C4'-P-C4' energy: -85.962 flat angles P-C4'-P energy: -76.660 tors. eta vs tors. theta energy: -25.777 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: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -827.675910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.675910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.675910 (E_RNA) where: Base-Base interactions energy: -462.321 where: short stacking energy: -230.709 Base-Backbone interact. energy: -1.616 local terms energy: -363.738336 where: bonds (distance) C4'-P energy: -80.573 bonds (distance) P-C4' energy: -105.075 flat angles C4'-P-C4' energy: -78.464 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -38.490 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: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -558.723030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.723030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.723030 (E_RNA) where: Base-Base interactions energy: -264.391 where: short stacking energy: -157.739 Base-Backbone interact. energy: -1.587 local terms energy: -292.744527 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -107.214 flat angles C4'-P-C4' energy: -69.400 flat angles P-C4'-P energy: -43.512 tors. eta vs tors. theta energy: 4.112 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: 296 Temperature: 1.350000 Total energy: -425.686158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.686158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.686158 (E_RNA) where: Base-Base interactions energy: -166.781 where: short stacking energy: -133.928 Base-Backbone interact. energy: 6.948 local terms energy: -265.853444 where: bonds (distance) C4'-P energy: -97.563 bonds (distance) P-C4' energy: -84.608 flat angles C4'-P-C4' energy: -57.555 flat angles P-C4'-P energy: -42.372 tors. eta vs tors. theta energy: 16.244 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: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1798.165433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.165433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.165433 (E_RNA) where: Base-Base interactions energy: -1205.194 where: short stacking energy: -526.735 Base-Backbone interact. energy: 1.864 local terms energy: -594.835051 where: bonds (distance) C4'-P energy: -108.352 bonds (distance) P-C4' energy: -120.010 flat angles C4'-P-C4' energy: -126.581 flat angles P-C4'-P energy: -85.037 tors. eta vs tors. theta energy: -154.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1706.935001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.935001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.935001 (E_RNA) where: Base-Base interactions energy: -1140.613 where: short stacking energy: -525.529 Base-Backbone interact. energy: -3.428 local terms energy: -562.893815 where: bonds (distance) C4'-P energy: -93.286 bonds (distance) P-C4' energy: -110.815 flat angles C4'-P-C4' energy: -125.119 flat angles P-C4'-P energy: -84.891 tors. eta vs tors. theta energy: -148.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1610.697986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.697986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.697986 (E_RNA) where: Base-Base interactions energy: -1092.702 where: short stacking energy: -488.053 Base-Backbone interact. energy: -1.908 local terms energy: -516.087613 where: bonds (distance) C4'-P energy: -106.743 bonds (distance) P-C4' energy: -98.856 flat angles C4'-P-C4' energy: -108.093 flat angles P-C4'-P energy: -67.933 tors. eta vs tors. theta energy: -134.462 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: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1436.888175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.888175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.888175 (E_RNA) where: Base-Base interactions energy: -958.933 where: short stacking energy: -440.903 Base-Backbone interact. energy: -2.370 local terms energy: -475.584960 where: bonds (distance) C4'-P energy: -100.114 bonds (distance) P-C4' energy: -102.650 flat angles C4'-P-C4' energy: -98.839 flat angles P-C4'-P energy: -56.872 tors. eta vs tors. theta energy: -117.110 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: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1367.674185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.674185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.674185 (E_RNA) where: Base-Base interactions energy: -868.976 where: short stacking energy: -401.965 Base-Backbone interact. energy: -1.519 local terms energy: -497.179283 where: bonds (distance) C4'-P energy: -98.043 bonds (distance) P-C4' energy: -101.332 flat angles C4'-P-C4' energy: -110.009 flat angles P-C4'-P energy: -76.425 tors. eta vs tors. theta energy: -111.371 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: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1119.394748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.394748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.394748 (E_RNA) where: Base-Base interactions energy: -698.414 where: short stacking energy: -313.856 Base-Backbone interact. energy: -0.409 local terms energy: -420.571414 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -101.311 flat angles C4'-P-C4' energy: -94.241 flat angles P-C4'-P energy: -58.851 tors. eta vs tors. theta energy: -68.659 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: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -945.221882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.221882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.221882 (E_RNA) where: Base-Base interactions energy: -545.744 where: short stacking energy: -286.867 Base-Backbone interact. energy: 0.115 local terms energy: -399.593687 where: bonds (distance) C4'-P energy: -101.993 bonds (distance) P-C4' energy: -110.167 flat angles C4'-P-C4' energy: -89.001 flat angles P-C4'-P energy: -44.767 tors. eta vs tors. theta energy: -53.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -834.749579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.749579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.749579 (E_RNA) where: Base-Base interactions energy: -478.622 where: short stacking energy: -237.385 Base-Backbone interact. energy: -0.237 local terms energy: -355.890534 where: bonds (distance) C4'-P energy: -96.816 bonds (distance) P-C4' energy: -105.643 flat angles C4'-P-C4' energy: -74.480 flat angles P-C4'-P energy: -47.010 tors. eta vs tors. theta energy: -31.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -587.844969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.844969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.844969 (E_RNA) where: Base-Base interactions energy: -282.796 where: short stacking energy: -185.734 Base-Backbone interact. energy: 5.034 local terms energy: -310.083181 where: bonds (distance) C4'-P energy: -84.616 bonds (distance) P-C4' energy: -94.947 flat angles C4'-P-C4' energy: -79.570 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -482.409570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.409570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.409570 (E_RNA) where: Base-Base interactions energy: -197.008 where: short stacking energy: -129.870 Base-Backbone interact. energy: 3.563 local terms energy: -288.965279 where: bonds (distance) C4'-P energy: -81.528 bonds (distance) P-C4' energy: -107.991 flat angles C4'-P-C4' energy: -77.669 flat angles P-C4'-P energy: -45.331 tors. eta vs tors. theta energy: 23.554 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: 298 Temperature: 0.900000 Total energy: -1763.640117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.640117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.640117 (E_RNA) where: Base-Base interactions energy: -1185.253 where: short stacking energy: -539.499 Base-Backbone interact. energy: -2.704 local terms energy: -575.682324 where: bonds (distance) C4'-P energy: -104.387 bonds (distance) P-C4' energy: -101.441 flat angles C4'-P-C4' energy: -128.001 flat angles P-C4'-P energy: -83.466 tors. eta vs tors. theta energy: -158.388 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: 298 Temperature: 0.950000 Total energy: -1708.851036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.851036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.851036 (E_RNA) where: Base-Base interactions energy: -1136.099 where: short stacking energy: -507.136 Base-Backbone interact. energy: -3.891 local terms energy: -568.861691 where: bonds (distance) C4'-P energy: -91.739 bonds (distance) P-C4' energy: -109.062 flat angles C4'-P-C4' energy: -128.586 flat angles P-C4'-P energy: -87.033 tors. eta vs tors. theta energy: -152.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1612.328012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.328012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.328012 (E_RNA) where: Base-Base interactions energy: -1063.010 where: short stacking energy: -496.907 Base-Backbone interact. energy: -2.175 local terms energy: -547.143829 where: bonds (distance) C4'-P energy: -104.212 bonds (distance) P-C4' energy: -112.923 flat angles C4'-P-C4' energy: -117.353 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: -133.249 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: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1470.140259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.140259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.140259 (E_RNA) where: Base-Base interactions energy: -969.436 where: short stacking energy: -413.100 Base-Backbone interact. energy: -3.697 local terms energy: -497.007564 where: bonds (distance) C4'-P energy: -100.272 bonds (distance) P-C4' energy: -99.781 flat angles C4'-P-C4' energy: -113.852 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -105.824 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: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1373.465290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.465290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.465290 (E_RNA) where: Base-Base interactions energy: -877.624 where: short stacking energy: -409.119 Base-Backbone interact. energy: -1.033 local terms energy: -494.808593 where: bonds (distance) C4'-P energy: -98.406 bonds (distance) P-C4' energy: -89.119 flat angles C4'-P-C4' energy: -118.207 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -113.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1135.088485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.088485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.088485 (E_RNA) where: Base-Base interactions energy: -734.608 where: short stacking energy: -334.424 Base-Backbone interact. energy: 4.195 local terms energy: -404.675866 where: bonds (distance) C4'-P energy: -89.167 bonds (distance) P-C4' energy: -88.410 flat angles C4'-P-C4' energy: -101.045 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -78.757 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: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -979.994815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.994815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.994815 (E_RNA) where: Base-Base interactions energy: -591.860 where: short stacking energy: -276.011 Base-Backbone interact. energy: 3.265 local terms energy: -391.399812 where: bonds (distance) C4'-P energy: -104.575 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -94.037 flat angles P-C4'-P energy: -61.680 tors. eta vs tors. theta energy: -35.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -858.705673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.705673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.705673 (E_RNA) where: Base-Base interactions energy: -501.554 where: short stacking energy: -236.465 Base-Backbone interact. energy: -0.539 local terms energy: -356.612626 where: bonds (distance) C4'-P energy: -88.254 bonds (distance) P-C4' energy: -101.830 flat angles C4'-P-C4' energy: -94.473 flat angles P-C4'-P energy: -49.581 tors. eta vs tors. theta energy: -22.474 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: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -520.186073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.186073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.186073 (E_RNA) where: Base-Base interactions energy: -200.925 where: short stacking energy: -132.085 Base-Backbone interact. energy: 1.705 local terms energy: -320.966589 where: bonds (distance) C4'-P energy: -90.904 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -76.760 flat angles P-C4'-P energy: -68.033 tors. eta vs tors. theta energy: 6.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -531.589192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.589192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.589192 (E_RNA) where: Base-Base interactions energy: -241.304 where: short stacking energy: -157.081 Base-Backbone interact. energy: 0.829 local terms energy: -291.114407 where: bonds (distance) C4'-P energy: -75.848 bonds (distance) P-C4' energy: -88.594 flat angles C4'-P-C4' energy: -77.480 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: 0.557 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: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1772.687138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.687138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.687138 (E_RNA) where: Base-Base interactions energy: -1182.143 where: short stacking energy: -529.208 Base-Backbone interact. energy: 2.307 local terms energy: -592.851900 where: bonds (distance) C4'-P energy: -113.433 bonds (distance) P-C4' energy: -110.022 flat angles C4'-P-C4' energy: -123.188 flat angles P-C4'-P energy: -88.070 tors. eta vs tors. theta energy: -158.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1707.254499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.254499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.254499 (E_RNA) where: Base-Base interactions energy: -1153.178 where: short stacking energy: -514.627 Base-Backbone interact. energy: -3.121 local terms energy: -550.955526 where: bonds (distance) C4'-P energy: -102.145 bonds (distance) P-C4' energy: -113.295 flat angles C4'-P-C4' energy: -121.207 flat angles P-C4'-P energy: -70.295 tors. eta vs tors. theta energy: -144.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1620.615804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.615804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.615804 (E_RNA) where: Base-Base interactions energy: -1081.915 where: short stacking energy: -489.860 Base-Backbone interact. energy: 0.618 local terms energy: -539.319120 where: bonds (distance) C4'-P energy: -107.563 bonds (distance) P-C4' energy: -93.281 flat angles C4'-P-C4' energy: -120.501 flat angles P-C4'-P energy: -78.726 tors. eta vs tors. theta energy: -139.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1429.667738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.667738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.667738 (E_RNA) where: Base-Base interactions energy: -926.275 where: short stacking energy: -433.936 Base-Backbone interact. energy: -1.942 local terms energy: -501.450815 where: bonds (distance) C4'-P energy: -95.840 bonds (distance) P-C4' energy: -100.916 flat angles C4'-P-C4' energy: -112.947 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -109.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1356.208689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.208689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.208689 (E_RNA) where: Base-Base interactions energy: -901.103 where: short stacking energy: -419.761 Base-Backbone interact. energy: 2.184 local terms energy: -457.289264 where: bonds (distance) C4'-P energy: -77.056 bonds (distance) P-C4' energy: -93.694 flat angles C4'-P-C4' energy: -109.520 flat angles P-C4'-P energy: -71.748 tors. eta vs tors. theta energy: -105.271 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: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1124.213957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.213957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.213957 (E_RNA) where: Base-Base interactions energy: -735.126 where: short stacking energy: -330.586 Base-Backbone interact. energy: 0.139 local terms energy: -389.226621 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -88.288 flat angles C4'-P-C4' energy: -108.679 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -57.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -997.229659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.229659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.229659 (E_RNA) where: Base-Base interactions energy: -598.993 where: short stacking energy: -308.604 Base-Backbone interact. energy: -0.639 local terms energy: -397.597082 where: bonds (distance) C4'-P energy: -81.906 bonds (distance) P-C4' energy: -99.984 flat angles C4'-P-C4' energy: -98.251 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -55.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -828.063127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.063127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.063127 (E_RNA) where: Base-Base interactions energy: -467.528 where: short stacking energy: -227.360 Base-Backbone interact. energy: 4.203 local terms energy: -364.738364 where: bonds (distance) C4'-P energy: -90.604 bonds (distance) P-C4' energy: -96.620 flat angles C4'-P-C4' energy: -89.770 flat angles P-C4'-P energy: -66.240 tors. eta vs tors. theta energy: -21.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -518.539802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.539802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.539802 (E_RNA) where: Base-Base interactions energy: -206.047 where: short stacking energy: -133.328 Base-Backbone interact. energy: 1.121 local terms energy: -313.613611 where: bonds (distance) C4'-P energy: -100.157 bonds (distance) P-C4' energy: -97.340 flat angles C4'-P-C4' energy: -83.885 flat angles P-C4'-P energy: -48.333 tors. eta vs tors. theta energy: 16.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -512.305893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.305893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.305893 (E_RNA) where: Base-Base interactions energy: -219.090 where: short stacking energy: -147.131 Base-Backbone interact. energy: -0.205 local terms energy: -293.011283 where: bonds (distance) C4'-P energy: -83.563 bonds (distance) P-C4' energy: -99.682 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -37.961 tors. eta vs tors. theta energy: 13.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1775.408643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.408643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.408643 (E_RNA) where: Base-Base interactions energy: -1204.431 where: short stacking energy: -548.336 Base-Backbone interact. energy: -2.210 local terms energy: -568.767675 where: bonds (distance) C4'-P energy: -102.146 bonds (distance) P-C4' energy: -112.358 flat angles C4'-P-C4' energy: -115.816 flat angles P-C4'-P energy: -82.017 tors. eta vs tors. theta energy: -156.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1685.536310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.536310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.536310 (E_RNA) where: Base-Base interactions energy: -1117.392 where: short stacking energy: -503.999 Base-Backbone interact. energy: -3.408 local terms energy: -564.736384 where: bonds (distance) C4'-P energy: -105.004 bonds (distance) P-C4' energy: -110.395 flat angles C4'-P-C4' energy: -125.413 flat angles P-C4'-P energy: -76.409 tors. eta vs tors. theta energy: -147.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1613.448592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.448592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.448592 (E_RNA) where: Base-Base interactions energy: -1075.010 where: short stacking energy: -491.521 Base-Backbone interact. energy: -1.284 local terms energy: -537.154596 where: bonds (distance) C4'-P energy: -95.618 bonds (distance) P-C4' energy: -97.778 flat angles C4'-P-C4' energy: -117.403 flat angles P-C4'-P energy: -82.917 tors. eta vs tors. theta energy: -143.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1473.319140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.319140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.319140 (E_RNA) where: Base-Base interactions energy: -952.971 where: short stacking energy: -436.270 Base-Backbone interact. energy: -1.986 local terms energy: -518.361746 where: bonds (distance) C4'-P energy: -105.308 bonds (distance) P-C4' energy: -93.885 flat angles C4'-P-C4' energy: -120.896 flat angles P-C4'-P energy: -75.048 tors. eta vs tors. theta energy: -123.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1366.085300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.085300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.085300 (E_RNA) where: Base-Base interactions energy: -885.375 where: short stacking energy: -406.012 Base-Backbone interact. energy: -0.013 local terms energy: -480.697222 where: bonds (distance) C4'-P energy: -103.507 bonds (distance) P-C4' energy: -112.654 flat angles C4'-P-C4' energy: -111.329 flat angles P-C4'-P energy: -58.127 tors. eta vs tors. theta energy: -95.080 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: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1158.547404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.547404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.547404 (E_RNA) where: Base-Base interactions energy: -728.847 where: short stacking energy: -310.830 Base-Backbone interact. energy: -0.266 local terms energy: -429.434625 where: bonds (distance) C4'-P energy: -94.203 bonds (distance) P-C4' energy: -102.394 flat angles C4'-P-C4' energy: -107.335 flat angles P-C4'-P energy: -61.743 tors. eta vs tors. theta energy: -63.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1013.747767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.747767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.747767 (E_RNA) where: Base-Base interactions energy: -627.792 where: short stacking energy: -276.800 Base-Backbone interact. energy: 0.488 local terms energy: -386.443729 where: bonds (distance) C4'-P energy: -105.470 bonds (distance) P-C4' energy: -88.875 flat angles C4'-P-C4' energy: -83.310 flat angles P-C4'-P energy: -51.809 tors. eta vs tors. theta energy: -56.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -807.670926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.670926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.670926 (E_RNA) where: Base-Base interactions energy: -432.502 where: short stacking energy: -214.230 Base-Backbone interact. energy: -1.461 local terms energy: -373.707895 where: bonds (distance) C4'-P energy: -103.376 bonds (distance) P-C4' energy: -113.666 flat angles C4'-P-C4' energy: -74.078 flat angles P-C4'-P energy: -66.803 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: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -602.246565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.246565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.246565 (E_RNA) where: Base-Base interactions energy: -307.334 where: short stacking energy: -171.831 Base-Backbone interact. energy: -0.465 local terms energy: -294.448058 where: bonds (distance) C4'-P energy: -83.648 bonds (distance) P-C4' energy: -91.381 flat angles C4'-P-C4' energy: -76.012 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: 1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -422.045604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.045604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.045604 (E_RNA) where: Base-Base interactions energy: -174.344 where: short stacking energy: -127.384 Base-Backbone interact. energy: 1.867 local terms energy: -249.568861 where: bonds (distance) C4'-P energy: -80.477 bonds (distance) P-C4' energy: -83.839 flat angles C4'-P-C4' energy: -72.209 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: 22.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1824.930544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.930544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.930544 (E_RNA) where: Base-Base interactions energy: -1233.665 where: short stacking energy: -536.775 Base-Backbone interact. energy: 0.839 local terms energy: -592.104991 where: bonds (distance) C4'-P energy: -111.503 bonds (distance) P-C4' energy: -116.720 flat angles C4'-P-C4' energy: -127.061 flat angles P-C4'-P energy: -77.588 tors. eta vs tors. theta energy: -159.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1705.650408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.650408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.650408 (E_RNA) where: Base-Base interactions energy: -1162.885 where: short stacking energy: -524.175 Base-Backbone interact. energy: -0.430 local terms energy: -542.335300 where: bonds (distance) C4'-P energy: -103.674 bonds (distance) P-C4' energy: -96.258 flat angles C4'-P-C4' energy: -111.838 flat angles P-C4'-P energy: -84.532 tors. eta vs tors. theta energy: -146.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1645.865333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.865333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.865333 (E_RNA) where: Base-Base interactions energy: -1079.421 where: short stacking energy: -510.095 Base-Backbone interact. energy: -0.946 local terms energy: -565.498299 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -107.935 flat angles C4'-P-C4' energy: -116.170 flat angles P-C4'-P energy: -86.605 tors. eta vs tors. theta energy: -144.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1432.678255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.678255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.678255 (E_RNA) where: Base-Base interactions energy: -933.280 where: short stacking energy: -428.229 Base-Backbone interact. energy: -1.800 local terms energy: -497.598097 where: bonds (distance) C4'-P energy: -105.178 bonds (distance) P-C4' energy: -113.503 flat angles C4'-P-C4' energy: -102.548 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -105.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1337.990102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.990102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.990102 (E_RNA) where: Base-Base interactions energy: -894.360 where: short stacking energy: -374.100 Base-Backbone interact. energy: 3.792 local terms energy: -447.422281 where: bonds (distance) C4'-P energy: -92.352 bonds (distance) P-C4' energy: -96.266 flat angles C4'-P-C4' energy: -101.238 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: -88.315 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: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1170.062597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.062597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.062597 (E_RNA) where: Base-Base interactions energy: -738.659 where: short stacking energy: -356.489 Base-Backbone interact. energy: -1.276 local terms energy: -430.127869 where: bonds (distance) C4'-P energy: -96.346 bonds (distance) P-C4' energy: -91.790 flat angles C4'-P-C4' energy: -99.281 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -87.344 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: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -983.961165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.961165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.961165 (E_RNA) where: Base-Base interactions energy: -599.204 where: short stacking energy: -280.002 Base-Backbone interact. energy: -0.092 local terms energy: -384.665364 where: bonds (distance) C4'-P energy: -97.170 bonds (distance) P-C4' energy: -94.662 flat angles C4'-P-C4' energy: -92.623 flat angles P-C4'-P energy: -46.275 tors. eta vs tors. theta energy: -53.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -815.128909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.128909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.128909 (E_RNA) where: Base-Base interactions energy: -457.090 where: short stacking energy: -219.158 Base-Backbone interact. energy: -0.790 local terms energy: -357.248650 where: bonds (distance) C4'-P energy: -93.964 bonds (distance) P-C4' energy: -96.675 flat angles C4'-P-C4' energy: -97.822 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -15.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -610.935031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.935031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.935031 (E_RNA) where: Base-Base interactions energy: -298.575 where: short stacking energy: -179.057 Base-Backbone interact. energy: -1.725 local terms energy: -310.635709 where: bonds (distance) C4'-P energy: -75.364 bonds (distance) P-C4' energy: -102.166 flat angles C4'-P-C4' energy: -92.895 flat angles P-C4'-P energy: -48.269 tors. eta vs tors. theta energy: 8.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -417.260404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.260404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.260404 (E_RNA) where: Base-Base interactions energy: -149.159 where: short stacking energy: -118.469 Base-Backbone interact. energy: 6.193 local terms energy: -274.293883 where: bonds (distance) C4'-P energy: -63.476 bonds (distance) P-C4' energy: -91.247 flat angles C4'-P-C4' energy: -88.291 flat angles P-C4'-P energy: -35.131 tors. eta vs tors. theta energy: 3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1813.588711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.588711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.588711 (E_RNA) where: Base-Base interactions energy: -1226.277 where: short stacking energy: -550.332 Base-Backbone interact. energy: 0.078 local terms energy: -587.389934 where: bonds (distance) C4'-P energy: -110.532 bonds (distance) P-C4' energy: -119.049 flat angles C4'-P-C4' energy: -115.127 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -165.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1719.041239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.041239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.041239 (E_RNA) where: Base-Base interactions energy: -1171.287 where: short stacking energy: -533.776 Base-Backbone interact. energy: -2.628 local terms energy: -545.126680 where: bonds (distance) C4'-P energy: -103.889 bonds (distance) P-C4' energy: -101.361 flat angles C4'-P-C4' energy: -126.380 flat angles P-C4'-P energy: -70.150 tors. eta vs tors. theta energy: -143.347 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: 302 Temperature: 1.000000 Total energy: -1624.231910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.231910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.231910 (E_RNA) where: Base-Base interactions energy: -1071.233 where: short stacking energy: -491.943 Base-Backbone interact. energy: 0.082 local terms energy: -553.081519 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -99.304 flat angles C4'-P-C4' energy: -125.041 flat angles P-C4'-P energy: -79.914 tors. eta vs tors. theta energy: -147.604 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: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1425.523032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.523032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.523032 (E_RNA) where: Base-Base interactions energy: -950.894 where: short stacking energy: -460.735 Base-Backbone interact. energy: -0.528 local terms energy: -474.101105 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -87.871 flat angles C4'-P-C4' energy: -104.524 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -115.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1328.893534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.893534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.893534 (E_RNA) where: Base-Base interactions energy: -884.080 where: short stacking energy: -369.913 Base-Backbone interact. energy: -4.128 local terms energy: -440.685546 where: bonds (distance) C4'-P energy: -98.377 bonds (distance) P-C4' energy: -91.809 flat angles C4'-P-C4' energy: -104.448 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -94.361 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: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1211.592108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.592108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.592108 (E_RNA) where: Base-Base interactions energy: -777.139 where: short stacking energy: -353.395 Base-Backbone interact. energy: -1.181 local terms energy: -433.271678 where: bonds (distance) C4'-P energy: -103.252 bonds (distance) P-C4' energy: -82.855 flat angles C4'-P-C4' energy: -92.517 flat angles P-C4'-P energy: -66.357 tors. eta vs tors. theta energy: -88.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1005.893946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.893946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.893946 (E_RNA) where: Base-Base interactions energy: -599.980 where: short stacking energy: -289.627 Base-Backbone interact. energy: -2.846 local terms energy: -403.068262 where: bonds (distance) C4'-P energy: -98.480 bonds (distance) P-C4' energy: -94.468 flat angles C4'-P-C4' energy: -84.854 flat angles P-C4'-P energy: -60.355 tors. eta vs tors. theta energy: -64.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -818.566112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.566112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.566112 (E_RNA) where: Base-Base interactions energy: -454.925 where: short stacking energy: -237.627 Base-Backbone interact. energy: -2.597 local terms energy: -361.043627 where: bonds (distance) C4'-P energy: -95.636 bonds (distance) P-C4' energy: -93.705 flat angles C4'-P-C4' energy: -83.319 flat angles P-C4'-P energy: -58.841 tors. eta vs tors. theta energy: -29.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -529.808130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.808130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.808130 (E_RNA) where: Base-Base interactions energy: -227.390 where: short stacking energy: -163.241 Base-Backbone interact. energy: 4.176 local terms energy: -306.593912 where: bonds (distance) C4'-P energy: -83.332 bonds (distance) P-C4' energy: -93.765 flat angles C4'-P-C4' energy: -86.846 flat angles P-C4'-P energy: -51.713 tors. eta vs tors. theta energy: 9.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -425.682802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.682802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.682802 (E_RNA) where: Base-Base interactions energy: -135.845 where: short stacking energy: -114.246 Base-Backbone interact. energy: 9.322 local terms energy: -299.159914 where: bonds (distance) C4'-P energy: -101.423 bonds (distance) P-C4' energy: -107.012 flat angles C4'-P-C4' energy: -71.557 flat angles P-C4'-P energy: -50.246 tors. eta vs tors. theta energy: 31.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1819.209310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.209310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.209310 (E_RNA) where: Base-Base interactions energy: -1217.373 where: short stacking energy: -542.982 Base-Backbone interact. energy: 2.534 local terms energy: -604.371018 where: bonds (distance) C4'-P energy: -107.396 bonds (distance) P-C4' energy: -126.295 flat angles C4'-P-C4' energy: -122.137 flat angles P-C4'-P energy: -85.903 tors. eta vs tors. theta energy: -162.641 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: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1696.345425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.345425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.345425 (E_RNA) where: Base-Base interactions energy: -1155.994 where: short stacking energy: -513.597 Base-Backbone interact. energy: -1.991 local terms energy: -538.360427 where: bonds (distance) C4'-P energy: -98.319 bonds (distance) P-C4' energy: -91.643 flat angles C4'-P-C4' energy: -124.136 flat angles P-C4'-P energy: -83.558 tors. eta vs tors. theta energy: -140.704 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: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1621.715607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.715607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.715607 (E_RNA) where: Base-Base interactions energy: -1056.003 where: short stacking energy: -473.578 Base-Backbone interact. energy: -0.722 local terms energy: -564.989846 where: bonds (distance) C4'-P energy: -111.550 bonds (distance) P-C4' energy: -110.101 flat angles C4'-P-C4' energy: -129.244 flat angles P-C4'-P energy: -80.343 tors. eta vs tors. theta energy: -133.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1421.071832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.071832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.071832 (E_RNA) where: Base-Base interactions energy: -928.809 where: short stacking energy: -431.383 Base-Backbone interact. energy: -0.330 local terms energy: -491.932390 where: bonds (distance) C4'-P energy: -90.523 bonds (distance) P-C4' energy: -105.815 flat angles C4'-P-C4' energy: -115.581 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -102.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1302.995583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.995583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.995583 (E_RNA) where: Base-Base interactions energy: -843.036 where: short stacking energy: -374.522 Base-Backbone interact. energy: -3.497 local terms energy: -456.462847 where: bonds (distance) C4'-P energy: -92.263 bonds (distance) P-C4' energy: -113.755 flat angles C4'-P-C4' energy: -93.232 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: -88.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1144.141569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.141569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.141569 (E_RNA) where: Base-Base interactions energy: -720.216 where: short stacking energy: -326.223 Base-Backbone interact. energy: -0.111 local terms energy: -423.814720 where: bonds (distance) C4'-P energy: -89.194 bonds (distance) P-C4' energy: -103.131 flat angles C4'-P-C4' energy: -96.725 flat angles P-C4'-P energy: -61.040 tors. eta vs tors. theta energy: -73.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -956.365546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.365546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.365546 (E_RNA) where: Base-Base interactions energy: -565.896 where: short stacking energy: -288.006 Base-Backbone interact. energy: -0.460 local terms energy: -390.009226 where: bonds (distance) C4'-P energy: -89.541 bonds (distance) P-C4' energy: -89.365 flat angles C4'-P-C4' energy: -97.070 flat angles P-C4'-P energy: -57.207 tors. eta vs tors. theta energy: -56.826 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: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -806.498189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.498189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.498189 (E_RNA) where: Base-Base interactions energy: -437.285 where: short stacking energy: -220.566 Base-Backbone interact. energy: -0.847 local terms energy: -368.365930 where: bonds (distance) C4'-P energy: -90.720 bonds (distance) P-C4' energy: -93.217 flat angles C4'-P-C4' energy: -98.482 flat angles P-C4'-P energy: -63.566 tors. eta vs tors. theta energy: -22.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -540.395360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.395360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.395360 (E_RNA) where: Base-Base interactions energy: -259.920 where: short stacking energy: -160.224 Base-Backbone interact. energy: 1.004 local terms energy: -281.478997 where: bonds (distance) C4'-P energy: -75.478 bonds (distance) P-C4' energy: -92.370 flat angles C4'-P-C4' energy: -70.037 flat angles P-C4'-P energy: -51.668 tors. eta vs tors. theta energy: 8.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -423.072444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.072444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.072444 (E_RNA) where: Base-Base interactions energy: -150.428 where: short stacking energy: -119.714 Base-Backbone interact. energy: 1.695 local terms energy: -274.339477 where: bonds (distance) C4'-P energy: -88.942 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -76.843 flat angles P-C4'-P energy: -41.683 tors. eta vs tors. theta energy: 36.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1762.666941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.666941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.666941 (E_RNA) where: Base-Base interactions energy: -1182.653 where: short stacking energy: -540.135 Base-Backbone interact. energy: -3.183 local terms energy: -576.830696 where: bonds (distance) C4'-P energy: -102.629 bonds (distance) P-C4' energy: -116.645 flat angles C4'-P-C4' energy: -121.803 flat angles P-C4'-P energy: -77.826 tors. eta vs tors. theta energy: -157.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1669.340631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.340631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.340631 (E_RNA) where: Base-Base interactions energy: -1109.782 where: short stacking energy: -493.934 Base-Backbone interact. energy: -0.765 local terms energy: -558.793559 where: bonds (distance) C4'-P energy: -102.955 bonds (distance) P-C4' energy: -115.976 flat angles C4'-P-C4' energy: -119.887 flat angles P-C4'-P energy: -82.567 tors. eta vs tors. theta energy: -137.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1619.022382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.022382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.022382 (E_RNA) where: Base-Base interactions energy: -1109.332 where: short stacking energy: -486.699 Base-Backbone interact. energy: -0.893 local terms energy: -508.797264 where: bonds (distance) C4'-P energy: -94.301 bonds (distance) P-C4' energy: -97.486 flat angles C4'-P-C4' energy: -126.873 flat angles P-C4'-P energy: -59.657 tors. eta vs tors. theta energy: -130.480 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: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1440.811270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.811270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.811270 (E_RNA) where: Base-Base interactions energy: -924.989 where: short stacking energy: -448.196 Base-Backbone interact. energy: -1.466 local terms energy: -514.356335 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -110.505 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -131.148 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: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1217.534124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.534124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.534124 (E_RNA) where: Base-Base interactions energy: -756.910 where: short stacking energy: -361.214 Base-Backbone interact. energy: -0.872 local terms energy: -459.751546 where: bonds (distance) C4'-P energy: -102.883 bonds (distance) P-C4' energy: -110.888 flat angles C4'-P-C4' energy: -103.479 flat angles P-C4'-P energy: -64.347 tors. eta vs tors. theta energy: -78.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1282.762425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.762425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.762425 (E_RNA) where: Base-Base interactions energy: -828.292 where: short stacking energy: -383.634 Base-Backbone interact. energy: -4.322 local terms energy: -450.148175 where: bonds (distance) C4'-P energy: -95.362 bonds (distance) P-C4' energy: -100.483 flat angles C4'-P-C4' energy: -102.537 flat angles P-C4'-P energy: -58.126 tors. eta vs tors. theta energy: -93.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -991.867382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.867382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.867382 (E_RNA) where: Base-Base interactions energy: -609.569 where: short stacking energy: -286.702 Base-Backbone interact. energy: -3.761 local terms energy: -378.537087 where: bonds (distance) C4'-P energy: -70.997 bonds (distance) P-C4' energy: -110.902 flat angles C4'-P-C4' energy: -85.816 flat angles P-C4'-P energy: -55.478 tors. eta vs tors. theta energy: -55.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -792.876365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.876365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.876365 (E_RNA) where: Base-Base interactions energy: -449.774 where: short stacking energy: -219.746 Base-Backbone interact. energy: 6.546 local terms energy: -349.649160 where: bonds (distance) C4'-P energy: -88.277 bonds (distance) P-C4' energy: -100.869 flat angles C4'-P-C4' energy: -86.502 flat angles P-C4'-P energy: -55.078 tors. eta vs tors. theta energy: -18.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -601.523201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.523201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.523201 (E_RNA) where: Base-Base interactions energy: -273.445 where: short stacking energy: -188.121 Base-Backbone interact. energy: -1.144 local terms energy: -326.933481 where: bonds (distance) C4'-P energy: -80.544 bonds (distance) P-C4' energy: -102.094 flat angles C4'-P-C4' energy: -83.304 flat angles P-C4'-P energy: -54.060 tors. eta vs tors. theta energy: -6.931 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: 304 Temperature: 1.350000 Total energy: -428.205082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.205082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.205082 (E_RNA) where: Base-Base interactions energy: -150.023 where: short stacking energy: -119.258 Base-Backbone interact. energy: -1.545 local terms energy: -276.637237 where: bonds (distance) C4'-P energy: -81.297 bonds (distance) P-C4' energy: -109.203 flat angles C4'-P-C4' energy: -69.812 flat angles P-C4'-P energy: -33.691 tors. eta vs tors. theta energy: 17.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1805.661203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.661203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.661203 (E_RNA) where: Base-Base interactions energy: -1200.520 where: short stacking energy: -544.095 Base-Backbone interact. energy: -3.766 local terms energy: -601.375489 where: bonds (distance) C4'-P energy: -109.658 bonds (distance) P-C4' energy: -118.930 flat angles C4'-P-C4' energy: -129.644 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -161.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1682.918357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.918357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.918357 (E_RNA) where: Base-Base interactions energy: -1131.796 where: short stacking energy: -529.881 Base-Backbone interact. energy: 0.327 local terms energy: -551.449330 where: bonds (distance) C4'-P energy: -107.560 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -113.114 flat angles P-C4'-P energy: -73.151 tors. eta vs tors. theta energy: -146.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1653.049797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.049797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.049797 (E_RNA) where: Base-Base interactions energy: -1138.849 where: short stacking energy: -492.536 Base-Backbone interact. energy: -0.010 local terms energy: -514.190312 where: bonds (distance) C4'-P energy: -92.744 bonds (distance) P-C4' energy: -107.816 flat angles C4'-P-C4' energy: -106.441 flat angles P-C4'-P energy: -71.137 tors. eta vs tors. theta energy: -136.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1431.504154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.504154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.504154 (E_RNA) where: Base-Base interactions energy: -931.173 where: short stacking energy: -419.003 Base-Backbone interact. energy: -2.620 local terms energy: -497.711750 where: bonds (distance) C4'-P energy: -99.971 bonds (distance) P-C4' energy: -105.933 flat angles C4'-P-C4' energy: -110.093 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -110.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1227.337018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.337018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.337018 (E_RNA) where: Base-Base interactions energy: -761.251 where: short stacking energy: -334.251 Base-Backbone interact. energy: -0.404 local terms energy: -465.681539 where: bonds (distance) C4'-P energy: -95.539 bonds (distance) P-C4' energy: -103.716 flat angles C4'-P-C4' energy: -106.489 flat angles P-C4'-P energy: -76.281 tors. eta vs tors. theta energy: -83.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1267.131629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.131629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.131629 (E_RNA) where: Base-Base interactions energy: -809.407 where: short stacking energy: -374.344 Base-Backbone interact. energy: -2.952 local terms energy: -454.772252 where: bonds (distance) C4'-P energy: -93.638 bonds (distance) P-C4' energy: -95.800 flat angles C4'-P-C4' energy: -101.292 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: -98.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -977.458541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.458541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.458541 (E_RNA) where: Base-Base interactions energy: -591.283 where: short stacking energy: -278.046 Base-Backbone interact. energy: -0.405 local terms energy: -385.770847 where: bonds (distance) C4'-P energy: -84.866 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -89.239 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -63.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -763.544588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.544588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.544588 (E_RNA) where: Base-Base interactions energy: -394.090 where: short stacking energy: -187.285 Base-Backbone interact. energy: -1.824 local terms energy: -367.629988 where: bonds (distance) C4'-P energy: -103.051 bonds (distance) P-C4' energy: -85.947 flat angles C4'-P-C4' energy: -99.402 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -15.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -584.143158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.143158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.143158 (E_RNA) where: Base-Base interactions energy: -279.105 where: short stacking energy: -185.885 Base-Backbone interact. energy: 0.457 local terms energy: -305.495098 where: bonds (distance) C4'-P energy: -84.437 bonds (distance) P-C4' energy: -79.402 flat angles C4'-P-C4' energy: -88.414 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -447.306726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.306726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.306726 (E_RNA) where: Base-Base interactions energy: -166.558 where: short stacking energy: -114.660 Base-Backbone interact. energy: -2.859 local terms energy: -277.889927 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -94.759 flat angles C4'-P-C4' energy: -82.251 flat angles P-C4'-P energy: -49.248 tors. eta vs tors. theta energy: 30.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1784.657165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.657165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.657165 (E_RNA) where: Base-Base interactions energy: -1199.763 where: short stacking energy: -560.871 Base-Backbone interact. energy: -2.974 local terms energy: -581.920544 where: bonds (distance) C4'-P energy: -109.010 bonds (distance) P-C4' energy: -108.657 flat angles C4'-P-C4' energy: -126.802 flat angles P-C4'-P energy: -83.412 tors. eta vs tors. theta energy: -154.039 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: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1687.374666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.374666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.374666 (E_RNA) where: Base-Base interactions energy: -1117.145 where: short stacking energy: -514.308 Base-Backbone interact. energy: -2.660 local terms energy: -567.569487 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -121.182 flat angles C4'-P-C4' energy: -116.566 flat angles P-C4'-P energy: -75.480 tors. eta vs tors. theta energy: -152.692 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: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1642.817558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.817558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.817558 (E_RNA) where: Base-Base interactions energy: -1100.086 where: short stacking energy: -491.371 Base-Backbone interact. energy: -4.311 local terms energy: -538.420611 where: bonds (distance) C4'-P energy: -92.859 bonds (distance) P-C4' energy: -107.774 flat angles C4'-P-C4' energy: -124.403 flat angles P-C4'-P energy: -78.916 tors. eta vs tors. theta energy: -134.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1433.231742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.231742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.231742 (E_RNA) where: Base-Base interactions energy: -937.498 where: short stacking energy: -452.984 Base-Backbone interact. energy: 0.353 local terms energy: -496.086780 where: bonds (distance) C4'-P energy: -96.241 bonds (distance) P-C4' energy: -101.449 flat angles C4'-P-C4' energy: -117.199 flat angles P-C4'-P energy: -75.644 tors. eta vs tors. theta energy: -105.554 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: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1286.207163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.207163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.207163 (E_RNA) where: Base-Base interactions energy: -845.464 where: short stacking energy: -353.364 Base-Backbone interact. energy: -3.358 local terms energy: -437.385102 where: bonds (distance) C4'-P energy: -96.774 bonds (distance) P-C4' energy: -87.150 flat angles C4'-P-C4' energy: -102.624 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -88.165 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: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1153.513293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.513293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.513293 (E_RNA) where: Base-Base interactions energy: -723.680 where: short stacking energy: -324.815 Base-Backbone interact. energy: -1.827 local terms energy: -428.005959 where: bonds (distance) C4'-P energy: -94.880 bonds (distance) P-C4' energy: -93.772 flat angles C4'-P-C4' energy: -100.115 flat angles P-C4'-P energy: -64.343 tors. eta vs tors. theta energy: -74.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1064.885524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.885524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.885524 (E_RNA) where: Base-Base interactions energy: -627.708 where: short stacking energy: -315.523 Base-Backbone interact. energy: -2.760 local terms energy: -434.417162 where: bonds (distance) C4'-P energy: -104.455 bonds (distance) P-C4' energy: -100.142 flat angles C4'-P-C4' energy: -104.199 flat angles P-C4'-P energy: -66.769 tors. eta vs tors. theta energy: -58.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -724.057456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.057456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.057456 (E_RNA) where: Base-Base interactions energy: -403.157 where: short stacking energy: -202.436 Base-Backbone interact. energy: -3.482 local terms energy: -317.418504 where: bonds (distance) C4'-P energy: -94.428 bonds (distance) P-C4' energy: -93.731 flat angles C4'-P-C4' energy: -64.898 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -5.845 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: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -556.411182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.411182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.411182 (E_RNA) where: Base-Base interactions energy: -277.167 where: short stacking energy: -181.105 Base-Backbone interact. energy: 3.580 local terms energy: -282.824178 where: bonds (distance) C4'-P energy: -85.828 bonds (distance) P-C4' energy: -77.905 flat angles C4'-P-C4' energy: -68.567 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: 0.024 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: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -439.890888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.890888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.890888 (E_RNA) where: Base-Base interactions energy: -161.580 where: short stacking energy: -139.157 Base-Backbone interact. energy: -1.962 local terms energy: -276.348515 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -83.772 flat angles C4'-P-C4' energy: -67.539 flat angles P-C4'-P energy: -38.423 tors. eta vs tors. theta energy: 13.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1800.859528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.859528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.859528 (E_RNA) where: Base-Base interactions energy: -1217.309 where: short stacking energy: -550.199 Base-Backbone interact. energy: 2.739 local terms energy: -586.289747 where: bonds (distance) C4'-P energy: -110.920 bonds (distance) P-C4' energy: -114.128 flat angles C4'-P-C4' energy: -121.863 flat angles P-C4'-P energy: -82.322 tors. eta vs tors. theta energy: -157.056 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: 307 Temperature: 0.950000 Total energy: -1714.352172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.352172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.352172 (E_RNA) where: Base-Base interactions energy: -1140.684 where: short stacking energy: -515.091 Base-Backbone interact. energy: 1.109 local terms energy: -574.777447 where: bonds (distance) C4'-P energy: -107.634 bonds (distance) P-C4' energy: -105.465 flat angles C4'-P-C4' energy: -128.526 flat angles P-C4'-P energy: -79.545 tors. eta vs tors. theta energy: -153.607 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: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1654.716071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.716071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.716071 (E_RNA) where: Base-Base interactions energy: -1095.063 where: short stacking energy: -499.223 Base-Backbone interact. energy: -2.767 local terms energy: -556.886531 where: bonds (distance) C4'-P energy: -116.502 bonds (distance) P-C4' energy: -114.950 flat angles C4'-P-C4' energy: -111.865 flat angles P-C4'-P energy: -91.401 tors. eta vs tors. theta energy: -122.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1406.656892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.656892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.656892 (E_RNA) where: Base-Base interactions energy: -924.584 where: short stacking energy: -406.292 Base-Backbone interact. energy: -1.181 local terms energy: -480.891800 where: bonds (distance) C4'-P energy: -96.614 bonds (distance) P-C4' energy: -106.822 flat angles C4'-P-C4' energy: -103.759 flat angles P-C4'-P energy: -71.271 tors. eta vs tors. theta energy: -102.425 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: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1306.385291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.385291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.385291 (E_RNA) where: Base-Base interactions energy: -845.296 where: short stacking energy: -380.654 Base-Backbone interact. energy: -4.037 local terms energy: -457.052380 where: bonds (distance) C4'-P energy: -109.655 bonds (distance) P-C4' energy: -84.617 flat angles C4'-P-C4' energy: -92.162 flat angles P-C4'-P energy: -69.109 tors. eta vs tors. theta energy: -101.510 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: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1068.471859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.471859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.471859 (E_RNA) where: Base-Base interactions energy: -669.453 where: short stacking energy: -327.810 Base-Backbone interact. energy: 1.198 local terms energy: -400.217171 where: bonds (distance) C4'-P energy: -95.446 bonds (distance) P-C4' energy: -104.358 flat angles C4'-P-C4' energy: -94.080 flat angles P-C4'-P energy: -56.613 tors. eta vs tors. theta energy: -49.720 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: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1126.082337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.082337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.082337 (E_RNA) where: Base-Base interactions energy: -708.850 where: short stacking energy: -316.663 Base-Backbone interact. energy: 6.454 local terms energy: -423.686793 where: bonds (distance) C4'-P energy: -90.299 bonds (distance) P-C4' energy: -102.748 flat angles C4'-P-C4' energy: -101.274 flat angles P-C4'-P energy: -57.254 tors. eta vs tors. theta energy: -72.112 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: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -815.907090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.907090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.907090 (E_RNA) where: Base-Base interactions energy: -433.705 where: short stacking energy: -243.354 Base-Backbone interact. energy: 2.911 local terms energy: -385.113107 where: bonds (distance) C4'-P energy: -87.341 bonds (distance) P-C4' energy: -98.997 flat angles C4'-P-C4' energy: -100.271 flat angles P-C4'-P energy: -57.394 tors. eta vs tors. theta energy: -41.111 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: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -576.920601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.920601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.920601 (E_RNA) where: Base-Base interactions energy: -271.566 where: short stacking energy: -169.417 Base-Backbone interact. energy: 1.211 local terms energy: -306.565740 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -91.534 flat angles C4'-P-C4' energy: -80.681 flat angles P-C4'-P energy: -27.847 tors. eta vs tors. theta energy: -4.274 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: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -473.933185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.933185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.933185 (E_RNA) where: Base-Base interactions energy: -178.820 where: short stacking energy: -145.716 Base-Backbone interact. energy: 3.897 local terms energy: -299.010334 where: bonds (distance) C4'-P energy: -97.598 bonds (distance) P-C4' energy: -89.830 flat angles C4'-P-C4' energy: -75.663 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: 11.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1817.895766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.895766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.895766 (E_RNA) where: Base-Base interactions energy: -1230.763 where: short stacking energy: -568.430 Base-Backbone interact. energy: -1.954 local terms energy: -585.178776 where: bonds (distance) C4'-P energy: -105.442 bonds (distance) P-C4' energy: -103.451 flat angles C4'-P-C4' energy: -129.557 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -167.411 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: 2, replica: 6 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1691.802583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.802583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.802583 (E_RNA) where: Base-Base interactions energy: -1141.023 where: short stacking energy: -492.833 Base-Backbone interact. energy: -4.203 local terms energy: -546.577000 where: bonds (distance) C4'-P energy: -103.462 bonds (distance) P-C4' energy: -103.229 flat angles C4'-P-C4' energy: -120.936 flat angles P-C4'-P energy: -82.584 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: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1622.723612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.723612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.723612 (E_RNA) where: Base-Base interactions energy: -1095.242 where: short stacking energy: -491.796 Base-Backbone interact. energy: 5.178 local terms energy: -532.660203 where: bonds (distance) C4'-P energy: -96.345 bonds (distance) P-C4' energy: -95.451 flat angles C4'-P-C4' energy: -121.911 flat angles P-C4'-P energy: -88.004 tors. eta vs tors. theta energy: -130.949 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: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1427.565413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.565413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.565413 (E_RNA) where: Base-Base interactions energy: -938.137 where: short stacking energy: -421.628 Base-Backbone interact. energy: -0.774 local terms energy: -488.654796 where: bonds (distance) C4'-P energy: -89.792 bonds (distance) P-C4' energy: -91.032 flat angles C4'-P-C4' energy: -106.855 flat angles P-C4'-P energy: -87.076 tors. eta vs tors. theta energy: -113.899 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: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1244.909167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.909167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.909167 (E_RNA) where: Base-Base interactions energy: -792.803 where: short stacking energy: -369.287 Base-Backbone interact. energy: -2.728 local terms energy: -449.378790 where: bonds (distance) C4'-P energy: -100.363 bonds (distance) P-C4' energy: -79.369 flat angles C4'-P-C4' energy: -108.395 flat angles P-C4'-P energy: -74.635 tors. eta vs tors. theta energy: -86.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1062.634884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.634884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.634884 (E_RNA) where: Base-Base interactions energy: -638.635 where: short stacking energy: -291.819 Base-Backbone interact. energy: -0.401 local terms energy: -423.598973 where: bonds (distance) C4'-P energy: -112.428 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -100.136 flat angles P-C4'-P energy: -59.913 tors. eta vs tors. theta energy: -57.541 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: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1193.681914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.681914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.681914 (E_RNA) where: Base-Base interactions energy: -740.661 where: short stacking energy: -347.285 Base-Backbone interact. energy: 2.687 local terms energy: -455.708207 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -99.636 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -78.934 tors. eta vs tors. theta energy: -89.133 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: 308 Temperature: 1.250000 Total energy: -832.747177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.747177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.747177 (E_RNA) where: Base-Base interactions energy: -470.600 where: short stacking energy: -263.747 Base-Backbone interact. energy: 0.104 local terms energy: -362.251972 where: bonds (distance) C4'-P energy: -83.488 bonds (distance) P-C4' energy: -98.299 flat angles C4'-P-C4' energy: -79.911 flat angles P-C4'-P energy: -57.774 tors. eta vs tors. theta energy: -42.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -519.316304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.316304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.316304 (E_RNA) where: Base-Base interactions energy: -241.916 where: short stacking energy: -172.071 Base-Backbone interact. energy: 4.977 local terms energy: -282.376631 where: bonds (distance) C4'-P energy: -94.457 bonds (distance) P-C4' energy: -100.171 flat angles C4'-P-C4' energy: -59.896 flat angles P-C4'-P energy: -28.490 tors. eta vs tors. theta energy: 0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -442.222113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.222113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.222113 (E_RNA) where: Base-Base interactions energy: -148.900 where: short stacking energy: -118.701 Base-Backbone interact. energy: -1.015 local terms energy: -292.307570 where: bonds (distance) C4'-P energy: -93.831 bonds (distance) P-C4' energy: -86.573 flat angles C4'-P-C4' energy: -72.594 flat angles P-C4'-P energy: -62.117 tors. eta vs tors. theta energy: 22.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1801.164750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.164750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.164750 (E_RNA) where: Base-Base interactions energy: -1219.118 where: short stacking energy: -523.090 Base-Backbone interact. energy: -2.085 local terms energy: -579.961042 where: bonds (distance) C4'-P energy: -117.029 bonds (distance) P-C4' energy: -110.807 flat angles C4'-P-C4' energy: -121.716 flat angles P-C4'-P energy: -72.643 tors. eta vs tors. theta energy: -157.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1709.265548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.265548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.265548 (E_RNA) where: Base-Base interactions energy: -1154.654 where: short stacking energy: -499.286 Base-Backbone interact. energy: -3.435 local terms energy: -551.176775 where: bonds (distance) C4'-P energy: -91.126 bonds (distance) P-C4' energy: -111.421 flat angles C4'-P-C4' energy: -119.504 flat angles P-C4'-P energy: -83.449 tors. eta vs tors. theta energy: -145.676 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: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1628.883632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.883632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.883632 (E_RNA) where: Base-Base interactions energy: -1124.193 where: short stacking energy: -487.726 Base-Backbone interact. energy: -1.840 local terms energy: -502.850757 where: bonds (distance) C4'-P energy: -90.941 bonds (distance) P-C4' energy: -98.785 flat angles C4'-P-C4' energy: -114.565 flat angles P-C4'-P energy: -67.465 tors. eta vs tors. theta energy: -131.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1472.160215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.160215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.160215 (E_RNA) where: Base-Base interactions energy: -956.010 where: short stacking energy: -437.697 Base-Backbone interact. energy: -0.941 local terms energy: -515.208618 where: bonds (distance) C4'-P energy: -90.641 bonds (distance) P-C4' energy: -114.378 flat angles C4'-P-C4' energy: -101.545 flat angles P-C4'-P energy: -86.929 tors. eta vs tors. theta energy: -121.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1300.915216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.915216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.915216 (E_RNA) where: Base-Base interactions energy: -843.596 where: short stacking energy: -353.141 Base-Backbone interact. energy: -2.163 local terms energy: -455.156239 where: bonds (distance) C4'-P energy: -91.946 bonds (distance) P-C4' energy: -111.206 flat angles C4'-P-C4' energy: -100.266 flat angles P-C4'-P energy: -69.471 tors. eta vs tors. theta energy: -82.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1230.838307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.838307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.838307 (E_RNA) where: Base-Base interactions energy: -787.930 where: short stacking energy: -387.186 Base-Backbone interact. energy: -3.117 local terms energy: -439.790612 where: bonds (distance) C4'-P energy: -71.774 bonds (distance) P-C4' energy: -76.788 flat angles C4'-P-C4' energy: -116.146 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: -98.190 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: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1005.549677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.549677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.549677 (E_RNA) where: Base-Base interactions energy: -632.358 where: short stacking energy: -282.698 Base-Backbone interact. energy: 2.466 local terms energy: -375.657075 where: bonds (distance) C4'-P energy: -88.251 bonds (distance) P-C4' energy: -90.795 flat angles C4'-P-C4' energy: -103.649 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: -47.763 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: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -788.425583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.425583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.425583 (E_RNA) where: Base-Base interactions energy: -470.860 where: short stacking energy: -224.093 Base-Backbone interact. energy: 1.650 local terms energy: -319.215400 where: bonds (distance) C4'-P energy: -81.964 bonds (distance) P-C4' energy: -95.627 flat angles C4'-P-C4' energy: -86.874 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -591.823710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.823710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.823710 (E_RNA) where: Base-Base interactions energy: -289.905 where: short stacking energy: -178.229 Base-Backbone interact. energy: 3.229 local terms energy: -305.147321 where: bonds (distance) C4'-P energy: -78.157 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -37.506 tors. eta vs tors. theta energy: 0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -478.273143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.273143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.273143 (E_RNA) where: Base-Base interactions energy: -195.670 where: short stacking energy: -142.771 Base-Backbone interact. energy: -3.484 local terms energy: -279.119128 where: bonds (distance) C4'-P energy: -71.156 bonds (distance) P-C4' energy: -97.109 flat angles C4'-P-C4' energy: -71.192 flat angles P-C4'-P energy: -42.322 tors. eta vs tors. theta energy: 2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1836.134561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.134561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.134561 (E_RNA) where: Base-Base interactions energy: -1255.591 where: short stacking energy: -582.301 Base-Backbone interact. energy: -1.298 local terms energy: -579.245833 where: bonds (distance) C4'-P energy: -101.621 bonds (distance) P-C4' energy: -112.925 flat angles C4'-P-C4' energy: -124.212 flat angles P-C4'-P energy: -85.369 tors. eta vs tors. theta energy: -155.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1723.568575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.568575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.568575 (E_RNA) where: Base-Base interactions energy: -1171.445 where: short stacking energy: -537.400 Base-Backbone interact. energy: 2.835 local terms energy: -554.958540 where: bonds (distance) C4'-P energy: -99.410 bonds (distance) P-C4' energy: -109.716 flat angles C4'-P-C4' energy: -123.159 flat angles P-C4'-P energy: -69.876 tors. eta vs tors. theta energy: -152.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1660.566690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.566690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.566690 (E_RNA) where: Base-Base interactions energy: -1132.191 where: short stacking energy: -503.613 Base-Backbone interact. energy: -3.711 local terms energy: -524.664814 where: bonds (distance) C4'-P energy: -108.951 bonds (distance) P-C4' energy: -99.248 flat angles C4'-P-C4' energy: -116.307 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: -135.425 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: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1464.220595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.220595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.220595 (E_RNA) where: Base-Base interactions energy: -971.990 where: short stacking energy: -452.557 Base-Backbone interact. energy: -2.512 local terms energy: -489.718958 where: bonds (distance) C4'-P energy: -97.829 bonds (distance) P-C4' energy: -92.727 flat angles C4'-P-C4' energy: -102.481 flat angles P-C4'-P energy: -65.354 tors. eta vs tors. theta energy: -131.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1293.184442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.184442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.184442 (E_RNA) where: Base-Base interactions energy: -824.442 where: short stacking energy: -349.562 Base-Backbone interact. energy: -5.518 local terms energy: -463.224956 where: bonds (distance) C4'-P energy: -83.718 bonds (distance) P-C4' energy: -115.460 flat angles C4'-P-C4' energy: -110.322 flat angles P-C4'-P energy: -75.841 tors. eta vs tors. theta energy: -77.884 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: 310 Temperature: 1.150000 Total energy: -1229.631542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.631542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.631542 (E_RNA) where: Base-Base interactions energy: -776.057 where: short stacking energy: -340.577 Base-Backbone interact. energy: -3.076 local terms energy: -450.498246 where: bonds (distance) C4'-P energy: -89.749 bonds (distance) P-C4' energy: -99.773 flat angles C4'-P-C4' energy: -108.392 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -83.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1026.486774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.486774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.486774 (E_RNA) where: Base-Base interactions energy: -614.641 where: short stacking energy: -300.771 Base-Backbone interact. energy: -1.591 local terms energy: -410.254360 where: bonds (distance) C4'-P energy: -101.494 bonds (distance) P-C4' energy: -88.521 flat angles C4'-P-C4' energy: -112.820 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -68.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -801.306153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.306153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.306153 (E_RNA) where: Base-Base interactions energy: -483.084 where: short stacking energy: -260.111 Base-Backbone interact. energy: 0.478 local terms energy: -318.700885 where: bonds (distance) C4'-P energy: -87.882 bonds (distance) P-C4' energy: -82.632 flat angles C4'-P-C4' energy: -82.456 flat angles P-C4'-P energy: -40.704 tors. eta vs tors. theta energy: -25.027 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: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -568.601257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.601257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.601257 (E_RNA) where: Base-Base interactions energy: -288.531 where: short stacking energy: -180.929 Base-Backbone interact. energy: -3.731 local terms energy: -276.339422 where: bonds (distance) C4'-P energy: -68.119 bonds (distance) P-C4' energy: -94.945 flat angles C4'-P-C4' energy: -77.983 flat angles P-C4'-P energy: -29.340 tors. eta vs tors. theta energy: -5.953 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: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -441.146529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.146529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.146529 (E_RNA) where: Base-Base interactions energy: -183.662 where: short stacking energy: -155.465 Base-Backbone interact. energy: 0.689 local terms energy: -258.172995 where: bonds (distance) C4'-P energy: -92.503 bonds (distance) P-C4' energy: -94.266 flat angles C4'-P-C4' energy: -51.048 flat angles P-C4'-P energy: -20.609 tors. eta vs tors. theta energy: 0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1812.257807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.257807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.257807 (E_RNA) where: Base-Base interactions energy: -1219.234 where: short stacking energy: -562.638 Base-Backbone interact. energy: -2.113 local terms energy: -590.910718 where: bonds (distance) C4'-P energy: -103.341 bonds (distance) P-C4' energy: -116.677 flat angles C4'-P-C4' energy: -123.836 flat angles P-C4'-P energy: -89.130 tors. eta vs tors. theta energy: -157.927 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: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1721.429392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.429392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.429392 (E_RNA) where: Base-Base interactions energy: -1167.855 where: short stacking energy: -535.501 Base-Backbone interact. energy: -4.369 local terms energy: -549.204736 where: bonds (distance) C4'-P energy: -104.953 bonds (distance) P-C4' energy: -98.871 flat angles C4'-P-C4' energy: -121.307 flat angles P-C4'-P energy: -69.041 tors. eta vs tors. theta energy: -155.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1668.633369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.633369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.633369 (E_RNA) where: Base-Base interactions energy: -1135.162 where: short stacking energy: -509.335 Base-Backbone interact. energy: -0.297 local terms energy: -533.174520 where: bonds (distance) C4'-P energy: -81.310 bonds (distance) P-C4' energy: -109.335 flat angles C4'-P-C4' energy: -117.368 flat angles P-C4'-P energy: -82.104 tors. eta vs tors. theta energy: -143.057 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: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1485.373424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.373424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.373424 (E_RNA) where: Base-Base interactions energy: -975.460 where: short stacking energy: -468.927 Base-Backbone interact. energy: 3.434 local terms energy: -513.348107 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -114.809 flat angles C4'-P-C4' energy: -105.482 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -121.901 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: 4 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1305.394805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.394805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.394805 (E_RNA) where: Base-Base interactions energy: -841.443 where: short stacking energy: -384.274 Base-Backbone interact. energy: -2.364 local terms energy: -461.587737 where: bonds (distance) C4'-P energy: -98.815 bonds (distance) P-C4' energy: -88.003 flat angles C4'-P-C4' energy: -117.581 flat angles P-C4'-P energy: -65.724 tors. eta vs tors. theta energy: -91.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1227.784191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.784191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.784191 (E_RNA) where: Base-Base interactions energy: -823.648 where: short stacking energy: -369.373 Base-Backbone interact. energy: -1.849 local terms energy: -402.286740 where: bonds (distance) C4'-P energy: -84.565 bonds (distance) P-C4' energy: -93.503 flat angles C4'-P-C4' energy: -96.470 flat angles P-C4'-P energy: -48.436 tors. eta vs tors. theta energy: -79.313 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: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -928.144395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.144395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.144395 (E_RNA) where: Base-Base interactions energy: -557.416 where: short stacking energy: -292.235 Base-Backbone interact. energy: 4.100 local terms energy: -374.829077 where: bonds (distance) C4'-P energy: -90.873 bonds (distance) P-C4' energy: -97.321 flat angles C4'-P-C4' energy: -85.421 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -47.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -855.524244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.524244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.524244 (E_RNA) where: Base-Base interactions energy: -500.079 where: short stacking energy: -235.001 Base-Backbone interact. energy: 0.599 local terms energy: -356.044095 where: bonds (distance) C4'-P energy: -84.465 bonds (distance) P-C4' energy: -98.279 flat angles C4'-P-C4' energy: -94.255 flat angles P-C4'-P energy: -45.851 tors. eta vs tors. theta energy: -33.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -604.984936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.984936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.984936 (E_RNA) where: Base-Base interactions energy: -271.112 where: short stacking energy: -168.165 Base-Backbone interact. energy: -3.751 local terms energy: -330.121735 where: bonds (distance) C4'-P energy: -73.186 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -81.117 flat angles P-C4'-P energy: -57.691 tors. eta vs tors. theta energy: -6.066 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: 311 Temperature: 1.350000 Total energy: -448.601521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.601521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.601521 (E_RNA) where: Base-Base interactions energy: -167.458 where: short stacking energy: -132.552 Base-Backbone interact. energy: -2.335 local terms energy: -278.808383 where: bonds (distance) C4'-P energy: -73.732 bonds (distance) P-C4' energy: -94.591 flat angles C4'-P-C4' energy: -71.962 flat angles P-C4'-P energy: -32.987 tors. eta vs tors. theta energy: -5.535 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: 312 Temperature: 0.900000 Total energy: -1826.908314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.908314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.908314 (E_RNA) where: Base-Base interactions energy: -1233.424 where: short stacking energy: -578.897 Base-Backbone interact. energy: -1.991 local terms energy: -591.493184 where: bonds (distance) C4'-P energy: -108.609 bonds (distance) P-C4' energy: -107.693 flat angles C4'-P-C4' energy: -128.020 flat angles P-C4'-P energy: -81.284 tors. eta vs tors. theta energy: -165.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1739.977318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.977318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.977318 (E_RNA) where: Base-Base interactions energy: -1168.247 where: short stacking energy: -521.059 Base-Backbone interact. energy: -4.693 local terms energy: -567.037174 where: bonds (distance) C4'-P energy: -109.575 bonds (distance) P-C4' energy: -108.421 flat angles C4'-P-C4' energy: -113.088 flat angles P-C4'-P energy: -82.642 tors. eta vs tors. theta energy: -153.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1622.899022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.899022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.899022 (E_RNA) where: Base-Base interactions energy: -1092.498 where: short stacking energy: -490.240 Base-Backbone interact. energy: -3.446 local terms energy: -526.954855 where: bonds (distance) C4'-P energy: -112.312 bonds (distance) P-C4' energy: -90.262 flat angles C4'-P-C4' energy: -114.800 flat angles P-C4'-P energy: -73.807 tors. eta vs tors. theta energy: -135.774 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: 312 Temperature: 1.050000 Total energy: -1463.207098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.207098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.207098 (E_RNA) where: Base-Base interactions energy: -969.930 where: short stacking energy: -459.254 Base-Backbone interact. energy: -1.081 local terms energy: -492.195485 where: bonds (distance) C4'-P energy: -89.137 bonds (distance) P-C4' energy: -92.760 flat angles C4'-P-C4' energy: -111.127 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: -125.851 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: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1254.967562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.967562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.967562 (E_RNA) where: Base-Base interactions energy: -811.990 where: short stacking energy: -364.932 Base-Backbone interact. energy: -2.991 local terms energy: -439.986484 where: bonds (distance) C4'-P energy: -96.288 bonds (distance) P-C4' energy: -100.071 flat angles C4'-P-C4' energy: -98.017 flat angles P-C4'-P energy: -69.164 tors. eta vs tors. theta energy: -76.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1192.834465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.834465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.834465 (E_RNA) where: Base-Base interactions energy: -744.425 where: short stacking energy: -352.632 Base-Backbone interact. energy: 1.689 local terms energy: -450.098999 where: bonds (distance) C4'-P energy: -83.222 bonds (distance) P-C4' energy: -97.178 flat angles C4'-P-C4' energy: -101.061 flat angles P-C4'-P energy: -78.989 tors. eta vs tors. theta energy: -89.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -965.341565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.341565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.341565 (E_RNA) where: Base-Base interactions energy: -594.323 where: short stacking energy: -298.327 Base-Backbone interact. energy: 2.124 local terms energy: -373.143137 where: bonds (distance) C4'-P energy: -72.427 bonds (distance) P-C4' energy: -90.721 flat angles C4'-P-C4' energy: -100.388 flat angles P-C4'-P energy: -45.482 tors. eta vs tors. theta energy: -64.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -835.127777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.127777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.127777 (E_RNA) where: Base-Base interactions energy: -493.790 where: short stacking energy: -251.939 Base-Backbone interact. energy: 1.194 local terms energy: -342.531643 where: bonds (distance) C4'-P energy: -91.688 bonds (distance) P-C4' energy: -88.087 flat angles C4'-P-C4' energy: -76.431 flat angles P-C4'-P energy: -70.443 tors. eta vs tors. theta energy: -15.883 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: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -613.297911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.297911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.297911 (E_RNA) where: Base-Base interactions energy: -321.306 where: short stacking energy: -201.867 Base-Backbone interact. energy: -0.615 local terms energy: -291.377014 where: bonds (distance) C4'-P energy: -82.113 bonds (distance) P-C4' energy: -92.505 flat angles C4'-P-C4' energy: -78.472 flat angles P-C4'-P energy: -40.593 tors. eta vs tors. theta energy: 2.306 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: 312 Temperature: 1.350000 Total energy: -464.498073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.498073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.498073 (E_RNA) where: Base-Base interactions energy: -166.067 where: short stacking energy: -143.443 Base-Backbone interact. energy: -1.910 local terms energy: -296.520816 where: bonds (distance) C4'-P energy: -83.625 bonds (distance) P-C4' energy: -94.757 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -40.778 tors. eta vs tors. theta energy: 2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1817.821599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.821599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.821599 (E_RNA) where: Base-Base interactions energy: -1245.925 where: short stacking energy: -551.904 Base-Backbone interact. energy: -0.547 local terms energy: -571.350028 where: bonds (distance) C4'-P energy: -105.131 bonds (distance) P-C4' energy: -116.375 flat angles C4'-P-C4' energy: -119.578 flat angles P-C4'-P energy: -72.297 tors. eta vs tors. theta energy: -157.969 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: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1693.213732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.213732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.213732 (E_RNA) where: Base-Base interactions energy: -1142.603 where: short stacking energy: -519.862 Base-Backbone interact. energy: -3.558 local terms energy: -547.052313 where: bonds (distance) C4'-P energy: -99.039 bonds (distance) P-C4' energy: -99.648 flat angles C4'-P-C4' energy: -125.206 flat angles P-C4'-P energy: -79.596 tors. eta vs tors. theta energy: -143.564 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: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1664.805683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.805683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.805683 (E_RNA) where: Base-Base interactions energy: -1135.769 where: short stacking energy: -510.704 Base-Backbone interact. energy: -5.214 local terms energy: -523.822157 where: bonds (distance) C4'-P energy: -89.481 bonds (distance) P-C4' energy: -102.762 flat angles C4'-P-C4' energy: -121.975 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -135.915 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: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1440.608379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.608379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.608379 (E_RNA) where: Base-Base interactions energy: -932.570 where: short stacking energy: -433.585 Base-Backbone interact. energy: -1.154 local terms energy: -506.883709 where: bonds (distance) C4'-P energy: -100.323 bonds (distance) P-C4' energy: -109.954 flat angles C4'-P-C4' energy: -103.690 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -118.114 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: 313 Temperature: 1.100000 Total energy: -1287.347832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.347832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.347832 (E_RNA) where: Base-Base interactions energy: -831.520 where: short stacking energy: -396.700 Base-Backbone interact. energy: -2.854 local terms energy: -452.974199 where: bonds (distance) C4'-P energy: -98.669 bonds (distance) P-C4' energy: -105.490 flat angles C4'-P-C4' energy: -93.721 flat angles P-C4'-P energy: -53.359 tors. eta vs tors. theta energy: -101.735 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: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1234.079192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.079192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.079192 (E_RNA) where: Base-Base interactions energy: -799.184 where: short stacking energy: -375.004 Base-Backbone interact. energy: -2.811 local terms energy: -432.083726 where: bonds (distance) C4'-P energy: -84.011 bonds (distance) P-C4' energy: -99.763 flat angles C4'-P-C4' energy: -96.095 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -82.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -992.072564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.072564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.072564 (E_RNA) where: Base-Base interactions energy: -592.703 where: short stacking energy: -300.512 Base-Backbone interact. energy: -2.597 local terms energy: -396.772877 where: bonds (distance) C4'-P energy: -80.845 bonds (distance) P-C4' energy: -100.056 flat angles C4'-P-C4' energy: -98.556 flat angles P-C4'-P energy: -56.584 tors. eta vs tors. theta energy: -60.733 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: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -824.402059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.402059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.402059 (E_RNA) where: Base-Base interactions energy: -495.198 where: short stacking energy: -257.169 Base-Backbone interact. energy: 6.356 local terms energy: -335.559728 where: bonds (distance) C4'-P energy: -93.556 bonds (distance) P-C4' energy: -79.989 flat angles C4'-P-C4' energy: -99.636 flat angles P-C4'-P energy: -41.672 tors. eta vs tors. theta energy: -20.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -648.075085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.075085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.075085 (E_RNA) where: Base-Base interactions energy: -345.318 where: short stacking energy: -208.285 Base-Backbone interact. energy: 0.174 local terms energy: -302.930895 where: bonds (distance) C4'-P energy: -85.135 bonds (distance) P-C4' energy: -80.049 flat angles C4'-P-C4' energy: -92.905 flat angles P-C4'-P energy: -30.449 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -416.492218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.492218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.492218 (E_RNA) where: Base-Base interactions energy: -158.610 where: short stacking energy: -118.126 Base-Backbone interact. energy: 4.024 local terms energy: -261.906082 where: bonds (distance) C4'-P energy: -90.790 bonds (distance) P-C4' energy: -98.138 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -44.760 tors. eta vs tors. theta energy: 38.050 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: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1825.209715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.209715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.209715 (E_RNA) where: Base-Base interactions energy: -1240.132 where: short stacking energy: -562.857 Base-Backbone interact. energy: -1.040 local terms energy: -584.038405 where: bonds (distance) C4'-P energy: -109.704 bonds (distance) P-C4' energy: -106.085 flat angles C4'-P-C4' energy: -126.796 flat angles P-C4'-P energy: -81.595 tors. eta vs tors. theta energy: -159.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1656.601631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.601631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.601631 (E_RNA) where: Base-Base interactions energy: -1113.814 where: short stacking energy: -483.135 Base-Backbone interact. energy: 0.566 local terms energy: -543.354284 where: bonds (distance) C4'-P energy: -101.285 bonds (distance) P-C4' energy: -110.812 flat angles C4'-P-C4' energy: -117.854 flat angles P-C4'-P energy: -88.650 tors. eta vs tors. theta energy: -124.753 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: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1652.942351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.942351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.942351 (E_RNA) where: Base-Base interactions energy: -1089.513 where: short stacking energy: -502.509 Base-Backbone interact. energy: -3.727 local terms energy: -559.702725 where: bonds (distance) C4'-P energy: -110.070 bonds (distance) P-C4' energy: -102.400 flat angles C4'-P-C4' energy: -116.334 flat angles P-C4'-P energy: -73.140 tors. eta vs tors. theta energy: -157.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1465.851245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.851245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.851245 (E_RNA) where: Base-Base interactions energy: -968.790 where: short stacking energy: -427.415 Base-Backbone interact. energy: -1.224 local terms energy: -495.836875 where: bonds (distance) C4'-P energy: -91.456 bonds (distance) P-C4' energy: -98.984 flat angles C4'-P-C4' energy: -111.299 flat angles P-C4'-P energy: -85.828 tors. eta vs tors. theta energy: -108.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1317.776470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.776470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.776470 (E_RNA) where: Base-Base interactions energy: -823.766 where: short stacking energy: -384.087 Base-Backbone interact. energy: 0.539 local terms energy: -494.548869 where: bonds (distance) C4'-P energy: -103.116 bonds (distance) P-C4' energy: -109.941 flat angles C4'-P-C4' energy: -111.149 flat angles P-C4'-P energy: -66.786 tors. eta vs tors. theta energy: -103.557 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: 6, replica: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1262.971968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.971968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.971968 (E_RNA) where: Base-Base interactions energy: -804.838 where: short stacking energy: -363.027 Base-Backbone interact. energy: -1.296 local terms energy: -456.838538 where: bonds (distance) C4'-P energy: -109.761 bonds (distance) P-C4' energy: -106.825 flat angles C4'-P-C4' energy: -98.049 flat angles P-C4'-P energy: -51.654 tors. eta vs tors. theta energy: -90.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -954.542313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.542313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.542313 (E_RNA) where: Base-Base interactions energy: -575.827 where: short stacking energy: -277.157 Base-Backbone interact. energy: -0.993 local terms energy: -377.722685 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -95.728 flat angles C4'-P-C4' energy: -84.712 flat angles P-C4'-P energy: -51.038 tors. eta vs tors. theta energy: -47.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -801.507802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.507802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.507802 (E_RNA) where: Base-Base interactions energy: -445.525 where: short stacking energy: -230.943 Base-Backbone interact. energy: -2.595 local terms energy: -353.388044 where: bonds (distance) C4'-P energy: -89.430 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -82.943 flat angles P-C4'-P energy: -59.005 tors. eta vs tors. theta energy: -22.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -653.191972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.191972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.191972 (E_RNA) where: Base-Base interactions energy: -322.228 where: short stacking energy: -186.064 Base-Backbone interact. energy: 7.352 local terms energy: -338.315761 where: bonds (distance) C4'-P energy: -95.563 bonds (distance) P-C4' energy: -93.778 flat angles C4'-P-C4' energy: -85.066 flat angles P-C4'-P energy: -53.773 tors. eta vs tors. theta energy: -10.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -438.494410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.494410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.494410 (E_RNA) where: Base-Base interactions energy: -167.031 where: short stacking energy: -113.991 Base-Backbone interact. energy: -0.542 local terms energy: -270.922238 where: bonds (distance) C4'-P energy: -92.980 bonds (distance) P-C4' energy: -95.590 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -42.658 tors. eta vs tors. theta energy: 21.405 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: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1811.741059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.741059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.741059 (E_RNA) where: Base-Base interactions energy: -1239.971 where: short stacking energy: -563.434 Base-Backbone interact. energy: -2.509 local terms energy: -569.260813 where: bonds (distance) C4'-P energy: -106.102 bonds (distance) P-C4' energy: -97.427 flat angles C4'-P-C4' energy: -124.348 flat angles P-C4'-P energy: -79.785 tors. eta vs tors. theta energy: -161.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1702.930632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.930632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.930632 (E_RNA) where: Base-Base interactions energy: -1140.496 where: short stacking energy: -515.174 Base-Backbone interact. energy: -0.316 local terms energy: -562.118929 where: bonds (distance) C4'-P energy: -95.298 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -83.379 tors. eta vs tors. theta energy: -161.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1625.315764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.315764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.315764 (E_RNA) where: Base-Base interactions energy: -1103.770 where: short stacking energy: -483.995 Base-Backbone interact. energy: -1.243 local terms energy: -520.303373 where: bonds (distance) C4'-P energy: -100.910 bonds (distance) P-C4' energy: -103.209 flat angles C4'-P-C4' energy: -115.698 flat angles P-C4'-P energy: -75.948 tors. eta vs tors. theta energy: -124.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1451.782912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.782912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.782912 (E_RNA) where: Base-Base interactions energy: -963.872 where: short stacking energy: -439.367 Base-Backbone interact. energy: 2.239 local terms energy: -490.149096 where: bonds (distance) C4'-P energy: -90.085 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -105.322 flat angles P-C4'-P energy: -73.741 tors. eta vs tors. theta energy: -104.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1341.987711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.987711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.987711 (E_RNA) where: Base-Base interactions energy: -890.931 where: short stacking energy: -382.220 Base-Backbone interact. energy: -2.058 local terms energy: -448.998040 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -102.446 flat angles C4'-P-C4' energy: -108.667 flat angles P-C4'-P energy: -58.313 tors. eta vs tors. theta energy: -97.277 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: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1237.046929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.046929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.046929 (E_RNA) where: Base-Base interactions energy: -777.579 where: short stacking energy: -368.463 Base-Backbone interact. energy: -2.310 local terms energy: -457.158059 where: bonds (distance) C4'-P energy: -106.349 bonds (distance) P-C4' energy: -88.183 flat angles C4'-P-C4' energy: -100.297 flat angles P-C4'-P energy: -68.115 tors. eta vs tors. theta energy: -94.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -981.668957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.668957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.668957 (E_RNA) where: Base-Base interactions energy: -559.930 where: short stacking energy: -285.488 Base-Backbone interact. energy: -1.135 local terms energy: -420.604021 where: bonds (distance) C4'-P energy: -88.591 bonds (distance) P-C4' energy: -112.754 flat angles C4'-P-C4' energy: -92.664 flat angles P-C4'-P energy: -65.732 tors. eta vs tors. theta energy: -60.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -844.986222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.986222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.986222 (E_RNA) where: Base-Base interactions energy: -470.520 where: short stacking energy: -246.116 Base-Backbone interact. energy: -0.217 local terms energy: -374.249261 where: bonds (distance) C4'-P energy: -92.346 bonds (distance) P-C4' energy: -98.015 flat angles C4'-P-C4' energy: -84.117 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -44.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -616.451928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.451928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.451928 (E_RNA) where: Base-Base interactions energy: -304.604 where: short stacking energy: -198.526 Base-Backbone interact. energy: 1.643 local terms energy: -313.490893 where: bonds (distance) C4'-P energy: -84.602 bonds (distance) P-C4' energy: -99.660 flat angles C4'-P-C4' energy: -62.219 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -2.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -426.526221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.526221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.526221 (E_RNA) where: Base-Base interactions energy: -148.333 where: short stacking energy: -101.191 Base-Backbone interact. energy: 5.486 local terms energy: -283.679294 where: bonds (distance) C4'-P energy: -84.638 bonds (distance) P-C4' energy: -95.896 flat angles C4'-P-C4' energy: -78.021 flat angles P-C4'-P energy: -45.581 tors. eta vs tors. theta energy: 20.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1802.722455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.722455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.722455 (E_RNA) where: Base-Base interactions energy: -1235.308 where: short stacking energy: -542.596 Base-Backbone interact. energy: 4.189 local terms energy: -571.602694 where: bonds (distance) C4'-P energy: -98.302 bonds (distance) P-C4' energy: -103.473 flat angles C4'-P-C4' energy: -124.744 flat angles P-C4'-P energy: -86.609 tors. eta vs tors. theta energy: -158.475 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: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1708.643510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.643510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.643510 (E_RNA) where: Base-Base interactions energy: -1126.992 where: short stacking energy: -507.777 Base-Backbone interact. energy: -5.755 local terms energy: -575.896823 where: bonds (distance) C4'-P energy: -113.184 bonds (distance) P-C4' energy: -120.178 flat angles C4'-P-C4' energy: -115.131 flat angles P-C4'-P energy: -86.916 tors. eta vs tors. theta energy: -140.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1637.769231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.769231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.769231 (E_RNA) where: Base-Base interactions energy: -1141.845 where: short stacking energy: -483.588 Base-Backbone interact. energy: -0.401 local terms energy: -495.522733 where: bonds (distance) C4'-P energy: -85.423 bonds (distance) P-C4' energy: -97.391 flat angles C4'-P-C4' energy: -122.824 flat angles P-C4'-P energy: -58.269 tors. eta vs tors. theta energy: -131.615 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: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1459.496082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.496082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.496082 (E_RNA) where: Base-Base interactions energy: -982.226 where: short stacking energy: -444.734 Base-Backbone interact. energy: -1.456 local terms energy: -475.814506 where: bonds (distance) C4'-P energy: -105.766 bonds (distance) P-C4' energy: -95.941 flat angles C4'-P-C4' energy: -103.023 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -119.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1341.286448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.286448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.286448 (E_RNA) where: Base-Base interactions energy: -879.482 where: short stacking energy: -393.085 Base-Backbone interact. energy: -2.693 local terms energy: -459.111602 where: bonds (distance) C4'-P energy: -89.411 bonds (distance) P-C4' energy: -91.769 flat angles C4'-P-C4' energy: -106.075 flat angles P-C4'-P energy: -69.422 tors. eta vs tors. theta energy: -102.434 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: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1209.084103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.084103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.084103 (E_RNA) where: Base-Base interactions energy: -751.802 where: short stacking energy: -342.022 Base-Backbone interact. energy: 0.848 local terms energy: -458.129459 where: bonds (distance) C4'-P energy: -108.584 bonds (distance) P-C4' energy: -105.112 flat angles C4'-P-C4' energy: -98.959 flat angles P-C4'-P energy: -67.502 tors. eta vs tors. theta energy: -77.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -954.645387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.645387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.645387 (E_RNA) where: Base-Base interactions energy: -565.336 where: short stacking energy: -285.318 Base-Backbone interact. energy: 0.969 local terms energy: -390.278778 where: bonds (distance) C4'-P energy: -87.208 bonds (distance) P-C4' energy: -81.844 flat angles C4'-P-C4' energy: -92.326 flat angles P-C4'-P energy: -59.855 tors. eta vs tors. theta energy: -69.046 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: 316 Temperature: 1.250000 Total energy: -819.886671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.886671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.886671 (E_RNA) where: Base-Base interactions energy: -463.048 where: short stacking energy: -221.283 Base-Backbone interact. energy: -0.177 local terms energy: -356.661312 where: bonds (distance) C4'-P energy: -91.847 bonds (distance) P-C4' energy: -85.950 flat angles C4'-P-C4' energy: -85.849 flat angles P-C4'-P energy: -69.346 tors. eta vs tors. theta energy: -23.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -627.897477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.897477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.897477 (E_RNA) where: Base-Base interactions energy: -311.846 where: short stacking energy: -182.957 Base-Backbone interact. energy: 0.923 local terms energy: -316.975045 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -90.274 flat angles C4'-P-C4' energy: -91.299 flat angles P-C4'-P energy: -47.449 tors. eta vs tors. theta energy: -0.323 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: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -507.871860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.871860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.871860 (E_RNA) where: Base-Base interactions energy: -215.671 where: short stacking energy: -152.813 Base-Backbone interact. energy: 3.653 local terms energy: -295.853417 where: bonds (distance) C4'-P energy: -81.753 bonds (distance) P-C4' energy: -92.155 flat angles C4'-P-C4' energy: -79.814 flat angles P-C4'-P energy: -38.171 tors. eta vs tors. theta energy: -3.960 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: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1786.357060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.357060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.357060 (E_RNA) where: Base-Base interactions energy: -1193.958 where: short stacking energy: -548.328 Base-Backbone interact. energy: -5.125 local terms energy: -587.273591 where: bonds (distance) C4'-P energy: -113.380 bonds (distance) P-C4' energy: -101.026 flat angles C4'-P-C4' energy: -124.587 flat angles P-C4'-P energy: -84.798 tors. eta vs tors. theta energy: -163.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1718.059423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.059423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.059423 (E_RNA) where: Base-Base interactions energy: -1174.279 where: short stacking energy: -531.276 Base-Backbone interact. energy: -2.712 local terms energy: -541.068663 where: bonds (distance) C4'-P energy: -103.008 bonds (distance) P-C4' energy: -97.195 flat angles C4'-P-C4' energy: -108.908 flat angles P-C4'-P energy: -85.405 tors. eta vs tors. theta energy: -146.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1649.333359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.333359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.333359 (E_RNA) where: Base-Base interactions energy: -1108.435 where: short stacking energy: -498.394 Base-Backbone interact. energy: -3.489 local terms energy: -537.409270 where: bonds (distance) C4'-P energy: -107.697 bonds (distance) P-C4' energy: -98.582 flat angles C4'-P-C4' energy: -118.535 flat angles P-C4'-P energy: -78.141 tors. eta vs tors. theta energy: -134.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1446.073401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.073401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.073401 (E_RNA) where: Base-Base interactions energy: -933.370 where: short stacking energy: -410.151 Base-Backbone interact. energy: -5.338 local terms energy: -507.364977 where: bonds (distance) C4'-P energy: -91.182 bonds (distance) P-C4' energy: -108.144 flat angles C4'-P-C4' energy: -112.988 flat angles P-C4'-P energy: -86.999 tors. eta vs tors. theta energy: -108.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1345.047967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.047967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.047967 (E_RNA) where: Base-Base interactions energy: -869.431 where: short stacking energy: -414.985 Base-Backbone interact. energy: 4.078 local terms energy: -479.694114 where: bonds (distance) C4'-P energy: -96.808 bonds (distance) P-C4' energy: -95.754 flat angles C4'-P-C4' energy: -107.720 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -108.167 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: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1222.770010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.770010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.770010 (E_RNA) where: Base-Base interactions energy: -785.788 where: short stacking energy: -372.158 Base-Backbone interact. energy: 3.375 local terms energy: -440.356848 where: bonds (distance) C4'-P energy: -110.888 bonds (distance) P-C4' energy: -99.390 flat angles C4'-P-C4' energy: -90.219 flat angles P-C4'-P energy: -69.588 tors. eta vs tors. theta energy: -70.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -970.763353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.763353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.763353 (E_RNA) where: Base-Base interactions energy: -575.113 where: short stacking energy: -271.592 Base-Backbone interact. energy: -2.869 local terms energy: -392.781033 where: bonds (distance) C4'-P energy: -102.825 bonds (distance) P-C4' energy: -95.126 flat angles C4'-P-C4' energy: -95.854 flat angles P-C4'-P energy: -61.595 tors. eta vs tors. theta energy: -37.381 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: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -812.333233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.333233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.333233 (E_RNA) where: Base-Base interactions energy: -461.926 where: short stacking energy: -242.218 Base-Backbone interact. energy: 0.408 local terms energy: -350.815938 where: bonds (distance) C4'-P energy: -85.593 bonds (distance) P-C4' energy: -102.256 flat angles C4'-P-C4' energy: -71.892 flat angles P-C4'-P energy: -52.358 tors. eta vs tors. theta energy: -38.716 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: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -607.929564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.929564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.929564 (E_RNA) where: Base-Base interactions energy: -265.165 where: short stacking energy: -148.759 Base-Backbone interact. energy: -1.173 local terms energy: -341.591132 where: bonds (distance) C4'-P energy: -86.986 bonds (distance) P-C4' energy: -94.003 flat angles C4'-P-C4' energy: -83.975 flat angles P-C4'-P energy: -75.049 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -525.504654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.504654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.504654 (E_RNA) where: Base-Base interactions energy: -227.772 where: short stacking energy: -159.783 Base-Backbone interact. energy: -0.815 local terms energy: -296.917806 where: bonds (distance) C4'-P energy: -91.244 bonds (distance) P-C4' energy: -95.365 flat angles C4'-P-C4' energy: -56.729 flat angles P-C4'-P energy: -52.652 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1812.759627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.759627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.759627 (E_RNA) where: Base-Base interactions energy: -1231.161 where: short stacking energy: -547.655 Base-Backbone interact. energy: -1.433 local terms energy: -580.165736 where: bonds (distance) C4'-P energy: -101.788 bonds (distance) P-C4' energy: -105.846 flat angles C4'-P-C4' energy: -122.523 flat angles P-C4'-P energy: -80.999 tors. eta vs tors. theta energy: -169.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1706.642985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.642985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.642985 (E_RNA) where: Base-Base interactions energy: -1147.323 where: short stacking energy: -506.577 Base-Backbone interact. energy: 0.227 local terms energy: -559.546427 where: bonds (distance) C4'-P energy: -103.719 bonds (distance) P-C4' energy: -112.667 flat angles C4'-P-C4' energy: -111.495 flat angles P-C4'-P energy: -76.440 tors. eta vs tors. theta energy: -155.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1639.157263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.157263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.157263 (E_RNA) where: Base-Base interactions energy: -1121.060 where: short stacking energy: -501.077 Base-Backbone interact. energy: -2.870 local terms energy: -515.227413 where: bonds (distance) C4'-P energy: -94.139 bonds (distance) P-C4' energy: -100.799 flat angles C4'-P-C4' energy: -117.691 flat angles P-C4'-P energy: -73.041 tors. eta vs tors. theta energy: -129.557 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: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1437.099041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.099041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.099041 (E_RNA) where: Base-Base interactions energy: -936.936 where: short stacking energy: -427.846 Base-Backbone interact. energy: 0.094 local terms energy: -500.256108 where: bonds (distance) C4'-P energy: -96.386 bonds (distance) P-C4' energy: -99.187 flat angles C4'-P-C4' energy: -107.005 flat angles P-C4'-P energy: -76.710 tors. eta vs tors. theta energy: -120.969 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: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1302.680003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.680003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.680003 (E_RNA) where: Base-Base interactions energy: -870.776 where: short stacking energy: -393.247 Base-Backbone interact. energy: -2.206 local terms energy: -429.698794 where: bonds (distance) C4'-P energy: -89.835 bonds (distance) P-C4' energy: -94.046 flat angles C4'-P-C4' energy: -95.599 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -97.538 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: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1182.752367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.752367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.752367 (E_RNA) where: Base-Base interactions energy: -765.658 where: short stacking energy: -343.453 Base-Backbone interact. energy: 0.755 local terms energy: -417.849399 where: bonds (distance) C4'-P energy: -77.353 bonds (distance) P-C4' energy: -85.762 flat angles C4'-P-C4' energy: -102.073 flat angles P-C4'-P energy: -73.645 tors. eta vs tors. theta energy: -79.015 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: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -987.760179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.760179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.760179 (E_RNA) where: Base-Base interactions energy: -579.566 where: short stacking energy: -290.763 Base-Backbone interact. energy: -0.913 local terms energy: -407.280881 where: bonds (distance) C4'-P energy: -107.300 bonds (distance) P-C4' energy: -94.788 flat angles C4'-P-C4' energy: -109.692 flat angles P-C4'-P energy: -42.776 tors. eta vs tors. theta energy: -52.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -815.402044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.402044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.402044 (E_RNA) where: Base-Base interactions energy: -454.041 where: short stacking energy: -254.977 Base-Backbone interact. energy: -1.034 local terms energy: -360.327290 where: bonds (distance) C4'-P energy: -87.410 bonds (distance) P-C4' energy: -84.347 flat angles C4'-P-C4' energy: -96.280 flat angles P-C4'-P energy: -52.301 tors. eta vs tors. theta energy: -39.989 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: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -543.428386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.428386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.428386 (E_RNA) where: Base-Base interactions energy: -249.775 where: short stacking energy: -143.405 Base-Backbone interact. energy: -1.347 local terms energy: -292.305982 where: bonds (distance) C4'-P energy: -97.835 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -66.599 flat angles P-C4'-P energy: -48.849 tors. eta vs tors. theta energy: 11.068 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: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -592.702379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.702379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.702379 (E_RNA) where: Base-Base interactions energy: -281.750 where: short stacking energy: -167.130 Base-Backbone interact. energy: 0.719 local terms energy: -311.671541 where: bonds (distance) C4'-P energy: -75.897 bonds (distance) P-C4' energy: -106.779 flat angles C4'-P-C4' energy: -89.731 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: 2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1809.700513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.700513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.700513 (E_RNA) where: Base-Base interactions energy: -1233.682 where: short stacking energy: -546.343 Base-Backbone interact. energy: -4.973 local terms energy: -571.045262 where: bonds (distance) C4'-P energy: -93.241 bonds (distance) P-C4' energy: -107.135 flat angles C4'-P-C4' energy: -121.672 flat angles P-C4'-P energy: -93.985 tors. eta vs tors. theta energy: -155.013 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: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1734.675083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.675083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.675083 (E_RNA) where: Base-Base interactions energy: -1163.801 where: short stacking energy: -556.514 Base-Backbone interact. energy: -4.525 local terms energy: -566.348602 where: bonds (distance) C4'-P energy: -96.942 bonds (distance) P-C4' energy: -110.982 flat angles C4'-P-C4' energy: -123.159 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -153.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1617.419738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.419738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.419738 (E_RNA) where: Base-Base interactions energy: -1107.340 where: short stacking energy: -497.614 Base-Backbone interact. energy: -4.047 local terms energy: -506.032658 where: bonds (distance) C4'-P energy: -81.761 bonds (distance) P-C4' energy: -98.014 flat angles C4'-P-C4' energy: -123.991 flat angles P-C4'-P energy: -74.799 tors. eta vs tors. theta energy: -127.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1449.064360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.064360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.064360 (E_RNA) where: Base-Base interactions energy: -972.970 where: short stacking energy: -420.901 Base-Backbone interact. energy: -4.964 local terms energy: -471.130311 where: bonds (distance) C4'-P energy: -99.551 bonds (distance) P-C4' energy: -107.972 flat angles C4'-P-C4' energy: -98.020 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -102.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1321.668774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.668774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.668774 (E_RNA) where: Base-Base interactions energy: -837.903 where: short stacking energy: -382.531 Base-Backbone interact. energy: -0.579 local terms energy: -483.186684 where: bonds (distance) C4'-P energy: -105.823 bonds (distance) P-C4' energy: -110.416 flat angles C4'-P-C4' energy: -112.867 flat angles P-C4'-P energy: -60.106 tors. eta vs tors. theta energy: -93.975 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: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1194.031641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.031641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.031641 (E_RNA) where: Base-Base interactions energy: -753.063 where: short stacking energy: -347.971 Base-Backbone interact. energy: -6.163 local terms energy: -434.805023 where: bonds (distance) C4'-P energy: -100.258 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -105.591 flat angles P-C4'-P energy: -65.226 tors. eta vs tors. theta energy: -71.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1001.964341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.964341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.964341 (E_RNA) where: Base-Base interactions energy: -594.617 where: short stacking energy: -305.092 Base-Backbone interact. energy: -0.116 local terms energy: -407.231418 where: bonds (distance) C4'-P energy: -102.721 bonds (distance) P-C4' energy: -106.480 flat angles C4'-P-C4' energy: -86.093 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -58.265 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: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -839.757473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.757473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.757473 (E_RNA) where: Base-Base interactions energy: -486.024 where: short stacking energy: -250.226 Base-Backbone interact. energy: 2.066 local terms energy: -355.800134 where: bonds (distance) C4'-P energy: -90.437 bonds (distance) P-C4' energy: -71.902 flat angles C4'-P-C4' energy: -99.899 flat angles P-C4'-P energy: -53.409 tors. eta vs tors. theta energy: -40.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -588.715242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.715242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.715242 (E_RNA) where: Base-Base interactions energy: -281.228 where: short stacking energy: -161.286 Base-Backbone interact. energy: -1.995 local terms energy: -305.492143 where: bonds (distance) C4'-P energy: -84.554 bonds (distance) P-C4' energy: -91.586 flat angles C4'-P-C4' energy: -78.485 flat angles P-C4'-P energy: -54.294 tors. eta vs tors. theta energy: 3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -516.258857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.258857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.258857 (E_RNA) where: Base-Base interactions energy: -226.126 where: short stacking energy: -142.709 Base-Backbone interact. energy: 0.198 local terms energy: -290.330276 where: bonds (distance) C4'-P energy: -86.314 bonds (distance) P-C4' energy: -95.370 flat angles C4'-P-C4' energy: -79.749 flat angles P-C4'-P energy: -44.392 tors. eta vs tors. theta energy: 15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1787.966514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.966514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.966514 (E_RNA) where: Base-Base interactions energy: -1189.054 where: short stacking energy: -538.375 Base-Backbone interact. energy: -2.352 local terms energy: -596.560384 where: bonds (distance) C4'-P energy: -113.618 bonds (distance) P-C4' energy: -118.296 flat angles C4'-P-C4' energy: -117.831 flat angles P-C4'-P energy: -86.252 tors. eta vs tors. theta energy: -160.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1723.818834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.818834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.818834 (E_RNA) where: Base-Base interactions energy: -1148.164 where: short stacking energy: -515.312 Base-Backbone interact. energy: -3.111 local terms energy: -572.543685 where: bonds (distance) C4'-P energy: -107.370 bonds (distance) P-C4' energy: -112.429 flat angles C4'-P-C4' energy: -122.485 flat angles P-C4'-P energy: -84.849 tors. eta vs tors. theta energy: -145.411 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: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1627.820177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.820177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.820177 (E_RNA) where: Base-Base interactions energy: -1102.583 where: short stacking energy: -483.149 Base-Backbone interact. energy: 1.538 local terms energy: -526.775286 where: bonds (distance) C4'-P energy: -102.890 bonds (distance) P-C4' energy: -112.828 flat angles C4'-P-C4' energy: -112.989 flat angles P-C4'-P energy: -66.152 tors. eta vs tors. theta energy: -131.917 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: 320 Temperature: 1.050000 Total energy: -1456.567898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.567898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.567898 (E_RNA) where: Base-Base interactions energy: -982.955 where: short stacking energy: -432.957 Base-Backbone interact. energy: 4.182 local terms energy: -477.794930 where: bonds (distance) C4'-P energy: -105.272 bonds (distance) P-C4' energy: -94.109 flat angles C4'-P-C4' energy: -103.119 flat angles P-C4'-P energy: -74.489 tors. eta vs tors. theta energy: -100.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1344.044617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.044617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.044617 (E_RNA) where: Base-Base interactions energy: -877.929 where: short stacking energy: -397.640 Base-Backbone interact. energy: -2.553 local terms energy: -463.562466 where: bonds (distance) C4'-P energy: -98.466 bonds (distance) P-C4' energy: -106.323 flat angles C4'-P-C4' energy: -113.168 flat angles P-C4'-P energy: -48.148 tors. eta vs tors. theta energy: -97.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1190.778617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.778617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.778617 (E_RNA) where: Base-Base interactions energy: -738.756 where: short stacking energy: -347.985 Base-Backbone interact. energy: -1.298 local terms energy: -450.724750 where: bonds (distance) C4'-P energy: -93.933 bonds (distance) P-C4' energy: -90.126 flat angles C4'-P-C4' energy: -116.608 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -86.670 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: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -984.399758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.399758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.399758 (E_RNA) where: Base-Base interactions energy: -593.462 where: short stacking energy: -297.420 Base-Backbone interact. energy: -2.092 local terms energy: -388.846175 where: bonds (distance) C4'-P energy: -76.668 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -103.167 flat angles P-C4'-P energy: -63.433 tors. eta vs tors. theta energy: -52.175 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: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -829.077978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.077978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.077978 (E_RNA) where: Base-Base interactions energy: -465.914 where: short stacking energy: -247.992 Base-Backbone interact. energy: -2.002 local terms energy: -361.161951 where: bonds (distance) C4'-P energy: -103.667 bonds (distance) P-C4' energy: -86.859 flat angles C4'-P-C4' energy: -71.123 flat angles P-C4'-P energy: -66.572 tors. eta vs tors. theta energy: -32.940 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: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -645.586791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.586791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.586791 (E_RNA) where: Base-Base interactions energy: -314.773 where: short stacking energy: -204.187 Base-Backbone interact. energy: -2.367 local terms energy: -328.445965 where: bonds (distance) C4'-P energy: -95.024 bonds (distance) P-C4' energy: -99.609 flat angles C4'-P-C4' energy: -81.140 flat angles P-C4'-P energy: -42.316 tors. eta vs tors. theta energy: -10.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -510.757424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.757424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.757424 (E_RNA) where: Base-Base interactions energy: -211.911 where: short stacking energy: -142.706 Base-Backbone interact. energy: -0.281 local terms energy: -298.565407 where: bonds (distance) C4'-P energy: -75.141 bonds (distance) P-C4' energy: -107.677 flat angles C4'-P-C4' energy: -70.444 flat angles P-C4'-P energy: -42.583 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1797.634302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.634302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.634302 (E_RNA) where: Base-Base interactions energy: -1193.154 where: short stacking energy: -538.423 Base-Backbone interact. energy: -5.530 local terms energy: -598.950483 where: bonds (distance) C4'-P energy: -118.090 bonds (distance) P-C4' energy: -112.032 flat angles C4'-P-C4' energy: -126.690 flat angles P-C4'-P energy: -85.458 tors. eta vs tors. theta energy: -156.680 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: 321 Temperature: 0.950000 Total energy: -1734.049624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.049624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.049624 (E_RNA) where: Base-Base interactions energy: -1178.748 where: short stacking energy: -538.334 Base-Backbone interact. energy: -1.457 local terms energy: -553.844145 where: bonds (distance) C4'-P energy: -92.525 bonds (distance) P-C4' energy: -111.692 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -87.662 tors. eta vs tors. theta energy: -149.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1618.128105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.128105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.128105 (E_RNA) where: Base-Base interactions energy: -1096.740 where: short stacking energy: -504.117 Base-Backbone interact. energy: -1.021 local terms energy: -520.367204 where: bonds (distance) C4'-P energy: -99.779 bonds (distance) P-C4' energy: -109.024 flat angles C4'-P-C4' energy: -117.663 flat angles P-C4'-P energy: -67.759 tors. eta vs tors. theta energy: -126.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1435.017805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.017805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.017805 (E_RNA) where: Base-Base interactions energy: -941.711 where: short stacking energy: -402.315 Base-Backbone interact. energy: 0.009 local terms energy: -493.316311 where: bonds (distance) C4'-P energy: -105.020 bonds (distance) P-C4' energy: -110.388 flat angles C4'-P-C4' energy: -112.234 flat angles P-C4'-P energy: -65.947 tors. eta vs tors. theta energy: -99.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1314.085460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.085460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.085460 (E_RNA) where: Base-Base interactions energy: -826.450 where: short stacking energy: -358.728 Base-Backbone interact. energy: -2.770 local terms energy: -484.864811 where: bonds (distance) C4'-P energy: -107.933 bonds (distance) P-C4' energy: -107.074 flat angles C4'-P-C4' energy: -105.988 flat angles P-C4'-P energy: -72.193 tors. eta vs tors. theta energy: -91.678 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: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1217.452265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.452265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.452265 (E_RNA) where: Base-Base interactions energy: -751.790 where: short stacking energy: -341.244 Base-Backbone interact. energy: -0.125 local terms energy: -465.537641 where: bonds (distance) C4'-P energy: -103.948 bonds (distance) P-C4' energy: -88.830 flat angles C4'-P-C4' energy: -120.008 flat angles P-C4'-P energy: -65.922 tors. eta vs tors. theta energy: -86.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1050.197956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.197956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.197956 (E_RNA) where: Base-Base interactions energy: -625.253 where: short stacking energy: -321.849 Base-Backbone interact. energy: 2.315 local terms energy: -427.260581 where: bonds (distance) C4'-P energy: -101.788 bonds (distance) P-C4' energy: -91.836 flat angles C4'-P-C4' energy: -87.697 flat angles P-C4'-P energy: -67.355 tors. eta vs tors. theta energy: -78.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -872.423128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.423128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.423128 (E_RNA) where: Base-Base interactions energy: -488.580 where: short stacking energy: -258.074 Base-Backbone interact. energy: -2.551 local terms energy: -381.292458 where: bonds (distance) C4'-P energy: -95.336 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -101.708 flat angles P-C4'-P energy: -63.678 tors. eta vs tors. theta energy: -29.238 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: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -672.441070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.441070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.441070 (E_RNA) where: Base-Base interactions energy: -338.920 where: short stacking energy: -217.720 Base-Backbone interact. energy: -2.183 local terms energy: -331.337792 where: bonds (distance) C4'-P energy: -70.862 bonds (distance) P-C4' energy: -83.370 flat angles C4'-P-C4' energy: -98.488 flat angles P-C4'-P energy: -66.296 tors. eta vs tors. theta energy: -12.322 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: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -512.047631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.047631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.047631 (E_RNA) where: Base-Base interactions energy: -212.264 where: short stacking energy: -144.857 Base-Backbone interact. energy: -1.284 local terms energy: -298.499612 where: bonds (distance) C4'-P energy: -89.866 bonds (distance) P-C4' energy: -93.277 flat angles C4'-P-C4' energy: -79.185 flat angles P-C4'-P energy: -49.008 tors. eta vs tors. theta energy: 12.837 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: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1810.628806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.628806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.628806 (E_RNA) where: Base-Base interactions energy: -1228.760 where: short stacking energy: -549.132 Base-Backbone interact. energy: -3.331 local terms energy: -578.537531 where: bonds (distance) C4'-P energy: -107.103 bonds (distance) P-C4' energy: -121.851 flat angles C4'-P-C4' energy: -117.947 flat angles P-C4'-P energy: -77.950 tors. eta vs tors. theta energy: -153.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1714.326084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.326084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.326084 (E_RNA) where: Base-Base interactions energy: -1131.495 where: short stacking energy: -528.817 Base-Backbone interact. energy: 0.745 local terms energy: -583.576071 where: bonds (distance) C4'-P energy: -107.983 bonds (distance) P-C4' energy: -114.635 flat angles C4'-P-C4' energy: -130.274 flat angles P-C4'-P energy: -76.496 tors. eta vs tors. theta energy: -154.188 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: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1616.373559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.373559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.373559 (E_RNA) where: Base-Base interactions energy: -1110.283 where: short stacking energy: -491.061 Base-Backbone interact. energy: -1.608 local terms energy: -504.482468 where: bonds (distance) C4'-P energy: -91.210 bonds (distance) P-C4' energy: -110.080 flat angles C4'-P-C4' energy: -108.650 flat angles P-C4'-P energy: -63.084 tors. eta vs tors. theta energy: -131.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1457.615513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.615513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.615513 (E_RNA) where: Base-Base interactions energy: -980.143 where: short stacking energy: -432.006 Base-Backbone interact. energy: 0.526 local terms energy: -477.998422 where: bonds (distance) C4'-P energy: -94.217 bonds (distance) P-C4' energy: -92.624 flat angles C4'-P-C4' energy: -114.725 flat angles P-C4'-P energy: -73.710 tors. eta vs tors. theta energy: -102.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1359.953485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.953485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.953485 (E_RNA) where: Base-Base interactions energy: -851.595 where: short stacking energy: -406.462 Base-Backbone interact. energy: -1.385 local terms energy: -506.973757 where: bonds (distance) C4'-P energy: -106.766 bonds (distance) P-C4' energy: -105.041 flat angles C4'-P-C4' energy: -114.895 flat angles P-C4'-P energy: -80.776 tors. eta vs tors. theta energy: -99.494 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: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1181.094874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.094874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.094874 (E_RNA) where: Base-Base interactions energy: -758.454 where: short stacking energy: -335.948 Base-Backbone interact. energy: 1.275 local terms energy: -423.915191 where: bonds (distance) C4'-P energy: -81.201 bonds (distance) P-C4' energy: -106.760 flat angles C4'-P-C4' energy: -88.473 flat angles P-C4'-P energy: -81.373 tors. eta vs tors. theta energy: -66.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -989.071885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.071885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.071885 (E_RNA) where: Base-Base interactions energy: -587.998 where: short stacking energy: -279.605 Base-Backbone interact. energy: -0.613 local terms energy: -400.460633 where: bonds (distance) C4'-P energy: -94.769 bonds (distance) P-C4' energy: -109.232 flat angles C4'-P-C4' energy: -89.824 flat angles P-C4'-P energy: -55.368 tors. eta vs tors. theta energy: -51.268 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: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -815.985501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.985501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.985501 (E_RNA) where: Base-Base interactions energy: -446.785 where: short stacking energy: -243.668 Base-Backbone interact. energy: 3.197 local terms energy: -372.398359 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -106.584 flat angles C4'-P-C4' energy: -81.532 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -36.855 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: 322 Temperature: 1.300000 Total energy: -644.075869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.075869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.075869 (E_RNA) where: Base-Base interactions energy: -313.392 where: short stacking energy: -182.690 Base-Backbone interact. energy: 0.199 local terms energy: -330.882466 where: bonds (distance) C4'-P energy: -100.932 bonds (distance) P-C4' energy: -86.946 flat angles C4'-P-C4' energy: -82.533 flat angles P-C4'-P energy: -50.139 tors. eta vs tors. theta energy: -10.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -533.346363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.346363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.346363 (E_RNA) where: Base-Base interactions energy: -230.534 where: short stacking energy: -146.528 Base-Backbone interact. energy: 2.323 local terms energy: -305.135441 where: bonds (distance) C4'-P energy: -93.092 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -84.192 flat angles P-C4'-P energy: -60.869 tors. eta vs tors. theta energy: 15.122 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: 323 Temperature: 0.900000 Total energy: -1825.152366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.152366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.152366 (E_RNA) where: Base-Base interactions energy: -1248.884 where: short stacking energy: -583.827 Base-Backbone interact. energy: -1.203 local terms energy: -575.065199 where: bonds (distance) C4'-P energy: -94.250 bonds (distance) P-C4' energy: -114.093 flat angles C4'-P-C4' energy: -120.915 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: -166.931 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: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1742.337766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.337766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.337766 (E_RNA) where: Base-Base interactions energy: -1157.448 where: short stacking energy: -524.340 Base-Backbone interact. energy: -2.100 local terms energy: -582.789840 where: bonds (distance) C4'-P energy: -118.876 bonds (distance) P-C4' energy: -116.381 flat angles C4'-P-C4' energy: -122.935 flat angles P-C4'-P energy: -72.835 tors. eta vs tors. theta energy: -151.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1643.713910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.713910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.713910 (E_RNA) where: Base-Base interactions energy: -1115.305 where: short stacking energy: -494.918 Base-Backbone interact. energy: -1.858 local terms energy: -526.551166 where: bonds (distance) C4'-P energy: -94.291 bonds (distance) P-C4' energy: -102.791 flat angles C4'-P-C4' energy: -120.340 flat angles P-C4'-P energy: -77.962 tors. eta vs tors. theta energy: -131.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1408.935412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.935412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.935412 (E_RNA) where: Base-Base interactions energy: -909.698 where: short stacking energy: -426.558 Base-Backbone interact. energy: -3.294 local terms energy: -495.943362 where: bonds (distance) C4'-P energy: -101.356 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -104.441 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -113.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1375.143810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.143810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.143810 (E_RNA) where: Base-Base interactions energy: -891.989 where: short stacking energy: -378.832 Base-Backbone interact. energy: 0.529 local terms energy: -483.684244 where: bonds (distance) C4'-P energy: -87.667 bonds (distance) P-C4' energy: -109.046 flat angles C4'-P-C4' energy: -109.313 flat angles P-C4'-P energy: -78.750 tors. eta vs tors. theta energy: -98.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1157.309555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.309555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.309555 (E_RNA) where: Base-Base interactions energy: -747.153 where: short stacking energy: -334.063 Base-Backbone interact. energy: -1.960 local terms energy: -408.197419 where: bonds (distance) C4'-P energy: -98.436 bonds (distance) P-C4' energy: -104.451 flat angles C4'-P-C4' energy: -88.453 flat angles P-C4'-P energy: -58.770 tors. eta vs tors. theta energy: -58.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -885.470568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.470568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.470568 (E_RNA) where: Base-Base interactions energy: -537.880 where: short stacking energy: -269.255 Base-Backbone interact. energy: -2.155 local terms energy: -345.435576 where: bonds (distance) C4'-P energy: -90.718 bonds (distance) P-C4' energy: -97.487 flat angles C4'-P-C4' energy: -74.764 flat angles P-C4'-P energy: -50.008 tors. eta vs tors. theta energy: -32.459 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: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -846.951524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.951524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.951524 (E_RNA) where: Base-Base interactions energy: -469.764 where: short stacking energy: -244.763 Base-Backbone interact. energy: 1.150 local terms energy: -378.338048 where: bonds (distance) C4'-P energy: -100.889 bonds (distance) P-C4' energy: -107.127 flat angles C4'-P-C4' energy: -91.005 flat angles P-C4'-P energy: -50.110 tors. eta vs tors. theta energy: -29.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -701.465832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.465832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.465832 (E_RNA) where: Base-Base interactions energy: -353.813 where: short stacking energy: -180.300 Base-Backbone interact. energy: -0.275 local terms energy: -347.377335 where: bonds (distance) C4'-P energy: -90.966 bonds (distance) P-C4' energy: -98.367 flat angles C4'-P-C4' energy: -91.810 flat angles P-C4'-P energy: -51.904 tors. eta vs tors. theta energy: -14.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -499.223284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.223284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.223284 (E_RNA) where: Base-Base interactions energy: -182.854 where: short stacking energy: -126.833 Base-Backbone interact. energy: -3.127 local terms energy: -313.241807 where: bonds (distance) C4'-P energy: -72.666 bonds (distance) P-C4' energy: -102.595 flat angles C4'-P-C4' energy: -82.642 flat angles P-C4'-P energy: -49.540 tors. eta vs tors. theta energy: -5.798 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: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1805.440142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.440142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.440142 (E_RNA) where: Base-Base interactions energy: -1217.873 where: short stacking energy: -565.125 Base-Backbone interact. energy: -4.121 local terms energy: -583.446940 where: bonds (distance) C4'-P energy: -96.410 bonds (distance) P-C4' energy: -118.469 flat angles C4'-P-C4' energy: -119.123 flat angles P-C4'-P energy: -87.604 tors. eta vs tors. theta energy: -161.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1729.850185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.850185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.850185 (E_RNA) where: Base-Base interactions energy: -1178.037 where: short stacking energy: -506.436 Base-Backbone interact. energy: -1.736 local terms energy: -550.077363 where: bonds (distance) C4'-P energy: -111.172 bonds (distance) P-C4' energy: -115.855 flat angles C4'-P-C4' energy: -108.851 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: -145.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1653.053360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.053360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.053360 (E_RNA) where: Base-Base interactions energy: -1099.821 where: short stacking energy: -497.085 Base-Backbone interact. energy: -2.685 local terms energy: -550.547718 where: bonds (distance) C4'-P energy: -111.831 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -125.035 flat angles P-C4'-P energy: -65.925 tors. eta vs tors. theta energy: -140.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1383.631663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.631663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.631663 (E_RNA) where: Base-Base interactions energy: -887.073 where: short stacking energy: -404.048 Base-Backbone interact. energy: -6.370 local terms energy: -490.188931 where: bonds (distance) C4'-P energy: -96.418 bonds (distance) P-C4' energy: -98.717 flat angles C4'-P-C4' energy: -117.879 flat angles P-C4'-P energy: -76.448 tors. eta vs tors. theta energy: -100.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1384.791651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.791651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.791651 (E_RNA) where: Base-Base interactions energy: -908.231 where: short stacking energy: -405.475 Base-Backbone interact. energy: -2.419 local terms energy: -474.141614 where: bonds (distance) C4'-P energy: -94.988 bonds (distance) P-C4' energy: -104.454 flat angles C4'-P-C4' energy: -99.805 flat angles P-C4'-P energy: -80.008 tors. eta vs tors. theta energy: -94.887 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: 324 Temperature: 1.150000 Total energy: -1162.126836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.126836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.126836 (E_RNA) where: Base-Base interactions energy: -745.886 where: short stacking energy: -345.187 Base-Backbone interact. energy: 1.765 local terms energy: -418.005799 where: bonds (distance) C4'-P energy: -80.952 bonds (distance) P-C4' energy: -91.106 flat angles C4'-P-C4' energy: -108.455 flat angles P-C4'-P energy: -59.911 tors. eta vs tors. theta energy: -77.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -911.304541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.304541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.304541 (E_RNA) where: Base-Base interactions energy: -522.990 where: short stacking energy: -272.512 Base-Backbone interact. energy: 0.169 local terms energy: -388.483919 where: bonds (distance) C4'-P energy: -104.367 bonds (distance) P-C4' energy: -80.960 flat angles C4'-P-C4' energy: -99.173 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -42.362 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: 324 Temperature: 1.250000 Total energy: -840.070261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.070261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.070261 (E_RNA) where: Base-Base interactions energy: -485.910 where: short stacking energy: -259.748 Base-Backbone interact. energy: -1.949 local terms energy: -352.210938 where: bonds (distance) C4'-P energy: -92.387 bonds (distance) P-C4' energy: -81.796 flat angles C4'-P-C4' energy: -94.495 flat angles P-C4'-P energy: -55.270 tors. eta vs tors. theta energy: -28.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -635.303873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.303873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.303873 (E_RNA) where: Base-Base interactions energy: -305.301 where: short stacking energy: -185.052 Base-Backbone interact. energy: -0.554 local terms energy: -329.449559 where: bonds (distance) C4'-P energy: -101.498 bonds (distance) P-C4' energy: -74.396 flat angles C4'-P-C4' energy: -79.168 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -15.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -522.673212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.673212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.673212 (E_RNA) where: Base-Base interactions energy: -262.931 where: short stacking energy: -157.904 Base-Backbone interact. energy: -1.335 local terms energy: -258.407076 where: bonds (distance) C4'-P energy: -75.310 bonds (distance) P-C4' energy: -82.400 flat angles C4'-P-C4' energy: -65.879 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: 5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1819.748327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.748327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.748327 (E_RNA) where: Base-Base interactions energy: -1238.000 where: short stacking energy: -549.827 Base-Backbone interact. energy: -2.930 local terms energy: -578.818565 where: bonds (distance) C4'-P energy: -102.401 bonds (distance) P-C4' energy: -105.934 flat angles C4'-P-C4' energy: -126.128 flat angles P-C4'-P energy: -80.633 tors. eta vs tors. theta energy: -163.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1694.473481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.473481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.473481 (E_RNA) where: Base-Base interactions energy: -1136.777 where: short stacking energy: -503.365 Base-Backbone interact. energy: -1.036 local terms energy: -556.660269 where: bonds (distance) C4'-P energy: -102.147 bonds (distance) P-C4' energy: -116.818 flat angles C4'-P-C4' energy: -112.893 flat angles P-C4'-P energy: -91.916 tors. eta vs tors. theta energy: -132.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1687.257475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.257475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.257475 (E_RNA) where: Base-Base interactions energy: -1137.395 where: short stacking energy: -525.191 Base-Backbone interact. energy: -1.784 local terms energy: -548.077964 where: bonds (distance) C4'-P energy: -105.069 bonds (distance) P-C4' energy: -99.291 flat angles C4'-P-C4' energy: -121.818 flat angles P-C4'-P energy: -73.342 tors. eta vs tors. theta energy: -148.556 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: 8 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1463.803924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.803924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.803924 (E_RNA) where: Base-Base interactions energy: -931.816 where: short stacking energy: -438.538 Base-Backbone interact. energy: -1.299 local terms energy: -530.689108 where: bonds (distance) C4'-P energy: -109.849 bonds (distance) P-C4' energy: -112.916 flat angles C4'-P-C4' energy: -110.039 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -121.372 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: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1324.080373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.080373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.080373 (E_RNA) where: Base-Base interactions energy: -874.395 where: short stacking energy: -382.189 Base-Backbone interact. energy: -1.986 local terms energy: -447.699550 where: bonds (distance) C4'-P energy: -80.879 bonds (distance) P-C4' energy: -98.334 flat angles C4'-P-C4' energy: -102.086 flat angles P-C4'-P energy: -78.082 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: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1129.371931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.371931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.371931 (E_RNA) where: Base-Base interactions energy: -717.921 where: short stacking energy: -336.172 Base-Backbone interact. energy: -1.532 local terms energy: -409.918404 where: bonds (distance) C4'-P energy: -91.556 bonds (distance) P-C4' energy: -96.178 flat angles C4'-P-C4' energy: -92.882 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -67.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -906.733913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.733913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.733913 (E_RNA) where: Base-Base interactions energy: -508.054 where: short stacking energy: -266.878 Base-Backbone interact. energy: -0.799 local terms energy: -397.880810 where: bonds (distance) C4'-P energy: -90.715 bonds (distance) P-C4' energy: -106.225 flat angles C4'-P-C4' energy: -86.107 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -50.719 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: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -815.113961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.113961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.113961 (E_RNA) where: Base-Base interactions energy: -466.862 where: short stacking energy: -240.725 Base-Backbone interact. energy: -3.578 local terms energy: -344.673909 where: bonds (distance) C4'-P energy: -100.760 bonds (distance) P-C4' energy: -91.625 flat angles C4'-P-C4' energy: -82.723 flat angles P-C4'-P energy: -51.775 tors. eta vs tors. theta energy: -17.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -632.452569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.452569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.452569 (E_RNA) where: Base-Base interactions energy: -318.307 where: short stacking energy: -182.746 Base-Backbone interact. energy: 2.451 local terms energy: -316.596233 where: bonds (distance) C4'-P energy: -83.087 bonds (distance) P-C4' energy: -99.410 flat angles C4'-P-C4' energy: -83.899 flat angles P-C4'-P energy: -52.273 tors. eta vs tors. theta energy: 2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -524.349199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.349199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.349199 (E_RNA) where: Base-Base interactions energy: -247.615 where: short stacking energy: -139.890 Base-Backbone interact. energy: -2.855 local terms energy: -273.878530 where: bonds (distance) C4'-P energy: -82.390 bonds (distance) P-C4' energy: -97.431 flat angles C4'-P-C4' energy: -79.462 flat angles P-C4'-P energy: -34.463 tors. eta vs tors. theta energy: 19.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1820.447017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.447017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.447017 (E_RNA) where: Base-Base interactions energy: -1250.707 where: short stacking energy: -563.363 Base-Backbone interact. energy: 1.007 local terms energy: -570.747434 where: bonds (distance) C4'-P energy: -103.563 bonds (distance) P-C4' energy: -98.664 flat angles C4'-P-C4' energy: -123.737 flat angles P-C4'-P energy: -76.997 tors. eta vs tors. theta energy: -167.787 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: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1681.497826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.497826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.497826 (E_RNA) where: Base-Base interactions energy: -1143.250 where: short stacking energy: -504.215 Base-Backbone interact. energy: -3.035 local terms energy: -535.213280 where: bonds (distance) C4'-P energy: -101.715 bonds (distance) P-C4' energy: -112.132 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -131.667 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: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1688.774210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.774210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.774210 (E_RNA) where: Base-Base interactions energy: -1147.503 where: short stacking energy: -515.259 Base-Backbone interact. energy: 0.060 local terms energy: -541.330850 where: bonds (distance) C4'-P energy: -98.518 bonds (distance) P-C4' energy: -100.253 flat angles C4'-P-C4' energy: -119.037 flat angles P-C4'-P energy: -61.403 tors. eta vs tors. theta energy: -162.120 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: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1435.338992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.338992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.338992 (E_RNA) where: Base-Base interactions energy: -950.500 where: short stacking energy: -440.125 Base-Backbone interact. energy: -0.890 local terms energy: -483.948588 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -107.812 flat angles C4'-P-C4' energy: -114.570 flat angles P-C4'-P energy: -67.542 tors. eta vs tors. theta energy: -113.202 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: 326 Temperature: 1.100000 Total energy: -1363.750588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.750588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.750588 (E_RNA) where: Base-Base interactions energy: -880.170 where: short stacking energy: -413.165 Base-Backbone interact. energy: -3.335 local terms energy: -480.245900 where: bonds (distance) C4'-P energy: -91.200 bonds (distance) P-C4' energy: -106.285 flat angles C4'-P-C4' energy: -109.002 flat angles P-C4'-P energy: -71.166 tors. eta vs tors. theta energy: -102.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1168.735734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.735734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.735734 (E_RNA) where: Base-Base interactions energy: -710.694 where: short stacking energy: -338.301 Base-Backbone interact. energy: 4.951 local terms energy: -462.993404 where: bonds (distance) C4'-P energy: -104.422 bonds (distance) P-C4' energy: -108.434 flat angles C4'-P-C4' energy: -104.046 flat angles P-C4'-P energy: -60.309 tors. eta vs tors. theta energy: -85.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -927.986002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.986002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.986002 (E_RNA) where: Base-Base interactions energy: -558.917 where: short stacking energy: -274.924 Base-Backbone interact. energy: -2.538 local terms energy: -366.531461 where: bonds (distance) C4'-P energy: -81.931 bonds (distance) P-C4' energy: -90.713 flat angles C4'-P-C4' energy: -100.681 flat angles P-C4'-P energy: -51.772 tors. eta vs tors. theta energy: -41.435 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: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -846.026756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.026756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.026756 (E_RNA) where: Base-Base interactions energy: -486.559 where: short stacking energy: -240.121 Base-Backbone interact. energy: -2.175 local terms energy: -357.292250 where: bonds (distance) C4'-P energy: -86.070 bonds (distance) P-C4' energy: -89.430 flat angles C4'-P-C4' energy: -94.491 flat angles P-C4'-P energy: -59.029 tors. eta vs tors. theta energy: -28.272 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: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -537.661223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.661223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.661223 (E_RNA) where: Base-Base interactions energy: -256.192 where: short stacking energy: -177.263 Base-Backbone interact. energy: 2.514 local terms energy: -283.982855 where: bonds (distance) C4'-P energy: -76.330 bonds (distance) P-C4' energy: -88.329 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: 2.492 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: 326 Temperature: 1.350000 Total energy: -630.008435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.008435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.008435 (E_RNA) where: Base-Base interactions energy: -319.663 where: short stacking energy: -183.014 Base-Backbone interact. energy: 4.074 local terms energy: -314.419667 where: bonds (distance) C4'-P energy: -66.441 bonds (distance) P-C4' energy: -93.311 flat angles C4'-P-C4' energy: -77.101 flat angles P-C4'-P energy: -52.364 tors. eta vs tors. theta energy: -25.203 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: 327 Temperature: 0.900000 Total energy: -1790.629960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.629960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.629960 (E_RNA) where: Base-Base interactions energy: -1209.827 where: short stacking energy: -546.024 Base-Backbone interact. energy: -2.154 local terms energy: -578.649103 where: bonds (distance) C4'-P energy: -99.587 bonds (distance) P-C4' energy: -107.182 flat angles C4'-P-C4' energy: -127.247 flat angles P-C4'-P energy: -85.473 tors. eta vs tors. theta energy: -159.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1741.570589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.570589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.570589 (E_RNA) where: Base-Base interactions energy: -1173.915 where: short stacking energy: -530.841 Base-Backbone interact. energy: -2.401 local terms energy: -565.254133 where: bonds (distance) C4'-P energy: -94.043 bonds (distance) P-C4' energy: -103.705 flat angles C4'-P-C4' energy: -125.375 flat angles P-C4'-P energy: -81.586 tors. eta vs tors. theta energy: -160.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1674.845465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.845465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.845465 (E_RNA) where: Base-Base interactions energy: -1157.479 where: short stacking energy: -479.315 Base-Backbone interact. energy: 2.010 local terms energy: -519.376642 where: bonds (distance) C4'-P energy: -98.232 bonds (distance) P-C4' energy: -95.790 flat angles C4'-P-C4' energy: -113.803 flat angles P-C4'-P energy: -75.342 tors. eta vs tors. theta energy: -136.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1418.665080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.665080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.665080 (E_RNA) where: Base-Base interactions energy: -904.211 where: short stacking energy: -417.878 Base-Backbone interact. energy: -1.237 local terms energy: -513.216840 where: bonds (distance) C4'-P energy: -98.875 bonds (distance) P-C4' energy: -106.998 flat angles C4'-P-C4' energy: -119.218 flat angles P-C4'-P energy: -78.398 tors. eta vs tors. theta energy: -109.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1313.097503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.097503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.097503 (E_RNA) where: Base-Base interactions energy: -855.037 where: short stacking energy: -388.348 Base-Backbone interact. energy: -2.080 local terms energy: -455.979992 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -105.324 flat angles C4'-P-C4' energy: -102.596 flat angles P-C4'-P energy: -57.463 tors. eta vs tors. theta energy: -103.861 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: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1159.028304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.028304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.028304 (E_RNA) where: Base-Base interactions energy: -699.721 where: short stacking energy: -338.881 Base-Backbone interact. energy: -1.054 local terms energy: -458.253057 where: bonds (distance) C4'-P energy: -101.703 bonds (distance) P-C4' energy: -93.688 flat angles C4'-P-C4' energy: -114.946 flat angles P-C4'-P energy: -73.172 tors. eta vs tors. theta energy: -74.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -915.078037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.078037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.078037 (E_RNA) where: Base-Base interactions energy: -541.107 where: short stacking energy: -296.593 Base-Backbone interact. energy: -1.189 local terms energy: -372.781865 where: bonds (distance) C4'-P energy: -81.463 bonds (distance) P-C4' energy: -76.624 flat angles C4'-P-C4' energy: -98.348 flat angles P-C4'-P energy: -64.309 tors. eta vs tors. theta energy: -52.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -825.973284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.973284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.973284 (E_RNA) where: Base-Base interactions energy: -486.064 where: short stacking energy: -244.979 Base-Backbone interact. energy: 1.743 local terms energy: -341.652475 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -91.958 flat angles C4'-P-C4' energy: -80.184 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: -35.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -572.569020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.569020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.569020 (E_RNA) where: Base-Base interactions energy: -266.676 where: short stacking energy: -165.775 Base-Backbone interact. energy: -0.051 local terms energy: -305.842289 where: bonds (distance) C4'-P energy: -96.350 bonds (distance) P-C4' energy: -80.791 flat angles C4'-P-C4' energy: -79.770 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -6.705 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: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -588.541196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.541196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.541196 (E_RNA) where: Base-Base interactions energy: -289.200 where: short stacking energy: -194.453 Base-Backbone interact. energy: 1.200 local terms energy: -300.541110 where: bonds (distance) C4'-P energy: -82.300 bonds (distance) P-C4' energy: -93.536 flat angles C4'-P-C4' energy: -90.620 flat angles P-C4'-P energy: -30.074 tors. eta vs tors. theta energy: -4.010 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: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1779.866721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.866721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.866721 (E_RNA) where: Base-Base interactions energy: -1209.423 where: short stacking energy: -544.717 Base-Backbone interact. energy: -3.600 local terms energy: -566.843762 where: bonds (distance) C4'-P energy: -98.837 bonds (distance) P-C4' energy: -113.939 flat angles C4'-P-C4' energy: -123.510 flat angles P-C4'-P energy: -79.931 tors. eta vs tors. theta energy: -150.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1775.683635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.683635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.683635 (E_RNA) where: Base-Base interactions energy: -1198.170 where: short stacking energy: -552.813 Base-Backbone interact. energy: -4.380 local terms energy: -573.133290 where: bonds (distance) C4'-P energy: -100.620 bonds (distance) P-C4' energy: -110.715 flat angles C4'-P-C4' energy: -120.924 flat angles P-C4'-P energy: -71.995 tors. eta vs tors. theta energy: -168.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1620.606005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.606005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.606005 (E_RNA) where: Base-Base interactions energy: -1101.910 where: short stacking energy: -477.462 Base-Backbone interact. energy: 1.488 local terms energy: -520.183613 where: bonds (distance) C4'-P energy: -93.689 bonds (distance) P-C4' energy: -115.277 flat angles C4'-P-C4' energy: -116.565 flat angles P-C4'-P energy: -77.487 tors. eta vs tors. theta energy: -117.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1392.211450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.211450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.211450 (E_RNA) where: Base-Base interactions energy: -913.291 where: short stacking energy: -416.393 Base-Backbone interact. energy: -0.939 local terms energy: -477.982266 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -97.917 flat angles C4'-P-C4' energy: -101.091 flat angles P-C4'-P energy: -73.540 tors. eta vs tors. theta energy: -111.114 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: 328 Temperature: 1.100000 Total energy: -1285.988602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.988602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.988602 (E_RNA) where: Base-Base interactions energy: -815.375 where: short stacking energy: -359.169 Base-Backbone interact. energy: -0.736 local terms energy: -469.877611 where: bonds (distance) C4'-P energy: -96.684 bonds (distance) P-C4' energy: -115.078 flat angles C4'-P-C4' energy: -103.795 flat angles P-C4'-P energy: -62.034 tors. eta vs tors. theta energy: -92.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1112.458260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.458260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.458260 (E_RNA) where: Base-Base interactions energy: -708.304 where: short stacking energy: -307.331 Base-Backbone interact. energy: 2.945 local terms energy: -407.099876 where: bonds (distance) C4'-P energy: -103.125 bonds (distance) P-C4' energy: -97.730 flat angles C4'-P-C4' energy: -97.050 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: -53.036 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: 7, replica: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -880.741039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.741039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.741039 (E_RNA) where: Base-Base interactions energy: -495.896 where: short stacking energy: -261.974 Base-Backbone interact. energy: 0.643 local terms energy: -385.488517 where: bonds (distance) C4'-P energy: -90.754 bonds (distance) P-C4' energy: -101.665 flat angles C4'-P-C4' energy: -97.409 flat angles P-C4'-P energy: -52.649 tors. eta vs tors. theta energy: -43.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -810.485123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.485123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.485123 (E_RNA) where: Base-Base interactions energy: -444.932 where: short stacking energy: -217.343 Base-Backbone interact. energy: -2.710 local terms energy: -362.842377 where: bonds (distance) C4'-P energy: -91.678 bonds (distance) P-C4' energy: -96.471 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -54.044 tors. eta vs tors. theta energy: -22.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -656.933358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.933358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.933358 (E_RNA) where: Base-Base interactions energy: -363.619 where: short stacking energy: -198.453 Base-Backbone interact. energy: 2.529 local terms energy: -295.843563 where: bonds (distance) C4'-P energy: -79.099 bonds (distance) P-C4' energy: -84.918 flat angles C4'-P-C4' energy: -91.561 flat angles P-C4'-P energy: -31.540 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -524.109670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.109670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.109670 (E_RNA) where: Base-Base interactions energy: -256.971 where: short stacking energy: -143.005 Base-Backbone interact. energy: -1.203 local terms energy: -265.935207 where: bonds (distance) C4'-P energy: -85.218 bonds (distance) P-C4' energy: -78.298 flat angles C4'-P-C4' energy: -64.542 flat angles P-C4'-P energy: -47.643 tors. eta vs tors. theta energy: 9.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1822.777977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.777977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.777977 (E_RNA) where: Base-Base interactions energy: -1241.132 where: short stacking energy: -549.261 Base-Backbone interact. energy: -3.070 local terms energy: -578.576507 where: bonds (distance) C4'-P energy: -110.585 bonds (distance) P-C4' energy: -103.225 flat angles C4'-P-C4' energy: -119.535 flat angles P-C4'-P energy: -87.636 tors. eta vs tors. theta energy: -157.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1769.476085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.476085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.476085 (E_RNA) where: Base-Base interactions energy: -1203.223 where: short stacking energy: -562.227 Base-Backbone interact. energy: -2.759 local terms energy: -563.494350 where: bonds (distance) C4'-P energy: -95.211 bonds (distance) P-C4' energy: -101.872 flat angles C4'-P-C4' energy: -116.397 flat angles P-C4'-P energy: -84.482 tors. eta vs tors. theta energy: -165.532 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: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1671.667529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.667529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.667529 (E_RNA) where: Base-Base interactions energy: -1126.351 where: short stacking energy: -507.981 Base-Backbone interact. energy: -2.306 local terms energy: -543.010839 where: bonds (distance) C4'-P energy: -101.070 bonds (distance) P-C4' energy: -109.565 flat angles C4'-P-C4' energy: -118.925 flat angles P-C4'-P energy: -74.501 tors. eta vs tors. theta energy: -138.949 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: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1406.520271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.520271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.520271 (E_RNA) where: Base-Base interactions energy: -927.988 where: short stacking energy: -422.275 Base-Backbone interact. energy: -2.942 local terms energy: -475.590500 where: bonds (distance) C4'-P energy: -90.092 bonds (distance) P-C4' energy: -103.001 flat angles C4'-P-C4' energy: -105.511 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -103.349 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: 329 Temperature: 1.100000 Total energy: -1288.433242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.433242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.433242 (E_RNA) where: Base-Base interactions energy: -826.571 where: short stacking energy: -365.914 Base-Backbone interact. energy: -1.967 local terms energy: -459.894711 where: bonds (distance) C4'-P energy: -108.607 bonds (distance) P-C4' energy: -103.231 flat angles C4'-P-C4' energy: -101.252 flat angles P-C4'-P energy: -56.426 tors. eta vs tors. theta energy: -90.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1130.225237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.225237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.225237 (E_RNA) where: Base-Base interactions energy: -752.526 where: short stacking energy: -333.812 Base-Backbone interact. energy: -1.182 local terms energy: -376.516749 where: bonds (distance) C4'-P energy: -74.610 bonds (distance) P-C4' energy: -79.846 flat angles C4'-P-C4' energy: -101.094 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -61.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -891.304416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.304416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.304416 (E_RNA) where: Base-Base interactions energy: -486.032 where: short stacking energy: -278.332 Base-Backbone interact. energy: 0.457 local terms energy: -405.728951 where: bonds (distance) C4'-P energy: -91.607 bonds (distance) P-C4' energy: -104.086 flat angles C4'-P-C4' energy: -102.736 flat angles P-C4'-P energy: -48.593 tors. eta vs tors. theta energy: -58.707 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: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -825.346485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.346485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.346485 (E_RNA) where: Base-Base interactions energy: -518.507 where: short stacking energy: -257.803 Base-Backbone interact. energy: 3.907 local terms energy: -310.746238 where: bonds (distance) C4'-P energy: -62.729 bonds (distance) P-C4' energy: -89.051 flat angles C4'-P-C4' energy: -81.871 flat angles P-C4'-P energy: -44.798 tors. eta vs tors. theta energy: -32.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -628.629396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.629396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.629396 (E_RNA) where: Base-Base interactions energy: -302.764 where: short stacking energy: -182.163 Base-Backbone interact. energy: 2.165 local terms energy: -328.030053 where: bonds (distance) C4'-P energy: -97.097 bonds (distance) P-C4' energy: -100.058 flat angles C4'-P-C4' energy: -86.117 flat angles P-C4'-P energy: -33.820 tors. eta vs tors. theta energy: -10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -609.584330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.584330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.584330 (E_RNA) where: Base-Base interactions energy: -335.531 where: short stacking energy: -184.376 Base-Backbone interact. energy: 1.945 local terms energy: -275.997988 where: bonds (distance) C4'-P energy: -85.755 bonds (distance) P-C4' energy: -70.981 flat angles C4'-P-C4' energy: -72.161 flat angles P-C4'-P energy: -45.248 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1838.513625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.513625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.513625 (E_RNA) where: Base-Base interactions energy: -1263.679 where: short stacking energy: -554.122 Base-Backbone interact. energy: -3.366 local terms energy: -571.469520 where: bonds (distance) C4'-P energy: -103.304 bonds (distance) P-C4' energy: -107.189 flat angles C4'-P-C4' energy: -131.650 flat angles P-C4'-P energy: -76.556 tors. eta vs tors. theta energy: -152.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1778.543386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.543386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.543386 (E_RNA) where: Base-Base interactions energy: -1208.686 where: short stacking energy: -560.832 Base-Backbone interact. energy: -1.927 local terms energy: -567.931009 where: bonds (distance) C4'-P energy: -103.188 bonds (distance) P-C4' energy: -106.101 flat angles C4'-P-C4' energy: -122.939 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: -162.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1651.190986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.190986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.190986 (E_RNA) where: Base-Base interactions energy: -1123.101 where: short stacking energy: -491.008 Base-Backbone interact. energy: -0.019 local terms energy: -528.071174 where: bonds (distance) C4'-P energy: -99.767 bonds (distance) P-C4' energy: -102.736 flat angles C4'-P-C4' energy: -124.282 flat angles P-C4'-P energy: -79.232 tors. eta vs tors. theta energy: -122.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1410.503234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.503234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.503234 (E_RNA) where: Base-Base interactions energy: -923.924 where: short stacking energy: -410.163 Base-Backbone interact. energy: -1.597 local terms energy: -484.981925 where: bonds (distance) C4'-P energy: -108.788 bonds (distance) P-C4' energy: -91.817 flat angles C4'-P-C4' energy: -109.375 flat angles P-C4'-P energy: -68.683 tors. eta vs tors. theta energy: -106.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1262.731420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.731420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.731420 (E_RNA) where: Base-Base interactions energy: -788.000 where: short stacking energy: -371.637 Base-Backbone interact. energy: -1.603 local terms energy: -473.127872 where: bonds (distance) C4'-P energy: -105.065 bonds (distance) P-C4' energy: -103.688 flat angles C4'-P-C4' energy: -109.421 flat angles P-C4'-P energy: -65.954 tors. eta vs tors. theta energy: -89.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1114.373779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.373779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.373779 (E_RNA) where: Base-Base interactions energy: -694.261 where: short stacking energy: -317.070 Base-Backbone interact. energy: 1.276 local terms energy: -421.388949 where: bonds (distance) C4'-P energy: -106.035 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -85.857 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: -63.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -932.477588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.477588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.477588 (E_RNA) where: Base-Base interactions energy: -526.180 where: short stacking energy: -267.987 Base-Backbone interact. energy: 0.628 local terms energy: -406.925838 where: bonds (distance) C4'-P energy: -92.666 bonds (distance) P-C4' energy: -97.755 flat angles C4'-P-C4' energy: -97.136 flat angles P-C4'-P energy: -66.173 tors. eta vs tors. theta energy: -53.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -878.093189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.093189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.093189 (E_RNA) where: Base-Base interactions energy: -503.444 where: short stacking energy: -256.475 Base-Backbone interact. energy: 0.737 local terms energy: -375.385845 where: bonds (distance) C4'-P energy: -100.877 bonds (distance) P-C4' energy: -89.329 flat angles C4'-P-C4' energy: -93.204 flat angles P-C4'-P energy: -46.935 tors. eta vs tors. theta energy: -45.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -676.874217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.874217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.874217 (E_RNA) where: Base-Base interactions energy: -367.969 where: short stacking energy: -203.361 Base-Backbone interact. energy: 2.109 local terms energy: -311.013588 where: bonds (distance) C4'-P energy: -91.688 bonds (distance) P-C4' energy: -76.067 flat angles C4'-P-C4' energy: -66.921 flat angles P-C4'-P energy: -76.127 tors. eta vs tors. theta energy: -0.211 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: 330 Temperature: 1.350000 Total energy: -572.600312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.600312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.600312 (E_RNA) where: Base-Base interactions energy: -283.320 where: short stacking energy: -169.717 Base-Backbone interact. energy: -1.064 local terms energy: -288.216436 where: bonds (distance) C4'-P energy: -77.379 bonds (distance) P-C4' energy: -88.174 flat angles C4'-P-C4' energy: -62.891 flat angles P-C4'-P energy: -49.990 tors. eta vs tors. theta energy: -9.782 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: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1835.785695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.785695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.785695 (E_RNA) where: Base-Base interactions energy: -1238.145 where: short stacking energy: -542.514 Base-Backbone interact. energy: 3.205 local terms energy: -600.846129 where: bonds (distance) C4'-P energy: -110.470 bonds (distance) P-C4' energy: -110.382 flat angles C4'-P-C4' energy: -124.487 flat angles P-C4'-P energy: -85.521 tors. eta vs tors. theta energy: -169.986 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: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1764.893713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.893713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.893713 (E_RNA) where: Base-Base interactions energy: -1196.135 where: short stacking energy: -530.294 Base-Backbone interact. energy: -3.655 local terms energy: -565.102924 where: bonds (distance) C4'-P energy: -101.117 bonds (distance) P-C4' energy: -100.043 flat angles C4'-P-C4' energy: -127.035 flat angles P-C4'-P energy: -77.230 tors. eta vs tors. theta energy: -159.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1652.714736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.714736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.714736 (E_RNA) where: Base-Base interactions energy: -1140.331 where: short stacking energy: -493.039 Base-Backbone interact. energy: 0.574 local terms energy: -512.958506 where: bonds (distance) C4'-P energy: -96.183 bonds (distance) P-C4' energy: -101.253 flat angles C4'-P-C4' energy: -118.058 flat angles P-C4'-P energy: -71.126 tors. eta vs tors. theta energy: -126.338 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: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1420.402852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.402852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.402852 (E_RNA) where: Base-Base interactions energy: -936.361 where: short stacking energy: -430.207 Base-Backbone interact. energy: -0.235 local terms energy: -483.807219 where: bonds (distance) C4'-P energy: -96.552 bonds (distance) P-C4' energy: -100.087 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -67.356 tors. eta vs tors. theta energy: -109.482 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: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1266.165264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.165264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.165264 (E_RNA) where: Base-Base interactions energy: -791.929 where: short stacking energy: -368.417 Base-Backbone interact. energy: 3.554 local terms energy: -477.790511 where: bonds (distance) C4'-P energy: -84.175 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -117.157 flat angles P-C4'-P energy: -66.436 tors. eta vs tors. theta energy: -92.183 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: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1118.177434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.177434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.177434 (E_RNA) where: Base-Base interactions energy: -708.866 where: short stacking energy: -348.138 Base-Backbone interact. energy: 2.466 local terms energy: -411.777467 where: bonds (distance) C4'-P energy: -96.676 bonds (distance) P-C4' energy: -95.003 flat angles C4'-P-C4' energy: -87.476 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -86.594 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: 331 Temperature: 1.200000 Total energy: -889.010745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.010745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.010745 (E_RNA) where: Base-Base interactions energy: -530.437 where: short stacking energy: -272.324 Base-Backbone interact. energy: -3.663 local terms energy: -354.910416 where: bonds (distance) C4'-P energy: -90.926 bonds (distance) P-C4' energy: -94.926 flat angles C4'-P-C4' energy: -78.378 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: -39.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -866.779749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.779749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.779749 (E_RNA) where: Base-Base interactions energy: -505.890 where: short stacking energy: -247.835 Base-Backbone interact. energy: -1.200 local terms energy: -359.690019 where: bonds (distance) C4'-P energy: -85.802 bonds (distance) P-C4' energy: -91.169 flat angles C4'-P-C4' energy: -92.170 flat angles P-C4'-P energy: -57.847 tors. eta vs tors. theta energy: -32.702 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: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -684.946927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.946927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.946927 (E_RNA) where: Base-Base interactions energy: -357.150 where: short stacking energy: -201.428 Base-Backbone interact. energy: -0.211 local terms energy: -327.585983 where: bonds (distance) C4'-P energy: -79.870 bonds (distance) P-C4' energy: -94.491 flat angles C4'-P-C4' energy: -86.141 flat angles P-C4'-P energy: -59.443 tors. eta vs tors. theta energy: -7.642 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: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -544.617146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.617146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.617146 (E_RNA) where: Base-Base interactions energy: -225.131 where: short stacking energy: -120.797 Base-Backbone interact. energy: -1.646 local terms energy: -317.840536 where: bonds (distance) C4'-P energy: -97.962 bonds (distance) P-C4' energy: -98.028 flat angles C4'-P-C4' energy: -81.683 flat angles P-C4'-P energy: -39.929 tors. eta vs tors. theta energy: -0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1830.369912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.369912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.369912 (E_RNA) where: Base-Base interactions energy: -1224.060 where: short stacking energy: -553.374 Base-Backbone interact. energy: -0.793 local terms energy: -605.516989 where: bonds (distance) C4'-P energy: -117.817 bonds (distance) P-C4' energy: -117.172 flat angles C4'-P-C4' energy: -119.316 flat angles P-C4'-P energy: -80.343 tors. eta vs tors. theta energy: -170.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1773.184816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.184816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.184816 (E_RNA) where: Base-Base interactions energy: -1197.250 where: short stacking energy: -524.181 Base-Backbone interact. energy: -4.402 local terms energy: -571.532841 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -107.613 flat angles C4'-P-C4' energy: -122.383 flat angles P-C4'-P energy: -82.893 tors. eta vs tors. theta energy: -157.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1619.318099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.318099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.318099 (E_RNA) where: Base-Base interactions energy: -1100.483 where: short stacking energy: -477.206 Base-Backbone interact. energy: 1.969 local terms energy: -520.804433 where: bonds (distance) C4'-P energy: -97.135 bonds (distance) P-C4' energy: -105.943 flat angles C4'-P-C4' energy: -105.940 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -136.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1407.513972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.513972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.513972 (E_RNA) where: Base-Base interactions energy: -952.570 where: short stacking energy: -415.978 Base-Backbone interact. energy: -3.025 local terms energy: -451.918856 where: bonds (distance) C4'-P energy: -111.599 bonds (distance) P-C4' energy: -94.364 flat angles C4'-P-C4' energy: -89.019 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: -94.114 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: 332 Temperature: 1.100000 Total energy: -1254.014569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.014569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.014569 (E_RNA) where: Base-Base interactions energy: -785.754 where: short stacking energy: -377.537 Base-Backbone interact. energy: -1.384 local terms energy: -466.876454 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -104.822 flat angles C4'-P-C4' energy: -108.293 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: -97.148 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: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1115.297848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.297848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.297848 (E_RNA) where: Base-Base interactions energy: -686.361 where: short stacking energy: -343.673 Base-Backbone interact. energy: -0.873 local terms energy: -428.064416 where: bonds (distance) C4'-P energy: -88.811 bonds (distance) P-C4' energy: -93.594 flat angles C4'-P-C4' energy: -101.389 flat angles P-C4'-P energy: -71.990 tors. eta vs tors. theta energy: -72.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -912.855451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.855451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.855451 (E_RNA) where: Base-Base interactions energy: -538.255 where: short stacking energy: -293.936 Base-Backbone interact. energy: -1.174 local terms energy: -373.426799 where: bonds (distance) C4'-P energy: -91.074 bonds (distance) P-C4' energy: -96.136 flat angles C4'-P-C4' energy: -89.015 flat angles P-C4'-P energy: -47.596 tors. eta vs tors. theta energy: -49.605 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: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -850.031367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.031367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.031367 (E_RNA) where: Base-Base interactions energy: -500.726 where: short stacking energy: -245.225 Base-Backbone interact. energy: 3.384 local terms energy: -352.689265 where: bonds (distance) C4'-P energy: -81.959 bonds (distance) P-C4' energy: -91.847 flat angles C4'-P-C4' energy: -94.663 flat angles P-C4'-P energy: -65.517 tors. eta vs tors. theta energy: -18.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -709.066487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.066487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.066487 (E_RNA) where: Base-Base interactions energy: -365.896 where: short stacking energy: -173.187 Base-Backbone interact. energy: 2.716 local terms energy: -345.886730 where: bonds (distance) C4'-P energy: -85.652 bonds (distance) P-C4' energy: -91.970 flat angles C4'-P-C4' energy: -97.215 flat angles P-C4'-P energy: -52.511 tors. eta vs tors. theta energy: -18.539 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: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -560.694469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.694469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.694469 (E_RNA) where: Base-Base interactions energy: -265.983 where: short stacking energy: -156.796 Base-Backbone interact. energy: 4.666 local terms energy: -299.377581 where: bonds (distance) C4'-P energy: -84.873 bonds (distance) P-C4' energy: -85.528 flat angles C4'-P-C4' energy: -89.761 flat angles P-C4'-P energy: -38.946 tors. eta vs tors. theta energy: -0.271 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: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1812.454798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.454798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.454798 (E_RNA) where: Base-Base interactions energy: -1217.468 where: short stacking energy: -559.719 Base-Backbone interact. energy: 0.029 local terms energy: -595.016137 where: bonds (distance) C4'-P energy: -112.184 bonds (distance) P-C4' energy: -107.674 flat angles C4'-P-C4' energy: -118.684 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -173.024 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: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1782.426287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.426287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.426287 (E_RNA) where: Base-Base interactions energy: -1221.091 where: short stacking energy: -522.953 Base-Backbone interact. energy: -1.620 local terms energy: -559.715464 where: bonds (distance) C4'-P energy: -100.993 bonds (distance) P-C4' energy: -91.422 flat angles C4'-P-C4' energy: -122.747 flat angles P-C4'-P energy: -81.348 tors. eta vs tors. theta energy: -163.206 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: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1597.256953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.256953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.256953 (E_RNA) where: Base-Base interactions energy: -1086.760 where: short stacking energy: -488.832 Base-Backbone interact. energy: -3.465 local terms energy: -507.032228 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -97.534 flat angles C4'-P-C4' energy: -113.876 flat angles P-C4'-P energy: -76.427 tors. eta vs tors. theta energy: -125.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1417.883731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.883731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.883731 (E_RNA) where: Base-Base interactions energy: -929.797 where: short stacking energy: -430.626 Base-Backbone interact. energy: -1.866 local terms energy: -486.221541 where: bonds (distance) C4'-P energy: -116.387 bonds (distance) P-C4' energy: -109.444 flat angles C4'-P-C4' energy: -109.164 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -94.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1239.464416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.464416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.464416 (E_RNA) where: Base-Base interactions energy: -791.466 where: short stacking energy: -366.023 Base-Backbone interact. energy: -1.589 local terms energy: -446.410046 where: bonds (distance) C4'-P energy: -100.563 bonds (distance) P-C4' energy: -91.663 flat angles C4'-P-C4' energy: -103.627 flat angles P-C4'-P energy: -78.168 tors. eta vs tors. theta energy: -72.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1097.598695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.598695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.598695 (E_RNA) where: Base-Base interactions energy: -665.640 where: short stacking energy: -306.341 Base-Backbone interact. energy: 1.197 local terms energy: -433.155950 where: bonds (distance) C4'-P energy: -104.371 bonds (distance) P-C4' energy: -104.091 flat angles C4'-P-C4' energy: -99.420 flat angles P-C4'-P energy: -51.994 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: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -881.911937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.911937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.911937 (E_RNA) where: Base-Base interactions energy: -480.271 where: short stacking energy: -264.145 Base-Backbone interact. energy: 0.443 local terms energy: -402.084826 where: bonds (distance) C4'-P energy: -81.796 bonds (distance) P-C4' energy: -117.982 flat angles C4'-P-C4' energy: -105.838 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -44.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -782.591593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.591593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.591593 (E_RNA) where: Base-Base interactions energy: -424.830 where: short stacking energy: -221.195 Base-Backbone interact. energy: -2.242 local terms energy: -355.519973 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -101.726 flat angles C4'-P-C4' energy: -84.334 flat angles P-C4'-P energy: -48.135 tors. eta vs tors. theta energy: -30.471 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: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -664.515215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.515215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.515215 (E_RNA) where: Base-Base interactions energy: -357.474 where: short stacking energy: -191.165 Base-Backbone interact. energy: -0.939 local terms energy: -306.102972 where: bonds (distance) C4'-P energy: -90.737 bonds (distance) P-C4' energy: -80.238 flat angles C4'-P-C4' energy: -74.748 flat angles P-C4'-P energy: -46.372 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -528.162471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.162471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.162471 (E_RNA) where: Base-Base interactions energy: -240.710 where: short stacking energy: -164.798 Base-Backbone interact. energy: -2.040 local terms energy: -285.412841 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -78.973 flat angles C4'-P-C4' energy: -92.060 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: 5.234 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: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1779.223741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.223741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.223741 (E_RNA) where: Base-Base interactions energy: -1178.842 where: short stacking energy: -531.744 Base-Backbone interact. energy: -2.510 local terms energy: -597.871845 where: bonds (distance) C4'-P energy: -104.068 bonds (distance) P-C4' energy: -113.359 flat angles C4'-P-C4' energy: -131.504 flat angles P-C4'-P energy: -84.762 tors. eta vs tors. theta energy: -164.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1752.666839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.666839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.666839 (E_RNA) where: Base-Base interactions energy: -1218.307 where: short stacking energy: -548.793 Base-Backbone interact. energy: -0.843 local terms energy: -533.517012 where: bonds (distance) C4'-P energy: -89.044 bonds (distance) P-C4' energy: -98.627 flat angles C4'-P-C4' energy: -112.089 flat angles P-C4'-P energy: -77.916 tors. eta vs tors. theta energy: -155.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1639.680003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.680003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.680003 (E_RNA) where: Base-Base interactions energy: -1118.843 where: short stacking energy: -494.982 Base-Backbone interact. energy: -4.391 local terms energy: -516.446152 where: bonds (distance) C4'-P energy: -87.785 bonds (distance) P-C4' energy: -105.974 flat angles C4'-P-C4' energy: -117.573 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: -128.810 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: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1372.838447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.838447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.838447 (E_RNA) where: Base-Base interactions energy: -902.327 where: short stacking energy: -398.092 Base-Backbone interact. energy: 0.839 local terms energy: -471.349942 where: bonds (distance) C4'-P energy: -102.315 bonds (distance) P-C4' energy: -96.674 flat angles C4'-P-C4' energy: -105.069 flat angles P-C4'-P energy: -75.796 tors. eta vs tors. theta energy: -91.496 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: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1296.648753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.648753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.648753 (E_RNA) where: Base-Base interactions energy: -822.066 where: short stacking energy: -404.727 Base-Backbone interact. energy: -1.094 local terms energy: -473.488479 where: bonds (distance) C4'-P energy: -94.342 bonds (distance) P-C4' energy: -88.024 flat angles C4'-P-C4' energy: -112.306 flat angles P-C4'-P energy: -74.584 tors. eta vs tors. theta energy: -104.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1094.775851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.775851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.775851 (E_RNA) where: Base-Base interactions energy: -660.802 where: short stacking energy: -320.154 Base-Backbone interact. energy: -3.011 local terms energy: -430.962568 where: bonds (distance) C4'-P energy: -94.479 bonds (distance) P-C4' energy: -103.023 flat angles C4'-P-C4' energy: -85.835 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -87.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -871.775789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.775789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.775789 (E_RNA) where: Base-Base interactions energy: -517.028 where: short stacking energy: -278.238 Base-Backbone interact. energy: 0.299 local terms energy: -355.047351 where: bonds (distance) C4'-P energy: -95.246 bonds (distance) P-C4' energy: -99.777 flat angles C4'-P-C4' energy: -79.423 flat angles P-C4'-P energy: -40.086 tors. eta vs tors. theta energy: -40.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -832.405852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.405852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.405852 (E_RNA) where: Base-Base interactions energy: -498.099 where: short stacking energy: -244.475 Base-Backbone interact. energy: -1.644 local terms energy: -332.662022 where: bonds (distance) C4'-P energy: -90.368 bonds (distance) P-C4' energy: -90.025 flat angles C4'-P-C4' energy: -83.627 flat angles P-C4'-P energy: -37.834 tors. eta vs tors. theta energy: -30.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -749.490427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.490427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.490427 (E_RNA) where: Base-Base interactions energy: -396.885 where: short stacking energy: -205.034 Base-Backbone interact. energy: 3.117 local terms energy: -355.722847 where: bonds (distance) C4'-P energy: -95.192 bonds (distance) P-C4' energy: -95.246 flat angles C4'-P-C4' energy: -88.696 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -23.785 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: 334 Temperature: 1.350000 Total energy: -556.452085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.452085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.452085 (E_RNA) where: Base-Base interactions energy: -243.391 where: short stacking energy: -155.952 Base-Backbone interact. energy: 2.409 local terms energy: -315.470743 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -96.191 flat angles C4'-P-C4' energy: -91.120 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: 14.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1810.411138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.411138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.411138 (E_RNA) where: Base-Base interactions energy: -1200.648 where: short stacking energy: -566.712 Base-Backbone interact. energy: -3.079 local terms energy: -606.683874 where: bonds (distance) C4'-P energy: -113.413 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -132.682 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -164.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1773.282565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.282565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.282565 (E_RNA) where: Base-Base interactions energy: -1231.223 where: short stacking energy: -517.001 Base-Backbone interact. energy: -0.999 local terms energy: -541.060277 where: bonds (distance) C4'-P energy: -94.689 bonds (distance) P-C4' energy: -112.031 flat angles C4'-P-C4' energy: -116.807 flat angles P-C4'-P energy: -69.431 tors. eta vs tors. theta energy: -148.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1647.967297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.967297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.967297 (E_RNA) where: Base-Base interactions energy: -1134.785 where: short stacking energy: -508.281 Base-Backbone interact. energy: 3.260 local terms energy: -516.441962 where: bonds (distance) C4'-P energy: -109.482 bonds (distance) P-C4' energy: -101.193 flat angles C4'-P-C4' energy: -110.167 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -121.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1426.892216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.892216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.892216 (E_RNA) where: Base-Base interactions energy: -953.387 where: short stacking energy: -411.840 Base-Backbone interact. energy: 0.023 local terms energy: -473.528436 where: bonds (distance) C4'-P energy: -108.972 bonds (distance) P-C4' energy: -111.803 flat angles C4'-P-C4' energy: -95.077 flat angles P-C4'-P energy: -58.646 tors. eta vs tors. theta energy: -99.030 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: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1310.278723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.278723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.278723 (E_RNA) where: Base-Base interactions energy: -845.583 where: short stacking energy: -391.339 Base-Backbone interact. energy: -1.310 local terms energy: -463.385998 where: bonds (distance) C4'-P energy: -100.671 bonds (distance) P-C4' energy: -93.703 flat angles C4'-P-C4' energy: -107.952 flat angles P-C4'-P energy: -64.737 tors. eta vs tors. theta energy: -96.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1069.485900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.485900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.485900 (E_RNA) where: Base-Base interactions energy: -664.154 where: short stacking energy: -293.166 Base-Backbone interact. energy: -5.331 local terms energy: -400.000787 where: bonds (distance) C4'-P energy: -85.874 bonds (distance) P-C4' energy: -92.911 flat angles C4'-P-C4' energy: -98.543 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -52.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -940.890817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.890817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.890817 (E_RNA) where: Base-Base interactions energy: -511.480 where: short stacking energy: -268.589 Base-Backbone interact. energy: 0.150 local terms energy: -429.561193 where: bonds (distance) C4'-P energy: -93.005 bonds (distance) P-C4' energy: -119.612 flat angles C4'-P-C4' energy: -88.954 flat angles P-C4'-P energy: -71.449 tors. eta vs tors. theta energy: -56.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -843.106465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.106465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.106465 (E_RNA) where: Base-Base interactions energy: -471.815 where: short stacking energy: -223.147 Base-Backbone interact. energy: -5.724 local terms energy: -365.567740 where: bonds (distance) C4'-P energy: -106.295 bonds (distance) P-C4' energy: -99.076 flat angles C4'-P-C4' energy: -71.765 flat angles P-C4'-P energy: -50.259 tors. eta vs tors. theta energy: -38.172 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: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -748.006763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.006763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.006763 (E_RNA) where: Base-Base interactions energy: -430.934 where: short stacking energy: -251.968 Base-Backbone interact. energy: 2.040 local terms energy: -319.112617 where: bonds (distance) C4'-P energy: -64.816 bonds (distance) P-C4' energy: -73.239 flat angles C4'-P-C4' energy: -84.186 flat angles P-C4'-P energy: -59.095 tors. eta vs tors. theta energy: -37.777 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: 335 Temperature: 1.350000 Total energy: -502.189111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.189111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.189111 (E_RNA) where: Base-Base interactions energy: -212.332 where: short stacking energy: -125.903 Base-Backbone interact. energy: 1.222 local terms energy: -291.079984 where: bonds (distance) C4'-P energy: -80.363 bonds (distance) P-C4' energy: -89.744 flat angles C4'-P-C4' energy: -84.459 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: 13.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1822.975851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.975851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.975851 (E_RNA) where: Base-Base interactions energy: -1230.171 where: short stacking energy: -561.629 Base-Backbone interact. energy: -0.772 local terms energy: -592.032472 where: bonds (distance) C4'-P energy: -115.235 bonds (distance) P-C4' energy: -103.445 flat angles C4'-P-C4' energy: -121.010 flat angles P-C4'-P energy: -85.212 tors. eta vs tors. theta energy: -167.130 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: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1753.178128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.178128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.178128 (E_RNA) where: Base-Base interactions energy: -1183.991 where: short stacking energy: -496.758 Base-Backbone interact. energy: -1.454 local terms energy: -567.733151 where: bonds (distance) C4'-P energy: -102.060 bonds (distance) P-C4' energy: -112.877 flat angles C4'-P-C4' energy: -116.403 flat angles P-C4'-P energy: -79.660 tors. eta vs tors. theta energy: -156.733 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: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1646.683416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.683416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.683416 (E_RNA) where: Base-Base interactions energy: -1099.054 where: short stacking energy: -477.272 Base-Backbone interact. energy: 0.568 local terms energy: -548.197345 where: bonds (distance) C4'-P energy: -101.586 bonds (distance) P-C4' energy: -107.125 flat angles C4'-P-C4' energy: -121.887 flat angles P-C4'-P energy: -94.081 tors. eta vs tors. theta energy: -123.518 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: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1483.605372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.605372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.605372 (E_RNA) where: Base-Base interactions energy: -967.055 where: short stacking energy: -434.631 Base-Backbone interact. energy: 0.213 local terms energy: -516.763860 where: bonds (distance) C4'-P energy: -105.108 bonds (distance) P-C4' energy: -103.225 flat angles C4'-P-C4' energy: -104.491 flat angles P-C4'-P energy: -85.665 tors. eta vs tors. theta energy: -118.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1325.057765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.057765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.057765 (E_RNA) where: Base-Base interactions energy: -856.700 where: short stacking energy: -390.135 Base-Backbone interact. energy: 1.382 local terms energy: -469.740328 where: bonds (distance) C4'-P energy: -100.357 bonds (distance) P-C4' energy: -102.679 flat angles C4'-P-C4' energy: -98.911 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -105.939 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: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1068.408609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.408609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.408609 (E_RNA) where: Base-Base interactions energy: -652.116 where: short stacking energy: -313.491 Base-Backbone interact. energy: 1.613 local terms energy: -417.905781 where: bonds (distance) C4'-P energy: -78.147 bonds (distance) P-C4' energy: -90.684 flat angles C4'-P-C4' energy: -96.580 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -74.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -963.170429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.170429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.170429 (E_RNA) where: Base-Base interactions energy: -549.161 where: short stacking energy: -261.656 Base-Backbone interact. energy: 0.746 local terms energy: -414.755645 where: bonds (distance) C4'-P energy: -86.966 bonds (distance) P-C4' energy: -110.228 flat angles C4'-P-C4' energy: -110.233 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: -61.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -838.897555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.897555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.897555 (E_RNA) where: Base-Base interactions energy: -491.668 where: short stacking energy: -202.184 Base-Backbone interact. energy: -0.310 local terms energy: -346.919633 where: bonds (distance) C4'-P energy: -99.295 bonds (distance) P-C4' energy: -90.791 flat angles C4'-P-C4' energy: -82.738 flat angles P-C4'-P energy: -47.054 tors. eta vs tors. theta energy: -27.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -699.315094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.315094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.315094 (E_RNA) where: Base-Base interactions energy: -363.246 where: short stacking energy: -180.662 Base-Backbone interact. energy: -0.659 local terms energy: -335.409809 where: bonds (distance) C4'-P energy: -82.986 bonds (distance) P-C4' energy: -106.157 flat angles C4'-P-C4' energy: -89.271 flat angles P-C4'-P energy: -47.155 tors. eta vs tors. theta energy: -9.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -516.062098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.062098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.062098 (E_RNA) where: Base-Base interactions energy: -235.378 where: short stacking energy: -146.945 Base-Backbone interact. energy: 2.418 local terms energy: -283.101504 where: bonds (distance) C4'-P energy: -80.024 bonds (distance) P-C4' energy: -87.896 flat angles C4'-P-C4' energy: -77.954 flat angles P-C4'-P energy: -44.333 tors. eta vs tors. theta energy: 7.106 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: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1813.042643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.042643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.042643 (E_RNA) where: Base-Base interactions energy: -1211.869 where: short stacking energy: -547.828 Base-Backbone interact. energy: -2.431 local terms energy: -598.742752 where: bonds (distance) C4'-P energy: -115.470 bonds (distance) P-C4' energy: -108.608 flat angles C4'-P-C4' energy: -130.886 flat angles P-C4'-P energy: -77.959 tors. eta vs tors. theta energy: -165.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1748.679902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.679902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.679902 (E_RNA) where: Base-Base interactions energy: -1157.338 where: short stacking energy: -522.955 Base-Backbone interact. energy: -1.949 local terms energy: -589.392959 where: bonds (distance) C4'-P energy: -116.929 bonds (distance) P-C4' energy: -104.606 flat angles C4'-P-C4' energy: -124.865 flat angles P-C4'-P energy: -83.454 tors. eta vs tors. theta energy: -159.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1596.681947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.681947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.681947 (E_RNA) where: Base-Base interactions energy: -1086.982 where: short stacking energy: -478.360 Base-Backbone interact. energy: -1.660 local terms energy: -508.039782 where: bonds (distance) C4'-P energy: -105.970 bonds (distance) P-C4' energy: -99.847 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -118.783 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: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1431.337667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.337667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.337667 (E_RNA) where: Base-Base interactions energy: -940.712 where: short stacking energy: -424.545 Base-Backbone interact. energy: -0.001 local terms energy: -490.625026 where: bonds (distance) C4'-P energy: -101.809 bonds (distance) P-C4' energy: -99.652 flat angles C4'-P-C4' energy: -97.274 flat angles P-C4'-P energy: -81.609 tors. eta vs tors. theta energy: -110.281 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: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1312.675663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.675663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.675663 (E_RNA) where: Base-Base interactions energy: -855.863 where: short stacking energy: -385.454 Base-Backbone interact. energy: -2.947 local terms energy: -453.865695 where: bonds (distance) C4'-P energy: -97.692 bonds (distance) P-C4' energy: -100.378 flat angles C4'-P-C4' energy: -96.206 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -95.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1051.618897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.618897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.618897 (E_RNA) where: Base-Base interactions energy: -661.645 where: short stacking energy: -312.528 Base-Backbone interact. energy: -4.083 local terms energy: -385.890905 where: bonds (distance) C4'-P energy: -82.165 bonds (distance) P-C4' energy: -95.398 flat angles C4'-P-C4' energy: -91.800 flat angles P-C4'-P energy: -63.250 tors. eta vs tors. theta energy: -53.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -966.731129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.731129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.731129 (E_RNA) where: Base-Base interactions energy: -578.798 where: short stacking energy: -294.378 Base-Backbone interact. energy: -2.268 local terms energy: -385.665075 where: bonds (distance) C4'-P energy: -89.199 bonds (distance) P-C4' energy: -93.187 flat angles C4'-P-C4' energy: -100.409 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -46.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -870.585791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.585791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.585791 (E_RNA) where: Base-Base interactions energy: -504.805 where: short stacking energy: -274.626 Base-Backbone interact. energy: 1.728 local terms energy: -367.508346 where: bonds (distance) C4'-P energy: -93.177 bonds (distance) P-C4' energy: -91.161 flat angles C4'-P-C4' energy: -90.934 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -47.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -678.742384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.742384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.742384 (E_RNA) where: Base-Base interactions energy: -367.303 where: short stacking energy: -206.137 Base-Backbone interact. energy: -2.008 local terms energy: -309.431819 where: bonds (distance) C4'-P energy: -98.722 bonds (distance) P-C4' energy: -95.438 flat angles C4'-P-C4' energy: -64.479 flat angles P-C4'-P energy: -48.765 tors. eta vs tors. theta energy: -2.028 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: 337 Temperature: 1.350000 Total energy: -505.307490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.307490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.307490 (E_RNA) where: Base-Base interactions energy: -197.964 where: short stacking energy: -128.039 Base-Backbone interact. energy: 1.494 local terms energy: -308.837107 where: bonds (distance) C4'-P energy: -88.813 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -76.817 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1794.798192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.798192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.798192 (E_RNA) where: Base-Base interactions energy: -1210.321 where: short stacking energy: -542.275 Base-Backbone interact. energy: -4.411 local terms energy: -580.066520 where: bonds (distance) C4'-P energy: -104.747 bonds (distance) P-C4' energy: -121.875 flat angles C4'-P-C4' energy: -110.870 flat angles P-C4'-P energy: -86.197 tors. eta vs tors. theta energy: -156.377 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: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1730.756824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.756824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.756824 (E_RNA) where: Base-Base interactions energy: -1160.911 where: short stacking energy: -529.517 Base-Backbone interact. energy: -2.549 local terms energy: -567.296643 where: bonds (distance) C4'-P energy: -113.071 bonds (distance) P-C4' energy: -109.087 flat angles C4'-P-C4' energy: -124.451 flat angles P-C4'-P energy: -71.117 tors. eta vs tors. theta energy: -149.570 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: 338 Temperature: 1.000000 Total energy: -1600.840330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.840330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.840330 (E_RNA) where: Base-Base interactions energy: -1057.922 where: short stacking energy: -475.230 Base-Backbone interact. energy: -0.899 local terms energy: -542.019567 where: bonds (distance) C4'-P energy: -107.637 bonds (distance) P-C4' energy: -106.720 flat angles C4'-P-C4' energy: -125.849 flat angles P-C4'-P energy: -80.288 tors. eta vs tors. theta energy: -121.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1446.832190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.832190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.832190 (E_RNA) where: Base-Base interactions energy: -948.272 where: short stacking energy: -414.253 Base-Backbone interact. energy: 2.366 local terms energy: -500.926827 where: bonds (distance) C4'-P energy: -102.771 bonds (distance) P-C4' energy: -117.941 flat angles C4'-P-C4' energy: -107.841 flat angles P-C4'-P energy: -72.317 tors. eta vs tors. theta energy: -100.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1274.834277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.834277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.834277 (E_RNA) where: Base-Base interactions energy: -802.826 where: short stacking energy: -384.062 Base-Backbone interact. energy: -2.132 local terms energy: -469.876535 where: bonds (distance) C4'-P energy: -82.048 bonds (distance) P-C4' energy: -114.736 flat angles C4'-P-C4' energy: -109.682 flat angles P-C4'-P energy: -70.028 tors. eta vs tors. theta energy: -93.382 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: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1099.576940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.576940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.576940 (E_RNA) where: Base-Base interactions energy: -687.765 where: short stacking energy: -313.478 Base-Backbone interact. energy: -0.052 local terms energy: -411.760242 where: bonds (distance) C4'-P energy: -71.664 bonds (distance) P-C4' energy: -102.411 flat angles C4'-P-C4' energy: -107.939 flat angles P-C4'-P energy: -55.415 tors. eta vs tors. theta energy: -74.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -902.233507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.233507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.233507 (E_RNA) where: Base-Base interactions energy: -531.576 where: short stacking energy: -261.924 Base-Backbone interact. energy: -1.705 local terms energy: -368.952953 where: bonds (distance) C4'-P energy: -79.750 bonds (distance) P-C4' energy: -96.626 flat angles C4'-P-C4' energy: -88.475 flat angles P-C4'-P energy: -63.803 tors. eta vs tors. theta energy: -40.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -866.739775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.739775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.739775 (E_RNA) where: Base-Base interactions energy: -486.315 where: short stacking energy: -251.625 Base-Backbone interact. energy: -1.751 local terms energy: -378.673236 where: bonds (distance) C4'-P energy: -91.305 bonds (distance) P-C4' energy: -103.341 flat angles C4'-P-C4' energy: -97.105 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: -39.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -767.631419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.631419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.631419 (E_RNA) where: Base-Base interactions energy: -416.965 where: short stacking energy: -203.307 Base-Backbone interact. energy: -0.431 local terms energy: -350.234865 where: bonds (distance) C4'-P energy: -90.298 bonds (distance) P-C4' energy: -90.662 flat angles C4'-P-C4' energy: -92.127 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -24.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -468.422769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.422769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.422769 (E_RNA) where: Base-Base interactions energy: -186.036 where: short stacking energy: -123.004 Base-Backbone interact. energy: -2.290 local terms energy: -280.096392 where: bonds (distance) C4'-P energy: -97.985 bonds (distance) P-C4' energy: -91.269 flat angles C4'-P-C4' energy: -76.182 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: 24.668 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: 1, replica: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1813.657836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.657836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.657836 (E_RNA) where: Base-Base interactions energy: -1209.903 where: short stacking energy: -548.564 Base-Backbone interact. energy: -2.562 local terms energy: -601.193149 where: bonds (distance) C4'-P energy: -108.626 bonds (distance) P-C4' energy: -111.524 flat angles C4'-P-C4' energy: -125.545 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -159.183 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: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1791.803188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.803188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.803188 (E_RNA) where: Base-Base interactions energy: -1196.895 where: short stacking energy: -548.955 Base-Backbone interact. energy: -4.675 local terms energy: -590.233656 where: bonds (distance) C4'-P energy: -104.855 bonds (distance) P-C4' energy: -110.524 flat angles C4'-P-C4' energy: -128.887 flat angles P-C4'-P energy: -85.164 tors. eta vs tors. theta energy: -160.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1649.735382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.735382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.735382 (E_RNA) where: Base-Base interactions energy: -1109.103 where: short stacking energy: -518.171 Base-Backbone interact. energy: -3.715 local terms energy: -536.917586 where: bonds (distance) C4'-P energy: -87.206 bonds (distance) P-C4' energy: -122.288 flat angles C4'-P-C4' energy: -122.539 flat angles P-C4'-P energy: -71.462 tors. eta vs tors. theta energy: -133.423 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: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1417.705339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.705339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.705339 (E_RNA) where: Base-Base interactions energy: -934.701 where: short stacking energy: -426.174 Base-Backbone interact. energy: -0.127 local terms energy: -482.876890 where: bonds (distance) C4'-P energy: -114.271 bonds (distance) P-C4' energy: -99.937 flat angles C4'-P-C4' energy: -101.041 flat angles P-C4'-P energy: -62.640 tors. eta vs tors. theta energy: -104.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1317.595854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.595854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.595854 (E_RNA) where: Base-Base interactions energy: -831.119 where: short stacking energy: -391.696 Base-Backbone interact. energy: -2.631 local terms energy: -483.845903 where: bonds (distance) C4'-P energy: -104.494 bonds (distance) P-C4' energy: -103.049 flat angles C4'-P-C4' energy: -111.443 flat angles P-C4'-P energy: -68.417 tors. eta vs tors. theta energy: -96.442 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: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1153.602700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.602700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.602700 (E_RNA) where: Base-Base interactions energy: -716.361 where: short stacking energy: -363.314 Base-Backbone interact. energy: -3.022 local terms energy: -434.220422 where: bonds (distance) C4'-P energy: -97.865 bonds (distance) P-C4' energy: -93.829 flat angles C4'-P-C4' energy: -94.256 flat angles P-C4'-P energy: -60.912 tors. eta vs tors. theta energy: -87.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -859.990532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.990532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.990532 (E_RNA) where: Base-Base interactions energy: -482.561 where: short stacking energy: -240.616 Base-Backbone interact. energy: -2.283 local terms energy: -375.147133 where: bonds (distance) C4'-P energy: -95.551 bonds (distance) P-C4' energy: -103.109 flat angles C4'-P-C4' energy: -78.851 flat angles P-C4'-P energy: -54.369 tors. eta vs tors. theta energy: -43.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -849.674270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.674270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.674270 (E_RNA) where: Base-Base interactions energy: -501.376 where: short stacking energy: -252.329 Base-Backbone interact. energy: 4.176 local terms energy: -352.474294 where: bonds (distance) C4'-P energy: -89.432 bonds (distance) P-C4' energy: -91.216 flat angles C4'-P-C4' energy: -79.965 flat angles P-C4'-P energy: -58.909 tors. eta vs tors. theta energy: -32.952 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: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -710.955850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.955850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.955850 (E_RNA) where: Base-Base interactions energy: -391.499 where: short stacking energy: -209.324 Base-Backbone interact. energy: 6.133 local terms energy: -325.590175 where: bonds (distance) C4'-P energy: -98.947 bonds (distance) P-C4' energy: -87.613 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -62.701 tors. eta vs tors. theta energy: -5.842 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: 339 Temperature: 1.350000 Total energy: -448.154905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.154905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.154905 (E_RNA) where: Base-Base interactions energy: -141.065 where: short stacking energy: -104.236 Base-Backbone interact. energy: -1.466 local terms energy: -305.623923 where: bonds (distance) C4'-P energy: -81.050 bonds (distance) P-C4' energy: -86.064 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -62.942 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1829.934322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.934322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.934322 (E_RNA) where: Base-Base interactions energy: -1229.035 where: short stacking energy: -564.045 Base-Backbone interact. energy: -5.346 local terms energy: -595.552741 where: bonds (distance) C4'-P energy: -98.141 bonds (distance) P-C4' energy: -120.626 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -84.724 tors. eta vs tors. theta energy: -162.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1763.500457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.500457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.500457 (E_RNA) where: Base-Base interactions energy: -1199.322 where: short stacking energy: -526.520 Base-Backbone interact. energy: -2.194 local terms energy: -561.984664 where: bonds (distance) C4'-P energy: -100.600 bonds (distance) P-C4' energy: -103.941 flat angles C4'-P-C4' energy: -119.744 flat angles P-C4'-P energy: -81.720 tors. eta vs tors. theta energy: -155.979 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: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1597.730919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.730919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.730919 (E_RNA) where: Base-Base interactions energy: -1089.739 where: short stacking energy: -477.936 Base-Backbone interact. energy: -0.213 local terms energy: -507.778684 where: bonds (distance) C4'-P energy: -104.606 bonds (distance) P-C4' energy: -96.690 flat angles C4'-P-C4' energy: -118.936 flat angles P-C4'-P energy: -69.540 tors. eta vs tors. theta energy: -118.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1420.277934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.277934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.277934 (E_RNA) where: Base-Base interactions energy: -909.262 where: short stacking energy: -401.483 Base-Backbone interact. energy: -0.659 local terms energy: -510.356454 where: bonds (distance) C4'-P energy: -104.756 bonds (distance) P-C4' energy: -111.078 flat angles C4'-P-C4' energy: -117.137 flat angles P-C4'-P energy: -80.911 tors. eta vs tors. theta energy: -96.474 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: 340 Temperature: 1.100000 Total energy: -1295.710818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.710818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.710818 (E_RNA) where: Base-Base interactions energy: -842.540 where: short stacking energy: -412.030 Base-Backbone interact. energy: -1.229 local terms energy: -451.941367 where: bonds (distance) C4'-P energy: -90.378 bonds (distance) P-C4' energy: -96.408 flat angles C4'-P-C4' energy: -114.680 flat angles P-C4'-P energy: -55.828 tors. eta vs tors. theta energy: -94.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1170.371678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.371678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.371678 (E_RNA) where: Base-Base interactions energy: -743.994 where: short stacking energy: -347.859 Base-Backbone interact. energy: -0.398 local terms energy: -425.980123 where: bonds (distance) C4'-P energy: -95.328 bonds (distance) P-C4' energy: -101.386 flat angles C4'-P-C4' energy: -104.966 flat angles P-C4'-P energy: -40.433 tors. eta vs tors. theta energy: -83.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -953.230497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.230497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.230497 (E_RNA) where: Base-Base interactions energy: -570.244 where: short stacking energy: -282.263 Base-Backbone interact. energy: 7.263 local terms energy: -390.249102 where: bonds (distance) C4'-P energy: -95.550 bonds (distance) P-C4' energy: -101.041 flat angles C4'-P-C4' energy: -98.745 flat angles P-C4'-P energy: -47.608 tors. eta vs tors. theta energy: -47.305 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: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -827.035316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.035316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.035316 (E_RNA) where: Base-Base interactions energy: -480.111 where: short stacking energy: -240.765 Base-Backbone interact. energy: 2.288 local terms energy: -349.212108 where: bonds (distance) C4'-P energy: -82.252 bonds (distance) P-C4' energy: -96.650 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: -30.174 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: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -737.782534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.782534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.782534 (E_RNA) where: Base-Base interactions energy: -419.987 where: short stacking energy: -178.642 Base-Backbone interact. energy: 4.227 local terms energy: -322.022992 where: bonds (distance) C4'-P energy: -78.638 bonds (distance) P-C4' energy: -93.591 flat angles C4'-P-C4' energy: -81.664 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -4.579 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: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -476.538630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.538630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.538630 (E_RNA) where: Base-Base interactions energy: -182.639 where: short stacking energy: -150.951 Base-Backbone interact. energy: 2.175 local terms energy: -296.074447 where: bonds (distance) C4'-P energy: -85.637 bonds (distance) P-C4' energy: -72.767 flat angles C4'-P-C4' energy: -81.825 flat angles P-C4'-P energy: -55.424 tors. eta vs tors. theta energy: -0.420 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: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1798.542483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.542483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.542483 (E_RNA) where: Base-Base interactions energy: -1199.882 where: short stacking energy: -541.804 Base-Backbone interact. energy: -3.397 local terms energy: -595.263658 where: bonds (distance) C4'-P energy: -98.763 bonds (distance) P-C4' energy: -114.597 flat angles C4'-P-C4' energy: -132.241 flat angles P-C4'-P energy: -83.497 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: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1754.418867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.418867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.418867 (E_RNA) where: Base-Base interactions energy: -1203.771 where: short stacking energy: -528.243 Base-Backbone interact. energy: 0.030 local terms energy: -550.678029 where: bonds (distance) C4'-P energy: -91.271 bonds (distance) P-C4' energy: -112.471 flat angles C4'-P-C4' energy: -115.320 flat angles P-C4'-P energy: -74.606 tors. eta vs tors. theta energy: -157.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1591.675321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.675321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.675321 (E_RNA) where: Base-Base interactions energy: -1098.096 where: short stacking energy: -494.480 Base-Backbone interact. energy: -2.522 local terms energy: -491.057637 where: bonds (distance) C4'-P energy: -93.086 bonds (distance) P-C4' energy: -100.330 flat angles C4'-P-C4' energy: -103.761 flat angles P-C4'-P energy: -74.090 tors. eta vs tors. theta energy: -119.791 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: 341 Temperature: 1.050000 Total energy: -1448.502491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.502491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.502491 (E_RNA) where: Base-Base interactions energy: -944.917 where: short stacking energy: -415.890 Base-Backbone interact. energy: -3.100 local terms energy: -500.486019 where: bonds (distance) C4'-P energy: -101.559 bonds (distance) P-C4' energy: -102.592 flat angles C4'-P-C4' energy: -106.859 flat angles P-C4'-P energy: -73.656 tors. eta vs tors. theta energy: -115.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1291.410840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.410840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.410840 (E_RNA) where: Base-Base interactions energy: -847.282 where: short stacking energy: -376.699 Base-Backbone interact. energy: -0.697 local terms energy: -443.431809 where: bonds (distance) C4'-P energy: -98.832 bonds (distance) P-C4' energy: -98.968 flat angles C4'-P-C4' energy: -101.298 flat angles P-C4'-P energy: -66.481 tors. eta vs tors. theta energy: -77.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1171.336569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.336569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.336569 (E_RNA) where: Base-Base interactions energy: -743.240 where: short stacking energy: -351.401 Base-Backbone interact. energy: 3.146 local terms energy: -431.241962 where: bonds (distance) C4'-P energy: -81.271 bonds (distance) P-C4' energy: -93.955 flat angles C4'-P-C4' energy: -104.060 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -86.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -993.066739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.066739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.066739 (E_RNA) where: Base-Base interactions energy: -596.899 where: short stacking energy: -288.664 Base-Backbone interact. energy: -3.229 local terms energy: -392.938443 where: bonds (distance) C4'-P energy: -104.145 bonds (distance) P-C4' energy: -108.293 flat angles C4'-P-C4' energy: -86.191 flat angles P-C4'-P energy: -62.520 tors. eta vs tors. theta energy: -31.790 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: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -824.147578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.147578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.147578 (E_RNA) where: Base-Base interactions energy: -481.041 where: short stacking energy: -225.852 Base-Backbone interact. energy: -3.005 local terms energy: -340.101906 where: bonds (distance) C4'-P energy: -78.271 bonds (distance) P-C4' energy: -89.128 flat angles C4'-P-C4' energy: -84.616 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -32.921 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: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -740.962781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.962781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.962781 (E_RNA) where: Base-Base interactions energy: -395.156 where: short stacking energy: -218.216 Base-Backbone interact. energy: -3.281 local terms energy: -342.525595 where: bonds (distance) C4'-P energy: -88.008 bonds (distance) P-C4' energy: -109.379 flat angles C4'-P-C4' energy: -84.629 flat angles P-C4'-P energy: -44.693 tors. eta vs tors. theta energy: -15.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -419.216638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.216638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.216638 (E_RNA) where: Base-Base interactions energy: -140.933 where: short stacking energy: -99.102 Base-Backbone interact. energy: 0.020 local terms energy: -278.304087 where: bonds (distance) C4'-P energy: -75.787 bonds (distance) P-C4' energy: -98.238 flat angles C4'-P-C4' energy: -77.337 flat angles P-C4'-P energy: -46.875 tors. eta vs tors. theta energy: 19.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1799.015780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.015780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.015780 (E_RNA) where: Base-Base interactions energy: -1200.656 where: short stacking energy: -555.348 Base-Backbone interact. energy: -2.097 local terms energy: -596.263093 where: bonds (distance) C4'-P energy: -97.581 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -130.972 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -169.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1755.730396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.730396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.730396 (E_RNA) where: Base-Base interactions energy: -1165.808 where: short stacking energy: -541.570 Base-Backbone interact. energy: -3.190 local terms energy: -586.731884 where: bonds (distance) C4'-P energy: -111.220 bonds (distance) P-C4' energy: -112.115 flat angles C4'-P-C4' energy: -121.913 flat angles P-C4'-P energy: -73.073 tors. eta vs tors. theta energy: -168.411 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: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1595.713700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.713700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.713700 (E_RNA) where: Base-Base interactions energy: -1084.451 where: short stacking energy: -490.808 Base-Backbone interact. energy: -5.287 local terms energy: -505.974970 where: bonds (distance) C4'-P energy: -105.277 bonds (distance) P-C4' energy: -90.199 flat angles C4'-P-C4' energy: -114.178 flat angles P-C4'-P energy: -75.010 tors. eta vs tors. theta energy: -121.310 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: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1405.944914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.944914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.944914 (E_RNA) where: Base-Base interactions energy: -915.892 where: short stacking energy: -402.940 Base-Backbone interact. energy: -0.372 local terms energy: -489.681375 where: bonds (distance) C4'-P energy: -106.466 bonds (distance) P-C4' energy: -101.354 flat angles C4'-P-C4' energy: -108.554 flat angles P-C4'-P energy: -70.896 tors. eta vs tors. theta energy: -102.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1298.354187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.354187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.354187 (E_RNA) where: Base-Base interactions energy: -810.650 where: short stacking energy: -384.234 Base-Backbone interact. energy: -0.227 local terms energy: -487.477283 where: bonds (distance) C4'-P energy: -104.016 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -105.170 flat angles P-C4'-P energy: -74.721 tors. eta vs tors. theta energy: -108.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1187.358838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.358838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.358838 (E_RNA) where: Base-Base interactions energy: -762.891 where: short stacking energy: -348.670 Base-Backbone interact. energy: -0.787 local terms energy: -423.680314 where: bonds (distance) C4'-P energy: -94.136 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -93.227 flat angles P-C4'-P energy: -59.349 tors. eta vs tors. theta energy: -82.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -923.604106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.604106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.604106 (E_RNA) where: Base-Base interactions energy: -533.427 where: short stacking energy: -273.698 Base-Backbone interact. energy: -3.670 local terms energy: -386.507283 where: bonds (distance) C4'-P energy: -93.261 bonds (distance) P-C4' energy: -95.136 flat angles C4'-P-C4' energy: -99.185 flat angles P-C4'-P energy: -56.657 tors. eta vs tors. theta energy: -42.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -839.105419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.105419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.105419 (E_RNA) where: Base-Base interactions energy: -506.320 where: short stacking energy: -238.539 Base-Backbone interact. energy: 1.955 local terms energy: -334.740285 where: bonds (distance) C4'-P energy: -78.419 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -85.872 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: -28.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -732.449046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.449046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.449046 (E_RNA) where: Base-Base interactions energy: -389.611 where: short stacking energy: -178.968 Base-Backbone interact. energy: 6.804 local terms energy: -349.642020 where: bonds (distance) C4'-P energy: -96.332 bonds (distance) P-C4' energy: -98.294 flat angles C4'-P-C4' energy: -95.277 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -16.045 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: 342 Temperature: 1.350000 Total energy: -427.797125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.797125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.797125 (E_RNA) where: Base-Base interactions energy: -150.355 where: short stacking energy: -119.907 Base-Backbone interact. energy: 3.668 local terms energy: -281.110436 where: bonds (distance) C4'-P energy: -87.004 bonds (distance) P-C4' energy: -95.881 flat angles C4'-P-C4' energy: -79.371 flat angles P-C4'-P energy: -29.380 tors. eta vs tors. theta energy: 10.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1800.197798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.197798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.197798 (E_RNA) where: Base-Base interactions energy: -1207.874 where: short stacking energy: -536.556 Base-Backbone interact. energy: -1.500 local terms energy: -590.823317 where: bonds (distance) C4'-P energy: -110.161 bonds (distance) P-C4' energy: -111.702 flat angles C4'-P-C4' energy: -124.358 flat angles P-C4'-P energy: -80.677 tors. eta vs tors. theta energy: -163.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1775.017861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.017861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.017861 (E_RNA) where: Base-Base interactions energy: -1183.071 where: short stacking energy: -536.229 Base-Backbone interact. energy: -0.800 local terms energy: -591.146906 where: bonds (distance) C4'-P energy: -105.417 bonds (distance) P-C4' energy: -107.197 flat angles C4'-P-C4' energy: -130.629 flat angles P-C4'-P energy: -82.488 tors. eta vs tors. theta energy: -165.416 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: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1642.568644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.568644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.568644 (E_RNA) where: Base-Base interactions energy: -1128.362 where: short stacking energy: -484.361 Base-Backbone interact. energy: 0.933 local terms energy: -515.139596 where: bonds (distance) C4'-P energy: -91.750 bonds (distance) P-C4' energy: -109.265 flat angles C4'-P-C4' energy: -120.824 flat angles P-C4'-P energy: -74.353 tors. eta vs tors. theta energy: -118.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1426.090998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.090998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.090998 (E_RNA) where: Base-Base interactions energy: -956.010 where: short stacking energy: -415.428 Base-Backbone interact. energy: 6.895 local terms energy: -476.975763 where: bonds (distance) C4'-P energy: -103.256 bonds (distance) P-C4' energy: -99.703 flat angles C4'-P-C4' energy: -108.614 flat angles P-C4'-P energy: -68.532 tors. eta vs tors. theta energy: -96.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1272.374871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.374871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.374871 (E_RNA) where: Base-Base interactions energy: -820.751 where: short stacking energy: -384.446 Base-Backbone interact. energy: -2.294 local terms energy: -449.330734 where: bonds (distance) C4'-P energy: -89.226 bonds (distance) P-C4' energy: -104.781 flat angles C4'-P-C4' energy: -93.176 flat angles P-C4'-P energy: -73.343 tors. eta vs tors. theta energy: -88.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1154.511227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.511227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.511227 (E_RNA) where: Base-Base interactions energy: -702.052 where: short stacking energy: -327.003 Base-Backbone interact. energy: 0.513 local terms energy: -452.972305 where: bonds (distance) C4'-P energy: -103.588 bonds (distance) P-C4' energy: -97.045 flat angles C4'-P-C4' energy: -112.765 flat angles P-C4'-P energy: -59.189 tors. eta vs tors. theta energy: -80.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -893.282757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.282757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.282757 (E_RNA) where: Base-Base interactions energy: -511.777 where: short stacking energy: -285.917 Base-Backbone interact. energy: -2.158 local terms energy: -379.348537 where: bonds (distance) C4'-P energy: -89.106 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -85.723 flat angles P-C4'-P energy: -59.800 tors. eta vs tors. theta energy: -57.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -863.666293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.666293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.666293 (E_RNA) where: Base-Base interactions energy: -509.144 where: short stacking energy: -244.003 Base-Backbone interact. energy: -1.418 local terms energy: -353.103951 where: bonds (distance) C4'-P energy: -104.201 bonds (distance) P-C4' energy: -112.822 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -43.319 tors. eta vs tors. theta energy: -17.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -747.618395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.618395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.618395 (E_RNA) where: Base-Base interactions energy: -428.682 where: short stacking energy: -206.013 Base-Backbone interact. energy: 2.742 local terms energy: -321.678620 where: bonds (distance) C4'-P energy: -76.326 bonds (distance) P-C4' energy: -94.563 flat angles C4'-P-C4' energy: -84.380 flat angles P-C4'-P energy: -37.835 tors. eta vs tors. theta energy: -28.574 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: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -432.603316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.603316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.603316 (E_RNA) where: Base-Base interactions energy: -148.156 where: short stacking energy: -123.024 Base-Backbone interact. energy: 1.689 local terms energy: -286.136178 where: bonds (distance) C4'-P energy: -93.974 bonds (distance) P-C4' energy: -76.552 flat angles C4'-P-C4' energy: -82.887 flat angles P-C4'-P energy: -47.943 tors. eta vs tors. theta energy: 15.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1820.382083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.382083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.382083 (E_RNA) where: Base-Base interactions energy: -1244.279 where: short stacking energy: -539.297 Base-Backbone interact. energy: -5.130 local terms energy: -570.973154 where: bonds (distance) C4'-P energy: -97.755 bonds (distance) P-C4' energy: -106.525 flat angles C4'-P-C4' energy: -120.797 flat angles P-C4'-P energy: -85.109 tors. eta vs tors. theta energy: -160.787 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: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1781.764555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.764555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.764555 (E_RNA) where: Base-Base interactions energy: -1220.506 where: short stacking energy: -566.889 Base-Backbone interact. energy: 4.510 local terms energy: -565.769267 where: bonds (distance) C4'-P energy: -100.282 bonds (distance) P-C4' energy: -101.297 flat angles C4'-P-C4' energy: -117.703 flat angles P-C4'-P energy: -82.548 tors. eta vs tors. theta energy: -163.939 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: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1625.364453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.364453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.364453 (E_RNA) where: Base-Base interactions energy: -1090.723 where: short stacking energy: -475.814 Base-Backbone interact. energy: -1.500 local terms energy: -533.141739 where: bonds (distance) C4'-P energy: -97.156 bonds (distance) P-C4' energy: -114.457 flat angles C4'-P-C4' energy: -122.488 flat angles P-C4'-P energy: -73.441 tors. eta vs tors. theta energy: -125.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1405.169168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.169168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.169168 (E_RNA) where: Base-Base interactions energy: -919.225 where: short stacking energy: -395.613 Base-Backbone interact. energy: -1.910 local terms energy: -484.034783 where: bonds (distance) C4'-P energy: -101.665 bonds (distance) P-C4' energy: -108.629 flat angles C4'-P-C4' energy: -105.493 flat angles P-C4'-P energy: -77.260 tors. eta vs tors. theta energy: -90.987 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: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1245.611337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.611337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.611337 (E_RNA) where: Base-Base interactions energy: -778.951 where: short stacking energy: -361.954 Base-Backbone interact. energy: -1.583 local terms energy: -465.076999 where: bonds (distance) C4'-P energy: -96.544 bonds (distance) P-C4' energy: -110.138 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -87.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1194.173815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.173815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.173815 (E_RNA) where: Base-Base interactions energy: -767.901 where: short stacking energy: -368.967 Base-Backbone interact. energy: -4.379 local terms energy: -421.894113 where: bonds (distance) C4'-P energy: -67.052 bonds (distance) P-C4' energy: -100.772 flat angles C4'-P-C4' energy: -103.110 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -86.813 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: 7, replica: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -892.774563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.774563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.774563 (E_RNA) where: Base-Base interactions energy: -495.867 where: short stacking energy: -250.941 Base-Backbone interact. energy: -0.370 local terms energy: -396.537109 where: bonds (distance) C4'-P energy: -108.537 bonds (distance) P-C4' energy: -100.825 flat angles C4'-P-C4' energy: -98.476 flat angles P-C4'-P energy: -66.568 tors. eta vs tors. theta energy: -22.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -793.237094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.237094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.237094 (E_RNA) where: Base-Base interactions energy: -463.097 where: short stacking energy: -221.307 Base-Backbone interact. energy: 4.366 local terms energy: -334.506794 where: bonds (distance) C4'-P energy: -90.656 bonds (distance) P-C4' energy: -90.262 flat angles C4'-P-C4' energy: -100.918 flat angles P-C4'-P energy: -47.743 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -792.380801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.380801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.380801 (E_RNA) where: Base-Base interactions energy: -458.122 where: short stacking energy: -248.363 Base-Backbone interact. energy: -2.203 local terms energy: -332.055516 where: bonds (distance) C4'-P energy: -84.237 bonds (distance) P-C4' energy: -86.373 flat angles C4'-P-C4' energy: -76.067 flat angles P-C4'-P energy: -48.730 tors. eta vs tors. theta energy: -36.649 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: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -471.774347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.774347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.774347 (E_RNA) where: Base-Base interactions energy: -179.047 where: short stacking energy: -147.772 Base-Backbone interact. energy: 4.431 local terms energy: -297.157639 where: bonds (distance) C4'-P energy: -85.875 bonds (distance) P-C4' energy: -88.234 flat angles C4'-P-C4' energy: -82.174 flat angles P-C4'-P energy: -39.650 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1771.953896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.953896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.953896 (E_RNA) where: Base-Base interactions energy: -1198.790 where: short stacking energy: -530.246 Base-Backbone interact. energy: -1.291 local terms energy: -571.872998 where: bonds (distance) C4'-P energy: -107.888 bonds (distance) P-C4' energy: -107.678 flat angles C4'-P-C4' energy: -133.911 flat angles P-C4'-P energy: -67.664 tors. eta vs tors. theta energy: -154.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1769.311991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.311991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.311991 (E_RNA) where: Base-Base interactions energy: -1193.169 where: short stacking energy: -522.414 Base-Backbone interact. energy: -3.605 local terms energy: -572.537709 where: bonds (distance) C4'-P energy: -103.049 bonds (distance) P-C4' energy: -110.361 flat angles C4'-P-C4' energy: -124.395 flat angles P-C4'-P energy: -82.666 tors. eta vs tors. theta energy: -152.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1611.033679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.033679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.033679 (E_RNA) where: Base-Base interactions energy: -1089.615 where: short stacking energy: -482.015 Base-Backbone interact. energy: -2.036 local terms energy: -519.382852 where: bonds (distance) C4'-P energy: -109.822 bonds (distance) P-C4' energy: -100.560 flat angles C4'-P-C4' energy: -112.316 flat angles P-C4'-P energy: -72.204 tors. eta vs tors. theta energy: -124.480 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: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1411.067197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.067197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.067197 (E_RNA) where: Base-Base interactions energy: -950.265 where: short stacking energy: -376.827 Base-Backbone interact. energy: -1.069 local terms energy: -459.734073 where: bonds (distance) C4'-P energy: -94.695 bonds (distance) P-C4' energy: -104.979 flat angles C4'-P-C4' energy: -100.659 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -88.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1293.149084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.149084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.149084 (E_RNA) where: Base-Base interactions energy: -815.199 where: short stacking energy: -393.422 Base-Backbone interact. energy: 2.291 local terms energy: -480.241196 where: bonds (distance) C4'-P energy: -78.322 bonds (distance) P-C4' energy: -102.084 flat angles C4'-P-C4' energy: -119.214 flat angles P-C4'-P energy: -72.049 tors. eta vs tors. theta energy: -108.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1121.906902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.906902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.906902 (E_RNA) where: Base-Base interactions energy: -687.711 where: short stacking energy: -328.206 Base-Backbone interact. energy: -2.543 local terms energy: -431.652587 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -99.078 flat angles C4'-P-C4' energy: -90.559 flat angles P-C4'-P energy: -67.950 tors. eta vs tors. theta energy: -69.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -906.729667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.729667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.729667 (E_RNA) where: Base-Base interactions energy: -521.542 where: short stacking energy: -259.869 Base-Backbone interact. energy: 3.122 local terms energy: -388.309827 where: bonds (distance) C4'-P energy: -83.292 bonds (distance) P-C4' energy: -105.130 flat angles C4'-P-C4' energy: -91.538 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: -43.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -827.516134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.516134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.516134 (E_RNA) where: Base-Base interactions energy: -455.387 where: short stacking energy: -238.763 Base-Backbone interact. energy: 2.320 local terms energy: -374.448801 where: bonds (distance) C4'-P energy: -80.907 bonds (distance) P-C4' energy: -89.942 flat angles C4'-P-C4' energy: -95.968 flat angles P-C4'-P energy: -68.050 tors. eta vs tors. theta energy: -39.582 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: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -701.864500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.864500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.864500 (E_RNA) where: Base-Base interactions energy: -363.401 where: short stacking energy: -188.503 Base-Backbone interact. energy: 3.668 local terms energy: -342.131622 where: bonds (distance) C4'-P energy: -84.935 bonds (distance) P-C4' energy: -88.840 flat angles C4'-P-C4' energy: -102.690 flat angles P-C4'-P energy: -69.153 tors. eta vs tors. theta energy: 3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -423.609023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.609023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.609023 (E_RNA) where: Base-Base interactions energy: -133.218 where: short stacking energy: -125.473 Base-Backbone interact. energy: -2.436 local terms energy: -287.955031 where: bonds (distance) C4'-P energy: -86.582 bonds (distance) P-C4' energy: -103.344 flat angles C4'-P-C4' energy: -77.161 flat angles P-C4'-P energy: -27.229 tors. eta vs tors. theta energy: 6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1802.105111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.105111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.105111 (E_RNA) where: Base-Base interactions energy: -1230.432 where: short stacking energy: -554.895 Base-Backbone interact. energy: -1.470 local terms energy: -570.202959 where: bonds (distance) C4'-P energy: -93.102 bonds (distance) P-C4' energy: -111.763 flat angles C4'-P-C4' energy: -127.178 flat angles P-C4'-P energy: -87.451 tors. eta vs tors. theta energy: -150.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1779.567480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.567480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.567480 (E_RNA) where: Base-Base interactions energy: -1187.566 where: short stacking energy: -541.052 Base-Backbone interact. energy: -4.294 local terms energy: -587.707708 where: bonds (distance) C4'-P energy: -107.528 bonds (distance) P-C4' energy: -110.056 flat angles C4'-P-C4' energy: -122.134 flat angles P-C4'-P energy: -81.090 tors. eta vs tors. theta energy: -166.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1608.263915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.263915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.263915 (E_RNA) where: Base-Base interactions energy: -1098.260 where: short stacking energy: -479.669 Base-Backbone interact. energy: -4.270 local terms energy: -505.734511 where: bonds (distance) C4'-P energy: -87.248 bonds (distance) P-C4' energy: -110.472 flat angles C4'-P-C4' energy: -116.403 flat angles P-C4'-P energy: -73.380 tors. eta vs tors. theta energy: -118.231 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: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1426.419564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.419564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.419564 (E_RNA) where: Base-Base interactions energy: -956.389 where: short stacking energy: -393.722 Base-Backbone interact. energy: -1.966 local terms energy: -468.064402 where: bonds (distance) C4'-P energy: -106.999 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -109.939 flat angles P-C4'-P energy: -52.162 tors. eta vs tors. theta energy: -106.202 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: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1197.187666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.187666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.187666 (E_RNA) where: Base-Base interactions energy: -756.405 where: short stacking energy: -349.874 Base-Backbone interact. energy: -1.304 local terms energy: -439.478105 where: bonds (distance) C4'-P energy: -95.456 bonds (distance) P-C4' energy: -101.483 flat angles C4'-P-C4' energy: -90.583 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -87.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1143.848984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.848984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.848984 (E_RNA) where: Base-Base interactions energy: -720.485 where: short stacking energy: -340.639 Base-Backbone interact. energy: 2.458 local terms energy: -425.821809 where: bonds (distance) C4'-P energy: -90.991 bonds (distance) P-C4' energy: -95.116 flat angles C4'-P-C4' energy: -104.270 flat angles P-C4'-P energy: -57.144 tors. eta vs tors. theta energy: -78.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -898.627410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.627410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.627410 (E_RNA) where: Base-Base interactions energy: -529.052 where: short stacking energy: -274.932 Base-Backbone interact. energy: 3.788 local terms energy: -373.363550 where: bonds (distance) C4'-P energy: -109.256 bonds (distance) P-C4' energy: -107.007 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -38.409 tors. eta vs tors. theta energy: -38.342 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: 8, replica: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -826.633552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.633552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.633552 (E_RNA) where: Base-Base interactions energy: -466.845 where: short stacking energy: -252.244 Base-Backbone interact. energy: 0.700 local terms energy: -360.488777 where: bonds (distance) C4'-P energy: -94.711 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -92.981 flat angles P-C4'-P energy: -46.486 tors. eta vs tors. theta energy: -29.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -703.906556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.906556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.906556 (E_RNA) where: Base-Base interactions energy: -371.381 where: short stacking energy: -197.033 Base-Backbone interact. energy: 5.126 local terms energy: -337.650846 where: bonds (distance) C4'-P energy: -80.431 bonds (distance) P-C4' energy: -105.066 flat angles C4'-P-C4' energy: -83.661 flat angles P-C4'-P energy: -48.884 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -417.129039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.129039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.129039 (E_RNA) where: Base-Base interactions energy: -141.288 where: short stacking energy: -105.208 Base-Backbone interact. energy: 3.690 local terms energy: -279.531001 where: bonds (distance) C4'-P energy: -84.255 bonds (distance) P-C4' energy: -88.182 flat angles C4'-P-C4' energy: -67.900 flat angles P-C4'-P energy: -48.593 tors. eta vs tors. theta energy: 9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1809.799796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.799796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.799796 (E_RNA) where: Base-Base interactions energy: -1213.526 where: short stacking energy: -558.900 Base-Backbone interact. energy: -0.464 local terms energy: -595.809227 where: bonds (distance) C4'-P energy: -117.838 bonds (distance) P-C4' energy: -115.700 flat angles C4'-P-C4' energy: -133.763 flat angles P-C4'-P energy: -77.274 tors. eta vs tors. theta energy: -151.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1757.405905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.405905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.405905 (E_RNA) where: Base-Base interactions energy: -1178.282 where: short stacking energy: -545.850 Base-Backbone interact. energy: -1.967 local terms energy: -577.156233 where: bonds (distance) C4'-P energy: -105.511 bonds (distance) P-C4' energy: -108.100 flat angles C4'-P-C4' energy: -119.237 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: -152.583 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1599.150235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.150235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.150235 (E_RNA) where: Base-Base interactions energy: -1100.842 where: short stacking energy: -459.652 Base-Backbone interact. energy: -2.647 local terms energy: -495.661204 where: bonds (distance) C4'-P energy: -98.091 bonds (distance) P-C4' energy: -106.966 flat angles C4'-P-C4' energy: -112.040 flat angles P-C4'-P energy: -68.058 tors. eta vs tors. theta energy: -110.506 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: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1427.799358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.799358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.799358 (E_RNA) where: Base-Base interactions energy: -944.140 where: short stacking energy: -410.550 Base-Backbone interact. energy: -5.398 local terms energy: -478.261391 where: bonds (distance) C4'-P energy: -93.141 bonds (distance) P-C4' energy: -97.261 flat angles C4'-P-C4' energy: -116.518 flat angles P-C4'-P energy: -65.554 tors. eta vs tors. theta energy: -105.788 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: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1226.530772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.530772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.530772 (E_RNA) where: Base-Base interactions energy: -759.091 where: short stacking energy: -350.222 Base-Backbone interact. energy: -2.861 local terms energy: -464.579531 where: bonds (distance) C4'-P energy: -96.464 bonds (distance) P-C4' energy: -93.430 flat angles C4'-P-C4' energy: -107.501 flat angles P-C4'-P energy: -83.134 tors. eta vs tors. theta energy: -84.052 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: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1089.780488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.780488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.780488 (E_RNA) where: Base-Base interactions energy: -698.549 where: short stacking energy: -337.275 Base-Backbone interact. energy: 0.185 local terms energy: -391.416327 where: bonds (distance) C4'-P energy: -60.469 bonds (distance) P-C4' energy: -96.701 flat angles C4'-P-C4' energy: -95.871 flat angles P-C4'-P energy: -73.298 tors. eta vs tors. theta energy: -65.077 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: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -942.303015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.303015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.303015 (E_RNA) where: Base-Base interactions energy: -551.430 where: short stacking energy: -316.450 Base-Backbone interact. energy: -2.302 local terms energy: -388.571166 where: bonds (distance) C4'-P energy: -91.383 bonds (distance) P-C4' energy: -91.933 flat angles C4'-P-C4' energy: -87.477 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: -67.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -771.187342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.187342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.187342 (E_RNA) where: Base-Base interactions energy: -456.839 where: short stacking energy: -239.191 Base-Backbone interact. energy: -0.697 local terms energy: -313.651280 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -99.284 flat angles C4'-P-C4' energy: -83.193 flat angles P-C4'-P energy: -44.767 tors. eta vs tors. theta energy: -12.661 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: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -775.433514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.433514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.433514 (E_RNA) where: Base-Base interactions energy: -431.493 where: short stacking energy: -217.013 Base-Backbone interact. energy: -2.413 local terms energy: -341.527597 where: bonds (distance) C4'-P energy: -93.078 bonds (distance) P-C4' energy: -103.439 flat angles C4'-P-C4' energy: -75.310 flat angles P-C4'-P energy: -38.501 tors. eta vs tors. theta energy: -31.200 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: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -466.790455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.790455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.790455 (E_RNA) where: Base-Base interactions energy: -177.519 where: short stacking energy: -157.375 Base-Backbone interact. energy: -1.848 local terms energy: -287.423543 where: bonds (distance) C4'-P energy: -86.380 bonds (distance) P-C4' energy: -88.768 flat angles C4'-P-C4' energy: -70.494 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1805.276246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.276246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.276246 (E_RNA) where: Base-Base interactions energy: -1205.193 where: short stacking energy: -570.925 Base-Backbone interact. energy: -2.177 local terms energy: -597.905894 where: bonds (distance) C4'-P energy: -107.149 bonds (distance) P-C4' energy: -112.835 flat angles C4'-P-C4' energy: -121.719 flat angles P-C4'-P energy: -92.025 tors. eta vs tors. theta energy: -164.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1769.217092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.217092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.217092 (E_RNA) where: Base-Base interactions energy: -1211.266 where: short stacking energy: -537.865 Base-Backbone interact. energy: -0.073 local terms energy: -557.877619 where: bonds (distance) C4'-P energy: -106.721 bonds (distance) P-C4' energy: -111.509 flat angles C4'-P-C4' energy: -123.973 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -150.854 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: 348 Temperature: 1.000000 Total energy: -1559.340983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.340983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.340983 (E_RNA) where: Base-Base interactions energy: -1075.619 where: short stacking energy: -478.956 Base-Backbone interact. energy: 1.186 local terms energy: -484.907874 where: bonds (distance) C4'-P energy: -93.268 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -113.151 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: -115.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1413.247763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.247763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.247763 (E_RNA) where: Base-Base interactions energy: -916.566 where: short stacking energy: -405.411 Base-Backbone interact. energy: -1.115 local terms energy: -495.567477 where: bonds (distance) C4'-P energy: -95.704 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -117.479 flat angles P-C4'-P energy: -65.995 tors. eta vs tors. theta energy: -98.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1157.653872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.653872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.653872 (E_RNA) where: Base-Base interactions energy: -712.765 where: short stacking energy: -356.158 Base-Backbone interact. energy: -0.717 local terms energy: -444.171987 where: bonds (distance) C4'-P energy: -96.913 bonds (distance) P-C4' energy: -99.173 flat angles C4'-P-C4' energy: -103.830 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -79.258 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: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1134.029698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.029698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.029698 (E_RNA) where: Base-Base interactions energy: -711.390 where: short stacking energy: -323.753 Base-Backbone interact. energy: -1.159 local terms energy: -421.480100 where: bonds (distance) C4'-P energy: -92.368 bonds (distance) P-C4' energy: -98.802 flat angles C4'-P-C4' energy: -88.365 flat angles P-C4'-P energy: -67.425 tors. eta vs tors. theta energy: -74.520 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: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -903.082067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.082067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.082067 (E_RNA) where: Base-Base interactions energy: -527.222 where: short stacking energy: -282.782 Base-Backbone interact. energy: -3.206 local terms energy: -372.654578 where: bonds (distance) C4'-P energy: -95.199 bonds (distance) P-C4' energy: -85.046 flat angles C4'-P-C4' energy: -100.709 flat angles P-C4'-P energy: -47.690 tors. eta vs tors. theta energy: -44.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -760.018021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.018021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.018021 (E_RNA) where: Base-Base interactions energy: -426.351 where: short stacking energy: -213.253 Base-Backbone interact. energy: -0.814 local terms energy: -332.853727 where: bonds (distance) C4'-P energy: -78.966 bonds (distance) P-C4' energy: -99.453 flat angles C4'-P-C4' energy: -93.860 flat angles P-C4'-P energy: -55.384 tors. eta vs tors. theta energy: -5.190 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: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -812.804781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.804781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.804781 (E_RNA) where: Base-Base interactions energy: -448.461 where: short stacking energy: -215.827 Base-Backbone interact. energy: -1.208 local terms energy: -363.135424 where: bonds (distance) C4'-P energy: -86.317 bonds (distance) P-C4' energy: -96.938 flat angles C4'-P-C4' energy: -97.179 flat angles P-C4'-P energy: -54.605 tors. eta vs tors. theta energy: -28.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -466.187876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.187876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.187876 (E_RNA) where: Base-Base interactions energy: -193.107 where: short stacking energy: -128.998 Base-Backbone interact. energy: 1.168 local terms energy: -274.248629 where: bonds (distance) C4'-P energy: -71.274 bonds (distance) P-C4' energy: -86.423 flat angles C4'-P-C4' energy: -77.267 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: 6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1807.761122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.761122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.761122 (E_RNA) where: Base-Base interactions energy: -1198.936 where: short stacking energy: -560.854 Base-Backbone interact. energy: -1.686 local terms energy: -607.138887 where: bonds (distance) C4'-P energy: -114.226 bonds (distance) P-C4' energy: -119.184 flat angles C4'-P-C4' energy: -126.794 flat angles P-C4'-P energy: -78.972 tors. eta vs tors. theta energy: -167.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1756.279674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.279674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.279674 (E_RNA) where: Base-Base interactions energy: -1188.632 where: short stacking energy: -531.069 Base-Backbone interact. energy: -2.638 local terms energy: -565.009302 where: bonds (distance) C4'-P energy: -106.816 bonds (distance) P-C4' energy: -121.158 flat angles C4'-P-C4' energy: -109.831 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -152.014 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: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1563.531453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.531453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.531453 (E_RNA) where: Base-Base interactions energy: -1066.663 where: short stacking energy: -469.060 Base-Backbone interact. energy: -2.838 local terms energy: -494.030459 where: bonds (distance) C4'-P energy: -85.873 bonds (distance) P-C4' energy: -105.668 flat angles C4'-P-C4' energy: -119.808 flat angles P-C4'-P energy: -67.561 tors. eta vs tors. theta energy: -115.121 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: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1411.879384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.879384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.879384 (E_RNA) where: Base-Base interactions energy: -937.591 where: short stacking energy: -394.048 Base-Backbone interact. energy: -0.581 local terms energy: -473.706975 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -113.806 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -64.329 tors. eta vs tors. theta energy: -85.547 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: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1165.043814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.043814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.043814 (E_RNA) where: Base-Base interactions energy: -693.396 where: short stacking energy: -346.908 Base-Backbone interact. energy: 1.093 local terms energy: -472.740531 where: bonds (distance) C4'-P energy: -108.923 bonds (distance) P-C4' energy: -103.690 flat angles C4'-P-C4' energy: -116.895 flat angles P-C4'-P energy: -63.075 tors. eta vs tors. theta energy: -80.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1186.378753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.378753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.378753 (E_RNA) where: Base-Base interactions energy: -740.543 where: short stacking energy: -356.498 Base-Backbone interact. energy: 2.195 local terms energy: -448.029879 where: bonds (distance) C4'-P energy: -98.913 bonds (distance) P-C4' energy: -95.916 flat angles C4'-P-C4' energy: -105.777 flat angles P-C4'-P energy: -58.862 tors. eta vs tors. theta energy: -88.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -959.507911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.507911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.507911 (E_RNA) where: Base-Base interactions energy: -536.191 where: short stacking energy: -276.475 Base-Backbone interact. energy: -1.064 local terms energy: -422.253046 where: bonds (distance) C4'-P energy: -102.665 bonds (distance) P-C4' energy: -98.935 flat angles C4'-P-C4' energy: -102.647 flat angles P-C4'-P energy: -65.192 tors. eta vs tors. theta energy: -52.814 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: 349 Temperature: 1.250000 Total energy: -820.737726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.737726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.737726 (E_RNA) where: Base-Base interactions energy: -450.144 where: short stacking energy: -275.017 Base-Backbone interact. energy: 0.526 local terms energy: -371.119778 where: bonds (distance) C4'-P energy: -92.508 bonds (distance) P-C4' energy: -81.794 flat angles C4'-P-C4' energy: -103.748 flat angles P-C4'-P energy: -45.643 tors. eta vs tors. theta energy: -47.426 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: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -706.514077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.514077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.514077 (E_RNA) where: Base-Base interactions energy: -370.767 where: short stacking energy: -198.199 Base-Backbone interact. energy: -2.573 local terms energy: -333.173755 where: bonds (distance) C4'-P energy: -98.418 bonds (distance) P-C4' energy: -89.983 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -54.866 tors. eta vs tors. theta energy: -6.750 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: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -429.013340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.013340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.013340 (E_RNA) where: Base-Base interactions energy: -179.366 where: short stacking energy: -144.922 Base-Backbone interact. energy: 1.728 local terms energy: -251.375637 where: bonds (distance) C4'-P energy: -64.213 bonds (distance) P-C4' energy: -95.037 flat angles C4'-P-C4' energy: -64.479 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: 16.211 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: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1793.538831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.538831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.538831 (E_RNA) where: Base-Base interactions energy: -1201.997 where: short stacking energy: -512.867 Base-Backbone interact. energy: -3.740 local terms energy: -587.801493 where: bonds (distance) C4'-P energy: -117.131 bonds (distance) P-C4' energy: -106.654 flat angles C4'-P-C4' energy: -128.058 flat angles P-C4'-P energy: -84.121 tors. eta vs tors. theta energy: -151.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1751.241082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.241082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.241082 (E_RNA) where: Base-Base interactions energy: -1183.264 where: short stacking energy: -541.900 Base-Backbone interact. energy: -3.156 local terms energy: -564.820857 where: bonds (distance) C4'-P energy: -103.123 bonds (distance) P-C4' energy: -100.082 flat angles C4'-P-C4' energy: -129.633 flat angles P-C4'-P energy: -77.767 tors. eta vs tors. theta energy: -154.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1524.912176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.912176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.912176 (E_RNA) where: Base-Base interactions energy: -1016.652 where: short stacking energy: -490.289 Base-Backbone interact. energy: 1.074 local terms energy: -509.333514 where: bonds (distance) C4'-P energy: -102.214 bonds (distance) P-C4' energy: -98.642 flat angles C4'-P-C4' energy: -113.184 flat angles P-C4'-P energy: -66.583 tors. eta vs tors. theta energy: -128.711 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: 350 Temperature: 1.050000 Total energy: -1412.438357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.438357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.438357 (E_RNA) where: Base-Base interactions energy: -954.510 where: short stacking energy: -412.356 Base-Backbone interact. energy: -1.447 local terms energy: -456.481866 where: bonds (distance) C4'-P energy: -94.647 bonds (distance) P-C4' energy: -97.391 flat angles C4'-P-C4' energy: -102.260 flat angles P-C4'-P energy: -63.521 tors. eta vs tors. theta energy: -98.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1301.565704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.565704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.565704 (E_RNA) where: Base-Base interactions energy: -832.770 where: short stacking energy: -394.268 Base-Backbone interact. energy: -3.295 local terms energy: -465.500698 where: bonds (distance) C4'-P energy: -110.072 bonds (distance) P-C4' energy: -94.236 flat angles C4'-P-C4' energy: -103.842 flat angles P-C4'-P energy: -60.738 tors. eta vs tors. theta energy: -96.613 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: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1112.109653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.109653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.109653 (E_RNA) where: Base-Base interactions energy: -694.120 where: short stacking energy: -318.167 Base-Backbone interact. energy: 0.775 local terms energy: -418.764817 where: bonds (distance) C4'-P energy: -92.513 bonds (distance) P-C4' energy: -99.471 flat angles C4'-P-C4' energy: -102.404 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: -66.473 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: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -934.424268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.424268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.424268 (E_RNA) where: Base-Base interactions energy: -550.334 where: short stacking energy: -277.431 Base-Backbone interact. energy: 0.077 local terms energy: -384.167124 where: bonds (distance) C4'-P energy: -86.763 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -81.515 flat angles P-C4'-P energy: -61.765 tors. eta vs tors. theta energy: -44.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -789.504843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.504843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.504843 (E_RNA) where: Base-Base interactions energy: -440.747 where: short stacking energy: -232.598 Base-Backbone interact. energy: -0.343 local terms energy: -348.414734 where: bonds (distance) C4'-P energy: -93.604 bonds (distance) P-C4' energy: -79.011 flat angles C4'-P-C4' energy: -86.316 flat angles P-C4'-P energy: -58.993 tors. eta vs tors. theta energy: -30.492 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: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -724.977071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.977071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.977071 (E_RNA) where: Base-Base interactions energy: -390.951 where: short stacking energy: -223.353 Base-Backbone interact. energy: -2.892 local terms energy: -331.133549 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -91.101 flat angles C4'-P-C4' energy: -88.330 flat angles P-C4'-P energy: -51.907 tors. eta vs tors. theta energy: -29.936 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: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -557.759149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.759149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.759149 (E_RNA) where: Base-Base interactions energy: -235.881 where: short stacking energy: -135.016 Base-Backbone interact. energy: 3.733 local terms energy: -325.611111 where: bonds (distance) C4'-P energy: -93.484 bonds (distance) P-C4' energy: -102.983 flat angles C4'-P-C4' energy: -80.897 flat angles P-C4'-P energy: -56.687 tors. eta vs tors. theta energy: 8.440 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: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1790.399640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.399640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.399640 (E_RNA) where: Base-Base interactions energy: -1216.582 where: short stacking energy: -543.729 Base-Backbone interact. energy: -5.234 local terms energy: -568.584207 where: bonds (distance) C4'-P energy: -100.760 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -123.350 flat angles P-C4'-P energy: -76.047 tors. eta vs tors. theta energy: -147.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1777.695473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.695473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.695473 (E_RNA) where: Base-Base interactions energy: -1195.417 where: short stacking energy: -541.360 Base-Backbone interact. energy: -3.540 local terms energy: -578.738289 where: bonds (distance) C4'-P energy: -106.010 bonds (distance) P-C4' energy: -111.724 flat angles C4'-P-C4' energy: -125.285 flat angles P-C4'-P energy: -79.165 tors. eta vs tors. theta energy: -156.554 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: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1510.799550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.799550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.799550 (E_RNA) where: Base-Base interactions energy: -1000.529 where: short stacking energy: -466.153 Base-Backbone interact. energy: -2.954 local terms energy: -507.316113 where: bonds (distance) C4'-P energy: -111.253 bonds (distance) P-C4' energy: -99.568 flat angles C4'-P-C4' energy: -113.304 flat angles P-C4'-P energy: -73.969 tors. eta vs tors. theta energy: -109.222 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: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1412.246220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.246220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.246220 (E_RNA) where: Base-Base interactions energy: -946.500 where: short stacking energy: -413.417 Base-Backbone interact. energy: -0.563 local terms energy: -465.183382 where: bonds (distance) C4'-P energy: -100.736 bonds (distance) P-C4' energy: -105.830 flat angles C4'-P-C4' energy: -99.290 flat angles P-C4'-P energy: -69.783 tors. eta vs tors. theta energy: -89.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1249.682348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.682348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.682348 (E_RNA) where: Base-Base interactions energy: -822.659 where: short stacking energy: -378.601 Base-Backbone interact. energy: -1.695 local terms energy: -425.328525 where: bonds (distance) C4'-P energy: -105.269 bonds (distance) P-C4' energy: -91.085 flat angles C4'-P-C4' energy: -89.395 flat angles P-C4'-P energy: -63.614 tors. eta vs tors. theta energy: -75.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1117.042784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.042784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.042784 (E_RNA) where: Base-Base interactions energy: -706.702 where: short stacking energy: -352.656 Base-Backbone interact. energy: -2.402 local terms energy: -407.939004 where: bonds (distance) C4'-P energy: -96.073 bonds (distance) P-C4' energy: -78.927 flat angles C4'-P-C4' energy: -101.661 flat angles P-C4'-P energy: -58.273 tors. eta vs tors. theta energy: -73.005 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: 351 Temperature: 1.200000 Total energy: -943.894700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.894700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.894700 (E_RNA) where: Base-Base interactions energy: -552.753 where: short stacking energy: -260.876 Base-Backbone interact. energy: -2.968 local terms energy: -388.173616 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -96.114 flat angles C4'-P-C4' energy: -96.391 flat angles P-C4'-P energy: -52.618 tors. eta vs tors. theta energy: -49.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -775.687761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.687761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.687761 (E_RNA) where: Base-Base interactions energy: -422.884 where: short stacking energy: -211.375 Base-Backbone interact. energy: -0.873 local terms energy: -351.931041 where: bonds (distance) C4'-P energy: -95.980 bonds (distance) P-C4' energy: -97.120 flat angles C4'-P-C4' energy: -87.921 flat angles P-C4'-P energy: -47.324 tors. eta vs tors. theta energy: -23.587 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: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -712.839290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.839290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.839290 (E_RNA) where: Base-Base interactions energy: -394.881 where: short stacking energy: -197.208 Base-Backbone interact. energy: 1.815 local terms energy: -319.773176 where: bonds (distance) C4'-P energy: -92.080 bonds (distance) P-C4' energy: -99.256 flat angles C4'-P-C4' energy: -82.571 flat angles P-C4'-P energy: -32.737 tors. eta vs tors. theta energy: -13.129 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: 351 Temperature: 1.350000 Total energy: -582.870697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.870697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.870697 (E_RNA) where: Base-Base interactions energy: -262.617 where: short stacking energy: -164.450 Base-Backbone interact. energy: 1.161 local terms energy: -321.415051 where: bonds (distance) C4'-P energy: -95.845 bonds (distance) P-C4' energy: -102.815 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1804.069048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.069048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.069048 (E_RNA) where: Base-Base interactions energy: -1198.554 where: short stacking energy: -552.594 Base-Backbone interact. energy: -1.160 local terms energy: -604.354439 where: bonds (distance) C4'-P energy: -104.457 bonds (distance) P-C4' energy: -125.595 flat angles C4'-P-C4' energy: -126.953 flat angles P-C4'-P energy: -89.312 tors. eta vs tors. theta energy: -158.038 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: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1759.658512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.658512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.658512 (E_RNA) where: Base-Base interactions energy: -1203.359 where: short stacking energy: -525.400 Base-Backbone interact. energy: 1.026 local terms energy: -557.324698 where: bonds (distance) C4'-P energy: -112.573 bonds (distance) P-C4' energy: -101.821 flat angles C4'-P-C4' energy: -120.984 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -149.268 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: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1546.275235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.275235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.275235 (E_RNA) where: Base-Base interactions energy: -1040.552 where: short stacking energy: -468.691 Base-Backbone interact. energy: -1.439 local terms energy: -504.284368 where: bonds (distance) C4'-P energy: -103.700 bonds (distance) P-C4' energy: -98.877 flat angles C4'-P-C4' energy: -113.941 flat angles P-C4'-P energy: -75.806 tors. eta vs tors. theta energy: -111.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1411.898874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.898874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.898874 (E_RNA) where: Base-Base interactions energy: -905.544 where: short stacking energy: -422.786 Base-Backbone interact. energy: -0.346 local terms energy: -506.008030 where: bonds (distance) C4'-P energy: -103.641 bonds (distance) P-C4' energy: -107.408 flat angles C4'-P-C4' energy: -107.755 flat angles P-C4'-P energy: -68.351 tors. eta vs tors. theta energy: -118.853 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: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1244.068777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.068777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.068777 (E_RNA) where: Base-Base interactions energy: -773.973 where: short stacking energy: -389.838 Base-Backbone interact. energy: 2.104 local terms energy: -472.199665 where: bonds (distance) C4'-P energy: -93.144 bonds (distance) P-C4' energy: -102.417 flat angles C4'-P-C4' energy: -112.623 flat angles P-C4'-P energy: -72.912 tors. eta vs tors. theta energy: -91.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1118.006392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.006392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.006392 (E_RNA) where: Base-Base interactions energy: -696.218 where: short stacking energy: -348.992 Base-Backbone interact. energy: 1.316 local terms energy: -423.104073 where: bonds (distance) C4'-P energy: -93.866 bonds (distance) P-C4' energy: -83.862 flat angles C4'-P-C4' energy: -99.899 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: -73.264 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: 352 Temperature: 1.200000 Total energy: -938.363262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.363262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.363262 (E_RNA) where: Base-Base interactions energy: -570.898 where: short stacking energy: -280.868 Base-Backbone interact. energy: -1.819 local terms energy: -365.645934 where: bonds (distance) C4'-P energy: -92.289 bonds (distance) P-C4' energy: -92.284 flat angles C4'-P-C4' energy: -85.473 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -45.010 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: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -822.404346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.404346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.404346 (E_RNA) where: Base-Base interactions energy: -471.876 where: short stacking energy: -254.182 Base-Backbone interact. energy: -2.871 local terms energy: -347.656566 where: bonds (distance) C4'-P energy: -87.562 bonds (distance) P-C4' energy: -78.650 flat angles C4'-P-C4' energy: -87.347 flat angles P-C4'-P energy: -58.211 tors. eta vs tors. theta energy: -35.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -598.246288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.246288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.246288 (E_RNA) where: Base-Base interactions energy: -289.588 where: short stacking energy: -193.936 Base-Backbone interact. energy: 4.691 local terms energy: -313.349028 where: bonds (distance) C4'-P energy: -80.947 bonds (distance) P-C4' energy: -82.425 flat angles C4'-P-C4' energy: -71.725 flat angles P-C4'-P energy: -68.240 tors. eta vs tors. theta energy: -10.011 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: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -650.105734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.105734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.105734 (E_RNA) where: Base-Base interactions energy: -354.809 where: short stacking energy: -185.700 Base-Backbone interact. energy: -0.164 local terms energy: -295.133316 where: bonds (distance) C4'-P energy: -76.038 bonds (distance) P-C4' energy: -78.190 flat angles C4'-P-C4' energy: -89.503 flat angles P-C4'-P energy: -38.387 tors. eta vs tors. theta energy: -13.016 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: 1, replica: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1773.169488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.169488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.169488 (E_RNA) where: Base-Base interactions energy: -1192.703 where: short stacking energy: -557.264 Base-Backbone interact. energy: -1.478 local terms energy: -578.989222 where: bonds (distance) C4'-P energy: -102.264 bonds (distance) P-C4' energy: -110.677 flat angles C4'-P-C4' energy: -123.603 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -169.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1766.496605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.496605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.496605 (E_RNA) where: Base-Base interactions energy: -1200.087 where: short stacking energy: -530.693 Base-Backbone interact. energy: -1.262 local terms energy: -565.147871 where: bonds (distance) C4'-P energy: -99.135 bonds (distance) P-C4' energy: -111.139 flat angles C4'-P-C4' energy: -121.180 flat angles P-C4'-P energy: -79.353 tors. eta vs tors. theta energy: -154.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1544.560417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.560417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.560417 (E_RNA) where: Base-Base interactions energy: -1032.369 where: short stacking energy: -480.058 Base-Backbone interact. energy: -2.555 local terms energy: -509.636032 where: bonds (distance) C4'-P energy: -99.162 bonds (distance) P-C4' energy: -106.190 flat angles C4'-P-C4' energy: -117.600 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -123.620 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: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1414.651487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.651487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.651487 (E_RNA) where: Base-Base interactions energy: -921.234 where: short stacking energy: -417.673 Base-Backbone interact. energy: -2.527 local terms energy: -490.890549 where: bonds (distance) C4'-P energy: -85.303 bonds (distance) P-C4' energy: -107.232 flat angles C4'-P-C4' energy: -121.890 flat angles P-C4'-P energy: -62.629 tors. eta vs tors. theta energy: -113.836 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: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1237.824979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.824979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.824979 (E_RNA) where: Base-Base interactions energy: -783.619 where: short stacking energy: -388.359 Base-Backbone interact. energy: -0.408 local terms energy: -453.797407 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -107.935 flat angles C4'-P-C4' energy: -96.938 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -92.818 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: 353 Temperature: 1.150000 Total energy: -1113.117690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.117690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.117690 (E_RNA) where: Base-Base interactions energy: -696.049 where: short stacking energy: -305.460 Base-Backbone interact. energy: -1.315 local terms energy: -415.754170 where: bonds (distance) C4'-P energy: -93.231 bonds (distance) P-C4' energy: -97.227 flat angles C4'-P-C4' energy: -114.871 flat angles P-C4'-P energy: -53.783 tors. eta vs tors. theta energy: -56.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -992.007243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.007243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.007243 (E_RNA) where: Base-Base interactions energy: -617.529 where: short stacking energy: -292.811 Base-Backbone interact. energy: 2.017 local terms energy: -376.494839 where: bonds (distance) C4'-P energy: -88.700 bonds (distance) P-C4' energy: -87.816 flat angles C4'-P-C4' energy: -88.174 flat angles P-C4'-P energy: -48.417 tors. eta vs tors. theta energy: -63.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -793.526520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.526520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.526520 (E_RNA) where: Base-Base interactions energy: -437.877 where: short stacking energy: -234.657 Base-Backbone interact. energy: -2.653 local terms energy: -352.996316 where: bonds (distance) C4'-P energy: -87.452 bonds (distance) P-C4' energy: -104.228 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -56.207 tors. eta vs tors. theta energy: -19.439 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: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -621.228781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.228781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.228781 (E_RNA) where: Base-Base interactions energy: -302.810 where: short stacking energy: -177.905 Base-Backbone interact. energy: 2.951 local terms energy: -321.369591 where: bonds (distance) C4'-P energy: -85.476 bonds (distance) P-C4' energy: -92.927 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -619.715522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.715522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.715522 (E_RNA) where: Base-Base interactions energy: -324.340 where: short stacking energy: -154.488 Base-Backbone interact. energy: -1.509 local terms energy: -293.867186 where: bonds (distance) C4'-P energy: -91.991 bonds (distance) P-C4' energy: -98.529 flat angles C4'-P-C4' energy: -69.094 flat angles P-C4'-P energy: -57.910 tors. eta vs tors. theta energy: 23.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1803.382478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.382478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.382478 (E_RNA) where: Base-Base interactions energy: -1209.431 where: short stacking energy: -567.434 Base-Backbone interact. energy: -4.137 local terms energy: -589.814835 where: bonds (distance) C4'-P energy: -109.099 bonds (distance) P-C4' energy: -105.608 flat angles C4'-P-C4' energy: -116.490 flat angles P-C4'-P energy: -89.626 tors. eta vs tors. theta energy: -168.992 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: 354 Temperature: 0.950000 Total energy: -1733.853524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.853524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.853524 (E_RNA) where: Base-Base interactions energy: -1169.243 where: short stacking energy: -526.587 Base-Backbone interact. energy: -1.487 local terms energy: -563.123124 where: bonds (distance) C4'-P energy: -98.487 bonds (distance) P-C4' energy: -112.685 flat angles C4'-P-C4' energy: -112.404 flat angles P-C4'-P energy: -86.634 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: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1600.725116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.725116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.725116 (E_RNA) where: Base-Base interactions energy: -1075.897 where: short stacking energy: -489.418 Base-Backbone interact. energy: -1.453 local terms energy: -523.374223 where: bonds (distance) C4'-P energy: -99.378 bonds (distance) P-C4' energy: -99.992 flat angles C4'-P-C4' energy: -128.258 flat angles P-C4'-P energy: -74.360 tors. eta vs tors. theta energy: -121.386 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: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1421.100462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.100462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.100462 (E_RNA) where: Base-Base interactions energy: -942.929 where: short stacking energy: -411.462 Base-Backbone interact. energy: -0.911 local terms energy: -477.260621 where: bonds (distance) C4'-P energy: -91.963 bonds (distance) P-C4' energy: -103.629 flat angles C4'-P-C4' energy: -102.246 flat angles P-C4'-P energy: -67.143 tors. eta vs tors. theta energy: -112.280 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: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1257.985383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.985383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.985383 (E_RNA) where: Base-Base interactions energy: -778.081 where: short stacking energy: -386.331 Base-Backbone interact. energy: -1.764 local terms energy: -478.140938 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -102.787 flat angles C4'-P-C4' energy: -104.816 flat angles P-C4'-P energy: -64.208 tors. eta vs tors. theta energy: -95.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1168.663603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.663603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.663603 (E_RNA) where: Base-Base interactions energy: -742.937 where: short stacking energy: -352.417 Base-Backbone interact. energy: 0.256 local terms energy: -425.982714 where: bonds (distance) C4'-P energy: -91.041 bonds (distance) P-C4' energy: -104.956 flat angles C4'-P-C4' energy: -96.617 flat angles P-C4'-P energy: -69.843 tors. eta vs tors. theta energy: -63.527 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: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1032.379394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.379394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.379394 (E_RNA) where: Base-Base interactions energy: -611.385 where: short stacking energy: -298.381 Base-Backbone interact. energy: 2.368 local terms energy: -423.362589 where: bonds (distance) C4'-P energy: -91.088 bonds (distance) P-C4' energy: -98.504 flat angles C4'-P-C4' energy: -115.313 flat angles P-C4'-P energy: -67.525 tors. eta vs tors. theta energy: -50.931 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: 354 Temperature: 1.250000 Total energy: -793.380404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.380404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.380404 (E_RNA) where: Base-Base interactions energy: -447.328 where: short stacking energy: -233.130 Base-Backbone interact. energy: 0.081 local terms energy: -346.133224 where: bonds (distance) C4'-P energy: -88.770 bonds (distance) P-C4' energy: -91.370 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -55.567 tors. eta vs tors. theta energy: -22.450 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: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -637.102998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.102998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.102998 (E_RNA) where: Base-Base interactions energy: -312.855 where: short stacking energy: -181.264 Base-Backbone interact. energy: 1.316 local terms energy: -325.564627 where: bonds (distance) C4'-P energy: -110.341 bonds (distance) P-C4' energy: -95.020 flat angles C4'-P-C4' energy: -83.080 flat angles P-C4'-P energy: -35.624 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -608.585600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.585600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.585600 (E_RNA) where: Base-Base interactions energy: -314.527 where: short stacking energy: -182.345 Base-Backbone interact. energy: 2.677 local terms energy: -296.735118 where: bonds (distance) C4'-P energy: -77.844 bonds (distance) P-C4' energy: -82.184 flat angles C4'-P-C4' energy: -85.341 flat angles P-C4'-P energy: -58.853 tors. eta vs tors. theta energy: 7.487 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: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1801.401129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.401129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.401129 (E_RNA) where: Base-Base interactions energy: -1202.239 where: short stacking energy: -551.891 Base-Backbone interact. energy: -1.118 local terms energy: -598.043659 where: bonds (distance) C4'-P energy: -107.834 bonds (distance) P-C4' energy: -112.609 flat angles C4'-P-C4' energy: -128.408 flat angles P-C4'-P energy: -75.872 tors. eta vs tors. theta energy: -173.321 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: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1737.379995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.379995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.379995 (E_RNA) where: Base-Base interactions energy: -1168.899 where: short stacking energy: -507.566 Base-Backbone interact. energy: -4.224 local terms energy: -564.257766 where: bonds (distance) C4'-P energy: -101.513 bonds (distance) P-C4' energy: -107.309 flat angles C4'-P-C4' energy: -117.823 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -147.496 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: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1571.392632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.392632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.392632 (E_RNA) where: Base-Base interactions energy: -1054.522 where: short stacking energy: -463.829 Base-Backbone interact. energy: -1.508 local terms energy: -515.363187 where: bonds (distance) C4'-P energy: -103.052 bonds (distance) P-C4' energy: -103.174 flat angles C4'-P-C4' energy: -121.871 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: -124.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1457.315997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.315997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.315997 (E_RNA) where: Base-Base interactions energy: -935.605 where: short stacking energy: -411.899 Base-Backbone interact. energy: -2.816 local terms energy: -518.895105 where: bonds (distance) C4'-P energy: -90.894 bonds (distance) P-C4' energy: -103.857 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -83.587 tors. eta vs tors. theta energy: -118.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1273.611498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.611498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.611498 (E_RNA) where: Base-Base interactions energy: -798.301 where: short stacking energy: -368.884 Base-Backbone interact. energy: -2.349 local terms energy: -472.961142 where: bonds (distance) C4'-P energy: -114.206 bonds (distance) P-C4' energy: -108.378 flat angles C4'-P-C4' energy: -99.709 flat angles P-C4'-P energy: -59.946 tors. eta vs tors. theta energy: -90.722 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: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1101.097873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.097873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.097873 (E_RNA) where: Base-Base interactions energy: -670.201 where: short stacking energy: -296.579 Base-Backbone interact. energy: 0.471 local terms energy: -431.367202 where: bonds (distance) C4'-P energy: -98.708 bonds (distance) P-C4' energy: -104.572 flat angles C4'-P-C4' energy: -100.509 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -61.778 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: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -980.330114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.330114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.330114 (E_RNA) where: Base-Base interactions energy: -584.191 where: short stacking energy: -276.846 Base-Backbone interact. energy: -1.353 local terms energy: -394.786569 where: bonds (distance) C4'-P energy: -100.165 bonds (distance) P-C4' energy: -89.965 flat angles C4'-P-C4' energy: -89.189 flat angles P-C4'-P energy: -66.154 tors. eta vs tors. theta energy: -49.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -773.165868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.165868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.165868 (E_RNA) where: Base-Base interactions energy: -456.425 where: short stacking energy: -231.038 Base-Backbone interact. energy: 1.149 local terms energy: -317.889999 where: bonds (distance) C4'-P energy: -71.978 bonds (distance) P-C4' energy: -102.703 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -35.767 tors. eta vs tors. theta energy: -29.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -678.009972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.009972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.009972 (E_RNA) where: Base-Base interactions energy: -342.638 where: short stacking energy: -203.201 Base-Backbone interact. energy: 0.863 local terms energy: -336.235635 where: bonds (distance) C4'-P energy: -89.811 bonds (distance) P-C4' energy: -101.660 flat angles C4'-P-C4' energy: -86.387 flat angles P-C4'-P energy: -47.053 tors. eta vs tors. theta energy: -11.324 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: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -627.627296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.627296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.627296 (E_RNA) where: Base-Base interactions energy: -344.721 where: short stacking energy: -179.736 Base-Backbone interact. energy: 3.690 local terms energy: -286.596359 where: bonds (distance) C4'-P energy: -83.559 bonds (distance) P-C4' energy: -92.503 flat angles C4'-P-C4' energy: -61.007 flat angles P-C4'-P energy: -46.327 tors. eta vs tors. theta energy: -3.200 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: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1799.749433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.749433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.749433 (E_RNA) where: Base-Base interactions energy: -1206.263 where: short stacking energy: -588.028 Base-Backbone interact. energy: 3.608 local terms energy: -597.094658 where: bonds (distance) C4'-P energy: -114.355 bonds (distance) P-C4' energy: -109.727 flat angles C4'-P-C4' energy: -123.666 flat angles P-C4'-P energy: -83.033 tors. eta vs tors. theta energy: -166.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1734.532892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.532892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.532892 (E_RNA) where: Base-Base interactions energy: -1163.524 where: short stacking energy: -515.225 Base-Backbone interact. energy: -0.424 local terms energy: -570.585055 where: bonds (distance) C4'-P energy: -105.607 bonds (distance) P-C4' energy: -116.246 flat angles C4'-P-C4' energy: -121.887 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -150.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1566.127572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.127572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.127572 (E_RNA) where: Base-Base interactions energy: -1047.284 where: short stacking energy: -454.863 Base-Backbone interact. energy: -5.363 local terms energy: -513.480402 where: bonds (distance) C4'-P energy: -96.368 bonds (distance) P-C4' energy: -111.976 flat angles C4'-P-C4' energy: -108.782 flat angles P-C4'-P energy: -77.022 tors. eta vs tors. theta energy: -119.332 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: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1414.415514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.415514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.415514 (E_RNA) where: Base-Base interactions energy: -928.269 where: short stacking energy: -405.899 Base-Backbone interact. energy: -1.706 local terms energy: -484.439889 where: bonds (distance) C4'-P energy: -96.432 bonds (distance) P-C4' energy: -97.398 flat angles C4'-P-C4' energy: -110.472 flat angles P-C4'-P energy: -74.926 tors. eta vs tors. theta energy: -105.213 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: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1288.311946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.311946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.311946 (E_RNA) where: Base-Base interactions energy: -800.991 where: short stacking energy: -373.015 Base-Backbone interact. energy: -0.683 local terms energy: -486.638029 where: bonds (distance) C4'-P energy: -107.631 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -114.864 flat angles P-C4'-P energy: -58.885 tors. eta vs tors. theta energy: -98.004 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: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1085.167955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.167955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.167955 (E_RNA) where: Base-Base interactions energy: -639.751 where: short stacking energy: -309.581 Base-Backbone interact. energy: -0.372 local terms energy: -445.045012 where: bonds (distance) C4'-P energy: -103.513 bonds (distance) P-C4' energy: -102.962 flat angles C4'-P-C4' energy: -102.886 flat angles P-C4'-P energy: -63.393 tors. eta vs tors. theta energy: -72.291 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: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1000.070625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.070625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.070625 (E_RNA) where: Base-Base interactions energy: -590.091 where: short stacking energy: -305.661 Base-Backbone interact. energy: -0.090 local terms energy: -409.889328 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -106.094 flat angles C4'-P-C4' energy: -92.497 flat angles P-C4'-P energy: -54.450 tors. eta vs tors. theta energy: -67.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -778.623405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.623405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.623405 (E_RNA) where: Base-Base interactions energy: -418.509 where: short stacking energy: -230.588 Base-Backbone interact. energy: -1.270 local terms energy: -358.843462 where: bonds (distance) C4'-P energy: -94.672 bonds (distance) P-C4' energy: -100.533 flat angles C4'-P-C4' energy: -85.025 flat angles P-C4'-P energy: -53.342 tors. eta vs tors. theta energy: -25.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -660.126258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.126258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.126258 (E_RNA) where: Base-Base interactions energy: -362.111 where: short stacking energy: -188.731 Base-Backbone interact. energy: -0.228 local terms energy: -297.787299 where: bonds (distance) C4'-P energy: -69.426 bonds (distance) P-C4' energy: -84.447 flat angles C4'-P-C4' energy: -90.255 flat angles P-C4'-P energy: -42.271 tors. eta vs tors. theta energy: -11.389 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: 356 Temperature: 1.350000 Total energy: -611.588404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.588404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.588404 (E_RNA) where: Base-Base interactions energy: -311.566 where: short stacking energy: -155.669 Base-Backbone interact. energy: 2.036 local terms energy: -302.058333 where: bonds (distance) C4'-P energy: -86.196 bonds (distance) P-C4' energy: -86.067 flat angles C4'-P-C4' energy: -86.644 flat angles P-C4'-P energy: -34.998 tors. eta vs tors. theta energy: -8.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1790.807530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.807530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.807530 (E_RNA) where: Base-Base interactions energy: -1214.193 where: short stacking energy: -554.799 Base-Backbone interact. energy: -4.227 local terms energy: -572.387123 where: bonds (distance) C4'-P energy: -97.416 bonds (distance) P-C4' energy: -110.568 flat angles C4'-P-C4' energy: -124.613 flat angles P-C4'-P energy: -77.577 tors. eta vs tors. theta energy: -162.213 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: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1790.184508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.184508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.184508 (E_RNA) where: Base-Base interactions energy: -1204.377 where: short stacking energy: -547.324 Base-Backbone interact. energy: -0.378 local terms energy: -585.429241 where: bonds (distance) C4'-P energy: -100.327 bonds (distance) P-C4' energy: -105.308 flat angles C4'-P-C4' energy: -125.636 flat angles P-C4'-P energy: -91.467 tors. eta vs tors. theta energy: -162.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1558.031087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.031087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.031087 (E_RNA) where: Base-Base interactions energy: -1061.249 where: short stacking energy: -456.909 Base-Backbone interact. energy: -0.580 local terms energy: -496.201604 where: bonds (distance) C4'-P energy: -99.705 bonds (distance) P-C4' energy: -91.601 flat angles C4'-P-C4' energy: -114.548 flat angles P-C4'-P energy: -83.779 tors. eta vs tors. theta energy: -106.569 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: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1471.811694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.811694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.811694 (E_RNA) where: Base-Base interactions energy: -995.309 where: short stacking energy: -436.190 Base-Backbone interact. energy: 2.160 local terms energy: -478.661815 where: bonds (distance) C4'-P energy: -89.448 bonds (distance) P-C4' energy: -104.164 flat angles C4'-P-C4' energy: -102.184 flat angles P-C4'-P energy: -59.767 tors. eta vs tors. theta energy: -123.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1346.229901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.229901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.229901 (E_RNA) where: Base-Base interactions energy: -867.376 where: short stacking energy: -407.773 Base-Backbone interact. energy: -0.241 local terms energy: -478.612531 where: bonds (distance) C4'-P energy: -96.850 bonds (distance) P-C4' energy: -106.406 flat angles C4'-P-C4' energy: -109.200 flat angles P-C4'-P energy: -69.552 tors. eta vs tors. theta energy: -96.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1063.263459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.263459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.263459 (E_RNA) where: Base-Base interactions energy: -659.950 where: short stacking energy: -326.720 Base-Backbone interact. energy: -2.335 local terms energy: -400.979272 where: bonds (distance) C4'-P energy: -98.959 bonds (distance) P-C4' energy: -92.771 flat angles C4'-P-C4' energy: -80.063 flat angles P-C4'-P energy: -55.969 tors. eta vs tors. theta energy: -73.217 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: 357 Temperature: 1.200000 Total energy: -1030.755831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.755831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.755831 (E_RNA) where: Base-Base interactions energy: -623.701 where: short stacking energy: -331.759 Base-Backbone interact. energy: -0.083 local terms energy: -406.971754 where: bonds (distance) C4'-P energy: -92.280 bonds (distance) P-C4' energy: -98.122 flat angles C4'-P-C4' energy: -103.227 flat angles P-C4'-P energy: -59.929 tors. eta vs tors. theta energy: -53.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -815.097319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.097319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.097319 (E_RNA) where: Base-Base interactions energy: -455.277 where: short stacking energy: -218.837 Base-Backbone interact. energy: 0.082 local terms energy: -359.902180 where: bonds (distance) C4'-P energy: -80.340 bonds (distance) P-C4' energy: -102.294 flat angles C4'-P-C4' energy: -91.305 flat angles P-C4'-P energy: -59.265 tors. eta vs tors. theta energy: -26.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -669.718772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.718772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.718772 (E_RNA) where: Base-Base interactions energy: -362.823 where: short stacking energy: -167.400 Base-Backbone interact. energy: 0.563 local terms energy: -307.459168 where: bonds (distance) C4'-P energy: -77.453 bonds (distance) P-C4' energy: -87.524 flat angles C4'-P-C4' energy: -86.757 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -589.395898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.395898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.395898 (E_RNA) where: Base-Base interactions energy: -285.446 where: short stacking energy: -139.621 Base-Backbone interact. energy: 1.469 local terms energy: -305.418717 where: bonds (distance) C4'-P energy: -84.936 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -86.703 flat angles P-C4'-P energy: -53.579 tors. eta vs tors. theta energy: 7.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1782.129079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.129079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.129079 (E_RNA) where: Base-Base interactions energy: -1205.144 where: short stacking energy: -547.969 Base-Backbone interact. energy: -3.391 local terms energy: -573.593964 where: bonds (distance) C4'-P energy: -104.480 bonds (distance) P-C4' energy: -106.327 flat angles C4'-P-C4' energy: -123.524 flat angles P-C4'-P energy: -78.140 tors. eta vs tors. theta energy: -161.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1762.471442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.471442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.471442 (E_RNA) where: Base-Base interactions energy: -1188.517 where: short stacking energy: -533.537 Base-Backbone interact. energy: 1.726 local terms energy: -575.680238 where: bonds (distance) C4'-P energy: -104.931 bonds (distance) P-C4' energy: -109.504 flat angles C4'-P-C4' energy: -125.018 flat angles P-C4'-P energy: -83.221 tors. eta vs tors. theta energy: -153.007 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: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1563.429055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.429055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.429055 (E_RNA) where: Base-Base interactions energy: -1032.182 where: short stacking energy: -487.026 Base-Backbone interact. energy: 7.775 local terms energy: -539.022226 where: bonds (distance) C4'-P energy: -106.985 bonds (distance) P-C4' energy: -103.556 flat angles C4'-P-C4' energy: -113.422 flat angles P-C4'-P energy: -82.187 tors. eta vs tors. theta energy: -132.872 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: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1438.478657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.478657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.478657 (E_RNA) where: Base-Base interactions energy: -943.752 where: short stacking energy: -426.015 Base-Backbone interact. energy: -1.351 local terms energy: -493.376187 where: bonds (distance) C4'-P energy: -102.155 bonds (distance) P-C4' energy: -105.241 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -65.630 tors. eta vs tors. theta energy: -109.574 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: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1334.390073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.390073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.390073 (E_RNA) where: Base-Base interactions energy: -856.162 where: short stacking energy: -420.022 Base-Backbone interact. energy: -2.682 local terms energy: -475.546195 where: bonds (distance) C4'-P energy: -94.557 bonds (distance) P-C4' energy: -100.023 flat angles C4'-P-C4' energy: -96.308 flat angles P-C4'-P energy: -64.635 tors. eta vs tors. theta energy: -120.024 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: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1086.565250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.565250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.565250 (E_RNA) where: Base-Base interactions energy: -669.682 where: short stacking energy: -350.078 Base-Backbone interact. energy: 0.444 local terms energy: -417.327124 where: bonds (distance) C4'-P energy: -103.699 bonds (distance) P-C4' energy: -87.141 flat angles C4'-P-C4' energy: -90.174 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -85.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -995.793278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.793278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.793278 (E_RNA) where: Base-Base interactions energy: -608.542 where: short stacking energy: -323.279 Base-Backbone interact. energy: 0.007 local terms energy: -387.258757 where: bonds (distance) C4'-P energy: -87.625 bonds (distance) P-C4' energy: -93.586 flat angles C4'-P-C4' energy: -89.164 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: -54.668 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: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -846.874884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.874884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.874884 (E_RNA) where: Base-Base interactions energy: -474.475 where: short stacking energy: -261.998 Base-Backbone interact. energy: -0.626 local terms energy: -371.773821 where: bonds (distance) C4'-P energy: -91.388 bonds (distance) P-C4' energy: -99.562 flat angles C4'-P-C4' energy: -87.895 flat angles P-C4'-P energy: -46.631 tors. eta vs tors. theta energy: -46.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -706.872214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.872214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.872214 (E_RNA) where: Base-Base interactions energy: -381.596 where: short stacking energy: -212.513 Base-Backbone interact. energy: 2.780 local terms energy: -328.055531 where: bonds (distance) C4'-P energy: -90.934 bonds (distance) P-C4' energy: -96.902 flat angles C4'-P-C4' energy: -64.532 flat angles P-C4'-P energy: -49.931 tors. eta vs tors. theta energy: -25.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -548.022490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.022490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.022490 (E_RNA) where: Base-Base interactions energy: -244.779 where: short stacking energy: -160.330 Base-Backbone interact. energy: 6.439 local terms energy: -309.682888 where: bonds (distance) C4'-P energy: -73.377 bonds (distance) P-C4' energy: -96.918 flat angles C4'-P-C4' energy: -93.148 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1796.341961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.341961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.341961 (E_RNA) where: Base-Base interactions energy: -1193.397 where: short stacking energy: -549.920 Base-Backbone interact. energy: -3.949 local terms energy: -598.996194 where: bonds (distance) C4'-P energy: -107.786 bonds (distance) P-C4' energy: -112.708 flat angles C4'-P-C4' energy: -125.885 flat angles P-C4'-P energy: -93.854 tors. eta vs tors. theta energy: -158.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1771.734059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.734059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.734059 (E_RNA) where: Base-Base interactions energy: -1186.312 where: short stacking energy: -551.183 Base-Backbone interact. energy: -3.181 local terms energy: -582.240372 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -101.832 flat angles C4'-P-C4' energy: -126.701 flat angles P-C4'-P energy: -88.171 tors. eta vs tors. theta energy: -166.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1550.382011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.382011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.382011 (E_RNA) where: Base-Base interactions energy: -1037.511 where: short stacking energy: -470.644 Base-Backbone interact. energy: -2.628 local terms energy: -510.243096 where: bonds (distance) C4'-P energy: -100.720 bonds (distance) P-C4' energy: -101.415 flat angles C4'-P-C4' energy: -103.713 flat angles P-C4'-P energy: -79.558 tors. eta vs tors. theta energy: -124.837 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: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1431.621285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.621285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.621285 (E_RNA) where: Base-Base interactions energy: -956.575 where: short stacking energy: -416.932 Base-Backbone interact. energy: 7.164 local terms energy: -482.210327 where: bonds (distance) C4'-P energy: -93.011 bonds (distance) P-C4' energy: -108.814 flat angles C4'-P-C4' energy: -111.484 flat angles P-C4'-P energy: -60.294 tors. eta vs tors. theta energy: -108.607 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: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1340.445828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.445828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.445828 (E_RNA) where: Base-Base interactions energy: -867.195 where: short stacking energy: -381.197 Base-Backbone interact. energy: -1.812 local terms energy: -471.438876 where: bonds (distance) C4'-P energy: -92.133 bonds (distance) P-C4' energy: -99.108 flat angles C4'-P-C4' energy: -110.630 flat angles P-C4'-P energy: -71.824 tors. eta vs tors. theta energy: -97.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1127.497646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.497646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.497646 (E_RNA) where: Base-Base interactions energy: -682.124 where: short stacking energy: -315.070 Base-Backbone interact. energy: -3.246 local terms energy: -442.128487 where: bonds (distance) C4'-P energy: -114.151 bonds (distance) P-C4' energy: -102.055 flat angles C4'-P-C4' energy: -97.670 flat angles P-C4'-P energy: -65.764 tors. eta vs tors. theta energy: -62.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -988.630398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.630398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.630398 (E_RNA) where: Base-Base interactions energy: -592.120 where: short stacking energy: -298.636 Base-Backbone interact. energy: -1.143 local terms energy: -395.367814 where: bonds (distance) C4'-P energy: -93.768 bonds (distance) P-C4' energy: -89.046 flat angles C4'-P-C4' energy: -91.875 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: -71.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -813.819351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.819351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.819351 (E_RNA) where: Base-Base interactions energy: -449.320 where: short stacking energy: -241.220 Base-Backbone interact. energy: -0.834 local terms energy: -363.665301 where: bonds (distance) C4'-P energy: -90.996 bonds (distance) P-C4' energy: -93.047 flat angles C4'-P-C4' energy: -95.362 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: -28.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -678.270177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.270177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.270177 (E_RNA) where: Base-Base interactions energy: -355.857 where: short stacking energy: -177.234 Base-Backbone interact. energy: -0.842 local terms energy: -321.570965 where: bonds (distance) C4'-P energy: -80.224 bonds (distance) P-C4' energy: -102.131 flat angles C4'-P-C4' energy: -89.175 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -8.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -561.488473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.488473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.488473 (E_RNA) where: Base-Base interactions energy: -262.524 where: short stacking energy: -157.807 Base-Backbone interact. energy: 1.090 local terms energy: -300.054273 where: bonds (distance) C4'-P energy: -91.393 bonds (distance) P-C4' energy: -96.135 flat angles C4'-P-C4' energy: -72.431 flat angles P-C4'-P energy: -36.744 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1818.381497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.381497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.381497 (E_RNA) where: Base-Base interactions energy: -1223.704 where: short stacking energy: -551.521 Base-Backbone interact. energy: -2.791 local terms energy: -591.886508 where: bonds (distance) C4'-P energy: -114.333 bonds (distance) P-C4' energy: -112.346 flat angles C4'-P-C4' energy: -119.163 flat angles P-C4'-P energy: -71.518 tors. eta vs tors. theta energy: -174.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1752.596173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.596173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.596173 (E_RNA) where: Base-Base interactions energy: -1191.349 where: short stacking energy: -525.294 Base-Backbone interact. energy: -2.119 local terms energy: -559.128266 where: bonds (distance) C4'-P energy: -100.948 bonds (distance) P-C4' energy: -99.197 flat angles C4'-P-C4' energy: -129.979 flat angles P-C4'-P energy: -75.546 tors. eta vs tors. theta energy: -153.458 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: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1569.407765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.407765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.407765 (E_RNA) where: Base-Base interactions energy: -1061.180 where: short stacking energy: -476.040 Base-Backbone interact. energy: -0.381 local terms energy: -507.846782 where: bonds (distance) C4'-P energy: -106.151 bonds (distance) P-C4' energy: -110.504 flat angles C4'-P-C4' energy: -106.731 flat angles P-C4'-P energy: -72.497 tors. eta vs tors. theta energy: -111.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1401.339151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.339151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.339151 (E_RNA) where: Base-Base interactions energy: -912.408 where: short stacking energy: -400.635 Base-Backbone interact. energy: -1.877 local terms energy: -487.053480 where: bonds (distance) C4'-P energy: -107.826 bonds (distance) P-C4' energy: -94.975 flat angles C4'-P-C4' energy: -112.450 flat angles P-C4'-P energy: -63.248 tors. eta vs tors. theta energy: -108.554 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: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1345.368942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.368942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.368942 (E_RNA) where: Base-Base interactions energy: -854.679 where: short stacking energy: -397.996 Base-Backbone interact. energy: -3.362 local terms energy: -487.327792 where: bonds (distance) C4'-P energy: -113.845 bonds (distance) P-C4' energy: -100.648 flat angles C4'-P-C4' energy: -109.737 flat angles P-C4'-P energy: -64.238 tors. eta vs tors. theta energy: -98.860 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: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1186.303438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.303438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.303438 (E_RNA) where: Base-Base interactions energy: -753.412 where: short stacking energy: -347.899 Base-Backbone interact. energy: -1.850 local terms energy: -431.041377 where: bonds (distance) C4'-P energy: -96.724 bonds (distance) P-C4' energy: -100.699 flat angles C4'-P-C4' energy: -97.688 flat angles P-C4'-P energy: -54.190 tors. eta vs tors. theta energy: -81.741 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: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -974.860301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.860301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.860301 (E_RNA) where: Base-Base interactions energy: -581.879 where: short stacking energy: -297.615 Base-Backbone interact. energy: 0.573 local terms energy: -393.554575 where: bonds (distance) C4'-P energy: -94.985 bonds (distance) P-C4' energy: -86.188 flat angles C4'-P-C4' energy: -103.751 flat angles P-C4'-P energy: -70.366 tors. eta vs tors. theta energy: -38.264 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: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -833.459864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.459864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.459864 (E_RNA) where: Base-Base interactions energy: -476.675 where: short stacking energy: -251.188 Base-Backbone interact. energy: -1.185 local terms energy: -355.599586 where: bonds (distance) C4'-P energy: -100.501 bonds (distance) P-C4' energy: -99.449 flat angles C4'-P-C4' energy: -81.315 flat angles P-C4'-P energy: -50.829 tors. eta vs tors. theta energy: -23.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -680.494695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.494695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.494695 (E_RNA) where: Base-Base interactions energy: -348.779 where: short stacking energy: -196.418 Base-Backbone interact. energy: -3.754 local terms energy: -327.962085 where: bonds (distance) C4'-P energy: -78.349 bonds (distance) P-C4' energy: -99.628 flat angles C4'-P-C4' energy: -94.919 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -554.805013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.805013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.805013 (E_RNA) where: Base-Base interactions energy: -269.205 where: short stacking energy: -179.637 Base-Backbone interact. energy: 3.184 local terms energy: -288.784664 where: bonds (distance) C4'-P energy: -92.231 bonds (distance) P-C4' energy: -69.305 flat angles C4'-P-C4' energy: -84.442 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1806.985297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.985297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.985297 (E_RNA) where: Base-Base interactions energy: -1245.669 where: short stacking energy: -531.079 Base-Backbone interact. energy: -5.307 local terms energy: -556.009637 where: bonds (distance) C4'-P energy: -82.657 bonds (distance) P-C4' energy: -114.024 flat angles C4'-P-C4' energy: -123.870 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -159.191 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: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1774.819495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.819495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.819495 (E_RNA) where: Base-Base interactions energy: -1195.264 where: short stacking energy: -542.208 Base-Backbone interact. energy: -0.031 local terms energy: -579.524740 where: bonds (distance) C4'-P energy: -109.661 bonds (distance) P-C4' energy: -115.348 flat angles C4'-P-C4' energy: -115.472 flat angles P-C4'-P energy: -79.536 tors. eta vs tors. theta energy: -159.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1562.437480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.437480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.437480 (E_RNA) where: Base-Base interactions energy: -1074.729 where: short stacking energy: -492.387 Base-Backbone interact. energy: 0.073 local terms energy: -487.781560 where: bonds (distance) C4'-P energy: -97.681 bonds (distance) P-C4' energy: -96.910 flat angles C4'-P-C4' energy: -100.554 flat angles P-C4'-P energy: -68.663 tors. eta vs tors. theta energy: -123.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1461.509384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.509384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.509384 (E_RNA) where: Base-Base interactions energy: -979.495 where: short stacking energy: -439.820 Base-Backbone interact. energy: -2.715 local terms energy: -479.299297 where: bonds (distance) C4'-P energy: -97.474 bonds (distance) P-C4' energy: -97.330 flat angles C4'-P-C4' energy: -110.452 flat angles P-C4'-P energy: -59.169 tors. eta vs tors. theta energy: -114.876 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: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1353.007624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.007624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.007624 (E_RNA) where: Base-Base interactions energy: -897.102 where: short stacking energy: -412.719 Base-Backbone interact. energy: -3.289 local terms energy: -452.616626 where: bonds (distance) C4'-P energy: -91.762 bonds (distance) P-C4' energy: -90.067 flat angles C4'-P-C4' energy: -94.092 flat angles P-C4'-P energy: -61.903 tors. eta vs tors. theta energy: -114.793 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: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1170.437366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.437366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.437366 (E_RNA) where: Base-Base interactions energy: -729.520 where: short stacking energy: -335.925 Base-Backbone interact. energy: -2.389 local terms energy: -438.528155 where: bonds (distance) C4'-P energy: -91.863 bonds (distance) P-C4' energy: -102.139 flat angles C4'-P-C4' energy: -98.576 flat angles P-C4'-P energy: -64.658 tors. eta vs tors. theta energy: -81.291 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: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -956.536159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.536159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.536159 (E_RNA) where: Base-Base interactions energy: -574.467 where: short stacking energy: -289.006 Base-Backbone interact. energy: 0.079 local terms energy: -382.148436 where: bonds (distance) C4'-P energy: -90.762 bonds (distance) P-C4' energy: -96.941 flat angles C4'-P-C4' energy: -99.179 flat angles P-C4'-P energy: -42.463 tors. eta vs tors. theta energy: -52.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -793.757049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.757049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.757049 (E_RNA) where: Base-Base interactions energy: -435.727 where: short stacking energy: -241.386 Base-Backbone interact. energy: -2.383 local terms energy: -355.646827 where: bonds (distance) C4'-P energy: -99.063 bonds (distance) P-C4' energy: -94.947 flat angles C4'-P-C4' energy: -81.316 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -18.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -695.574486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.574486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.574486 (E_RNA) where: Base-Base interactions energy: -372.196 where: short stacking energy: -213.641 Base-Backbone interact. energy: -1.090 local terms energy: -322.287923 where: bonds (distance) C4'-P energy: -92.147 bonds (distance) P-C4' energy: -80.852 flat angles C4'-P-C4' energy: -81.659 flat angles P-C4'-P energy: -55.165 tors. eta vs tors. theta energy: -12.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -623.011850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.011850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.011850 (E_RNA) where: Base-Base interactions energy: -286.921 where: short stacking energy: -173.720 Base-Backbone interact. energy: -2.335 local terms energy: -333.755453 where: bonds (distance) C4'-P energy: -86.027 bonds (distance) P-C4' energy: -90.178 flat angles C4'-P-C4' energy: -85.898 flat angles P-C4'-P energy: -61.612 tors. eta vs tors. theta energy: -10.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1793.365233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.365233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.365233 (E_RNA) where: Base-Base interactions energy: -1216.288 where: short stacking energy: -551.278 Base-Backbone interact. energy: -1.008 local terms energy: -576.069175 where: bonds (distance) C4'-P energy: -107.862 bonds (distance) P-C4' energy: -114.456 flat angles C4'-P-C4' energy: -121.260 flat angles P-C4'-P energy: -76.304 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: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1772.597030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.597030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.597030 (E_RNA) where: Base-Base interactions energy: -1194.299 where: short stacking energy: -530.331 Base-Backbone interact. energy: -3.021 local terms energy: -575.277015 where: bonds (distance) C4'-P energy: -115.055 bonds (distance) P-C4' energy: -107.547 flat angles C4'-P-C4' energy: -119.520 flat angles P-C4'-P energy: -77.514 tors. eta vs tors. theta energy: -155.641 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: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1585.374072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.374072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.374072 (E_RNA) where: Base-Base interactions energy: -1067.382 where: short stacking energy: -478.716 Base-Backbone interact. energy: 1.805 local terms energy: -519.796297 where: bonds (distance) C4'-P energy: -106.590 bonds (distance) P-C4' energy: -104.170 flat angles C4'-P-C4' energy: -114.751 flat angles P-C4'-P energy: -74.207 tors. eta vs tors. theta energy: -120.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1485.376214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.376214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.376214 (E_RNA) where: Base-Base interactions energy: -963.695 where: short stacking energy: -428.115 Base-Backbone interact. energy: -3.265 local terms energy: -518.417093 where: bonds (distance) C4'-P energy: -86.453 bonds (distance) P-C4' energy: -107.922 flat angles C4'-P-C4' energy: -116.305 flat angles P-C4'-P energy: -86.975 tors. eta vs tors. theta energy: -120.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1358.851491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.851491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.851491 (E_RNA) where: Base-Base interactions energy: -886.430 where: short stacking energy: -427.826 Base-Backbone interact. energy: -5.822 local terms energy: -466.599381 where: bonds (distance) C4'-P energy: -93.234 bonds (distance) P-C4' energy: -93.962 flat angles C4'-P-C4' energy: -108.051 flat angles P-C4'-P energy: -65.717 tors. eta vs tors. theta energy: -105.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1202.684055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.684055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.684055 (E_RNA) where: Base-Base interactions energy: -757.582 where: short stacking energy: -375.335 Base-Backbone interact. energy: 6.433 local terms energy: -451.534742 where: bonds (distance) C4'-P energy: -85.707 bonds (distance) P-C4' energy: -98.659 flat angles C4'-P-C4' energy: -111.903 flat angles P-C4'-P energy: -64.771 tors. eta vs tors. theta energy: -90.495 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: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -976.939557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.939557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.939557 (E_RNA) where: Base-Base interactions energy: -585.052 where: short stacking energy: -274.625 Base-Backbone interact. energy: -2.734 local terms energy: -389.153981 where: bonds (distance) C4'-P energy: -99.719 bonds (distance) P-C4' energy: -98.789 flat angles C4'-P-C4' energy: -94.327 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -37.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -786.475573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.475573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.475573 (E_RNA) where: Base-Base interactions energy: -432.706 where: short stacking energy: -245.393 Base-Backbone interact. energy: -1.908 local terms energy: -351.861064 where: bonds (distance) C4'-P energy: -86.760 bonds (distance) P-C4' energy: -92.415 flat angles C4'-P-C4' energy: -88.798 flat angles P-C4'-P energy: -44.748 tors. eta vs tors. theta energy: -39.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -727.336968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.336968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.336968 (E_RNA) where: Base-Base interactions energy: -392.172 where: short stacking energy: -204.487 Base-Backbone interact. energy: -0.608 local terms energy: -334.557322 where: bonds (distance) C4'-P energy: -70.960 bonds (distance) P-C4' energy: -98.529 flat angles C4'-P-C4' energy: -94.017 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: -12.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -573.962147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.962147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.962147 (E_RNA) where: Base-Base interactions energy: -279.235 where: short stacking energy: -169.622 Base-Backbone interact. energy: 3.380 local terms energy: -298.106882 where: bonds (distance) C4'-P energy: -71.098 bonds (distance) P-C4' energy: -93.042 flat angles C4'-P-C4' energy: -80.416 flat angles P-C4'-P energy: -46.327 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1806.892443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.892443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.892443 (E_RNA) where: Base-Base interactions energy: -1197.707 where: short stacking energy: -563.651 Base-Backbone interact. energy: -0.336 local terms energy: -608.848977 where: bonds (distance) C4'-P energy: -114.785 bonds (distance) P-C4' energy: -119.459 flat angles C4'-P-C4' energy: -124.972 flat angles P-C4'-P energy: -87.738 tors. eta vs tors. theta energy: -161.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1719.833570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.833570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.833570 (E_RNA) where: Base-Base interactions energy: -1140.318 where: short stacking energy: -510.154 Base-Backbone interact. energy: -2.036 local terms energy: -577.479909 where: bonds (distance) C4'-P energy: -101.408 bonds (distance) P-C4' energy: -112.498 flat angles C4'-P-C4' energy: -132.725 flat angles P-C4'-P energy: -82.948 tors. eta vs tors. theta energy: -147.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1634.674468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.674468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.674468 (E_RNA) where: Base-Base interactions energy: -1100.406 where: short stacking energy: -469.612 Base-Backbone interact. energy: 1.573 local terms energy: -535.841502 where: bonds (distance) C4'-P energy: -97.382 bonds (distance) P-C4' energy: -105.188 flat angles C4'-P-C4' energy: -125.812 flat angles P-C4'-P energy: -79.111 tors. eta vs tors. theta energy: -128.349 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: 4, replica: 8 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1475.984762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.984762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.984762 (E_RNA) where: Base-Base interactions energy: -972.847 where: short stacking energy: -433.802 Base-Backbone interact. energy: 5.698 local terms energy: -508.835452 where: bonds (distance) C4'-P energy: -96.213 bonds (distance) P-C4' energy: -106.398 flat angles C4'-P-C4' energy: -118.485 flat angles P-C4'-P energy: -69.895 tors. eta vs tors. theta energy: -117.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1320.268285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.268285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.268285 (E_RNA) where: Base-Base interactions energy: -859.359 where: short stacking energy: -404.172 Base-Backbone interact. energy: -1.507 local terms energy: -459.403038 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -108.676 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -92.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1158.959140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.959140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.959140 (E_RNA) where: Base-Base interactions energy: -705.460 where: short stacking energy: -330.035 Base-Backbone interact. energy: 0.256 local terms energy: -453.754572 where: bonds (distance) C4'-P energy: -98.512 bonds (distance) P-C4' energy: -115.678 flat angles C4'-P-C4' energy: -100.274 flat angles P-C4'-P energy: -72.104 tors. eta vs tors. theta energy: -67.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -970.079471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.079471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.079471 (E_RNA) where: Base-Base interactions energy: -574.980 where: short stacking energy: -282.590 Base-Backbone interact. energy: -2.100 local terms energy: -392.999056 where: bonds (distance) C4'-P energy: -74.997 bonds (distance) P-C4' energy: -107.276 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -74.818 tors. eta vs tors. theta energy: -32.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -757.407343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.407343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.407343 (E_RNA) where: Base-Base interactions energy: -396.789 where: short stacking energy: -226.208 Base-Backbone interact. energy: 2.231 local terms energy: -362.848844 where: bonds (distance) C4'-P energy: -78.826 bonds (distance) P-C4' energy: -105.826 flat angles C4'-P-C4' energy: -88.672 flat angles P-C4'-P energy: -61.567 tors. eta vs tors. theta energy: -27.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -722.804187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.804187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.804187 (E_RNA) where: Base-Base interactions energy: -401.987 where: short stacking energy: -190.531 Base-Backbone interact. energy: -4.008 local terms energy: -316.809572 where: bonds (distance) C4'-P energy: -85.105 bonds (distance) P-C4' energy: -88.139 flat angles C4'-P-C4' energy: -76.686 flat angles P-C4'-P energy: -50.599 tors. eta vs tors. theta energy: -16.280 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: 363 Temperature: 1.350000 Total energy: -518.133825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.133825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.133825 (E_RNA) where: Base-Base interactions energy: -251.006 where: short stacking energy: -148.297 Base-Backbone interact. energy: -1.090 local terms energy: -266.037746 where: bonds (distance) C4'-P energy: -76.014 bonds (distance) P-C4' energy: -86.354 flat angles C4'-P-C4' energy: -64.199 flat angles P-C4'-P energy: -40.677 tors. eta vs tors. theta energy: 1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1844.090456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.090456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.090456 (E_RNA) where: Base-Base interactions energy: -1245.655 where: short stacking energy: -562.076 Base-Backbone interact. energy: -2.980 local terms energy: -595.455385 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -125.299 flat angles P-C4'-P energy: -96.772 tors. eta vs tors. theta energy: -158.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1738.725048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.725048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.725048 (E_RNA) where: Base-Base interactions energy: -1168.940 where: short stacking energy: -511.565 Base-Backbone interact. energy: -4.914 local terms energy: -564.871645 where: bonds (distance) C4'-P energy: -103.672 bonds (distance) P-C4' energy: -115.168 flat angles C4'-P-C4' energy: -115.107 flat angles P-C4'-P energy: -79.209 tors. eta vs tors. theta energy: -151.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1595.443192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.443192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.443192 (E_RNA) where: Base-Base interactions energy: -1075.467 where: short stacking energy: -470.506 Base-Backbone interact. energy: -3.504 local terms energy: -516.472290 where: bonds (distance) C4'-P energy: -100.130 bonds (distance) P-C4' energy: -99.945 flat angles C4'-P-C4' energy: -118.419 flat angles P-C4'-P energy: -76.897 tors. eta vs tors. theta energy: -121.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1441.688836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.688836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.688836 (E_RNA) where: Base-Base interactions energy: -944.921 where: short stacking energy: -430.369 Base-Backbone interact. energy: -1.359 local terms energy: -495.408308 where: bonds (distance) C4'-P energy: -95.838 bonds (distance) P-C4' energy: -101.148 flat angles C4'-P-C4' energy: -113.461 flat angles P-C4'-P energy: -72.330 tors. eta vs tors. theta energy: -112.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1304.976735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.976735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.976735 (E_RNA) where: Base-Base interactions energy: -846.318 where: short stacking energy: -409.865 Base-Backbone interact. energy: -2.204 local terms energy: -456.454965 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -101.334 flat angles C4'-P-C4' energy: -99.800 flat angles P-C4'-P energy: -59.258 tors. eta vs tors. theta energy: -113.429 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: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1156.248987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.248987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.248987 (E_RNA) where: Base-Base interactions energy: -733.641 where: short stacking energy: -330.142 Base-Backbone interact. energy: -0.364 local terms energy: -422.244103 where: bonds (distance) C4'-P energy: -89.694 bonds (distance) P-C4' energy: -97.849 flat angles C4'-P-C4' energy: -96.959 flat angles P-C4'-P energy: -58.018 tors. eta vs tors. theta energy: -79.724 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: 364 Temperature: 1.200000 Total energy: -1032.818510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.818510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.818510 (E_RNA) where: Base-Base interactions energy: -656.600 where: short stacking energy: -297.996 Base-Backbone interact. energy: -1.412 local terms energy: -374.806012 where: bonds (distance) C4'-P energy: -96.584 bonds (distance) P-C4' energy: -83.544 flat angles C4'-P-C4' energy: -84.683 flat angles P-C4'-P energy: -62.441 tors. eta vs tors. theta energy: -47.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -802.415046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.415046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.415046 (E_RNA) where: Base-Base interactions energy: -449.876 where: short stacking energy: -217.243 Base-Backbone interact. energy: 1.457 local terms energy: -353.995578 where: bonds (distance) C4'-P energy: -96.882 bonds (distance) P-C4' energy: -96.036 flat angles C4'-P-C4' energy: -95.845 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -22.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -748.190980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.190980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.190980 (E_RNA) where: Base-Base interactions energy: -387.815 where: short stacking energy: -220.465 Base-Backbone interact. energy: -0.356 local terms energy: -360.019554 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -93.244 flat angles C4'-P-C4' energy: -84.979 flat angles P-C4'-P energy: -58.104 tors. eta vs tors. theta energy: -31.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -522.311842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.311842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.311842 (E_RNA) where: Base-Base interactions energy: -221.585 where: short stacking energy: -140.169 Base-Backbone interact. energy: 2.718 local terms energy: -303.444673 where: bonds (distance) C4'-P energy: -89.677 bonds (distance) P-C4' energy: -84.098 flat angles C4'-P-C4' energy: -93.267 flat angles P-C4'-P energy: -56.310 tors. eta vs tors. theta energy: 19.908 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: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1840.232378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.232378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.232378 (E_RNA) where: Base-Base interactions energy: -1227.487 where: short stacking energy: -577.813 Base-Backbone interact. energy: -4.606 local terms energy: -608.139214 where: bonds (distance) C4'-P energy: -108.345 bonds (distance) P-C4' energy: -120.907 flat angles C4'-P-C4' energy: -119.963 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -165.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1743.719609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.719609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.719609 (E_RNA) where: Base-Base interactions energy: -1170.213 where: short stacking energy: -532.533 Base-Backbone interact. energy: -0.700 local terms energy: -572.806268 where: bonds (distance) C4'-P energy: -99.027 bonds (distance) P-C4' energy: -114.537 flat angles C4'-P-C4' energy: -121.152 flat angles P-C4'-P energy: -75.794 tors. eta vs tors. theta energy: -162.297 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: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1552.406690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.406690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.406690 (E_RNA) where: Base-Base interactions energy: -1050.473 where: short stacking energy: -458.849 Base-Backbone interact. energy: -0.851 local terms energy: -501.083184 where: bonds (distance) C4'-P energy: -104.327 bonds (distance) P-C4' energy: -97.302 flat angles C4'-P-C4' energy: -123.764 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: -112.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1445.692465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.692465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.692465 (E_RNA) where: Base-Base interactions energy: -952.703 where: short stacking energy: -441.039 Base-Backbone interact. energy: -0.043 local terms energy: -492.945909 where: bonds (distance) C4'-P energy: -109.744 bonds (distance) P-C4' energy: -94.479 flat angles C4'-P-C4' energy: -109.029 flat angles P-C4'-P energy: -62.482 tors. eta vs tors. theta energy: -117.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1327.360190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.360190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.360190 (E_RNA) where: Base-Base interactions energy: -870.921 where: short stacking energy: -380.845 Base-Backbone interact. energy: -1.753 local terms energy: -454.685966 where: bonds (distance) C4'-P energy: -90.331 bonds (distance) P-C4' energy: -117.332 flat angles C4'-P-C4' energy: -92.221 flat angles P-C4'-P energy: -61.643 tors. eta vs tors. theta energy: -93.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1195.260619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.260619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.260619 (E_RNA) where: Base-Base interactions energy: -743.355 where: short stacking energy: -370.752 Base-Backbone interact. energy: -1.519 local terms energy: -450.387032 where: bonds (distance) C4'-P energy: -93.312 bonds (distance) P-C4' energy: -106.320 flat angles C4'-P-C4' energy: -103.702 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -87.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -974.761452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.761452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.761452 (E_RNA) where: Base-Base interactions energy: -573.201 where: short stacking energy: -262.521 Base-Backbone interact. energy: 0.055 local terms energy: -401.615031 where: bonds (distance) C4'-P energy: -91.272 bonds (distance) P-C4' energy: -95.306 flat angles C4'-P-C4' energy: -104.772 flat angles P-C4'-P energy: -70.883 tors. eta vs tors. theta energy: -39.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -812.645524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.645524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.645524 (E_RNA) where: Base-Base interactions energy: -456.507 where: short stacking energy: -224.745 Base-Backbone interact. energy: 1.264 local terms energy: -357.402216 where: bonds (distance) C4'-P energy: -94.177 bonds (distance) P-C4' energy: -89.922 flat angles C4'-P-C4' energy: -80.354 flat angles P-C4'-P energy: -71.620 tors. eta vs tors. theta energy: -21.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -757.015319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.015319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.015319 (E_RNA) where: Base-Base interactions energy: -410.502 where: short stacking energy: -208.758 Base-Backbone interact. energy: -3.643 local terms energy: -342.870760 where: bonds (distance) C4'-P energy: -77.397 bonds (distance) P-C4' energy: -101.247 flat angles C4'-P-C4' energy: -82.850 flat angles P-C4'-P energy: -63.221 tors. eta vs tors. theta energy: -18.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -495.514675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.514675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.514675 (E_RNA) where: Base-Base interactions energy: -199.971 where: short stacking energy: -128.126 Base-Backbone interact. energy: -1.724 local terms energy: -293.819637 where: bonds (distance) C4'-P energy: -94.663 bonds (distance) P-C4' energy: -90.376 flat angles C4'-P-C4' energy: -82.416 flat angles P-C4'-P energy: -44.435 tors. eta vs tors. theta energy: 18.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1840.611645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.611645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.611645 (E_RNA) where: Base-Base interactions energy: -1230.166 where: short stacking energy: -552.394 Base-Backbone interact. energy: -2.959 local terms energy: -607.486278 where: bonds (distance) C4'-P energy: -119.655 bonds (distance) P-C4' energy: -116.778 flat angles C4'-P-C4' energy: -129.139 flat angles P-C4'-P energy: -81.283 tors. eta vs tors. theta energy: -160.631 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: 6 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1723.363900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.363900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.363900 (E_RNA) where: Base-Base interactions energy: -1133.736 where: short stacking energy: -527.132 Base-Backbone interact. energy: -5.604 local terms energy: -584.023505 where: bonds (distance) C4'-P energy: -112.189 bonds (distance) P-C4' energy: -107.708 flat angles C4'-P-C4' energy: -123.682 flat angles P-C4'-P energy: -87.054 tors. eta vs tors. theta energy: -153.390 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: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1662.335704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.335704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.335704 (E_RNA) where: Base-Base interactions energy: -1131.517 where: short stacking energy: -522.682 Base-Backbone interact. energy: 0.597 local terms energy: -531.415674 where: bonds (distance) C4'-P energy: -90.154 bonds (distance) P-C4' energy: -113.373 flat angles C4'-P-C4' energy: -113.438 flat angles P-C4'-P energy: -80.038 tors. eta vs tors. theta energy: -134.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1455.933802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.933802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.933802 (E_RNA) where: Base-Base interactions energy: -977.660 where: short stacking energy: -432.603 Base-Backbone interact. energy: -2.314 local terms energy: -475.958914 where: bonds (distance) C4'-P energy: -94.044 bonds (distance) P-C4' energy: -91.399 flat angles C4'-P-C4' energy: -104.930 flat angles P-C4'-P energy: -70.939 tors. eta vs tors. theta energy: -114.647 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: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1344.358173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.358173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.358173 (E_RNA) where: Base-Base interactions energy: -850.617 where: short stacking energy: -400.358 Base-Backbone interact. energy: -2.016 local terms energy: -491.725008 where: bonds (distance) C4'-P energy: -100.936 bonds (distance) P-C4' energy: -110.408 flat angles C4'-P-C4' energy: -114.330 flat angles P-C4'-P energy: -62.391 tors. eta vs tors. theta energy: -103.661 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: 6, replica: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1232.318217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.318217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.318217 (E_RNA) where: Base-Base interactions energy: -801.310 where: short stacking energy: -372.638 Base-Backbone interact. energy: -4.633 local terms energy: -426.375557 where: bonds (distance) C4'-P energy: -92.202 bonds (distance) P-C4' energy: -86.748 flat angles C4'-P-C4' energy: -106.279 flat angles P-C4'-P energy: -59.753 tors. eta vs tors. theta energy: -81.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1001.662720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.662720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.662720 (E_RNA) where: Base-Base interactions energy: -618.176 where: short stacking energy: -282.564 Base-Backbone interact. energy: -2.492 local terms energy: -380.994942 where: bonds (distance) C4'-P energy: -95.142 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -92.695 flat angles P-C4'-P energy: -57.269 tors. eta vs tors. theta energy: -43.753 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: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -790.187749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.187749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.187749 (E_RNA) where: Base-Base interactions energy: -437.600 where: short stacking energy: -209.561 Base-Backbone interact. energy: 2.081 local terms energy: -354.668978 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -101.854 flat angles C4'-P-C4' energy: -103.914 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -10.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -755.456348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.456348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.456348 (E_RNA) where: Base-Base interactions energy: -441.962 where: short stacking energy: -209.505 Base-Backbone interact. energy: 3.657 local terms energy: -317.151388 where: bonds (distance) C4'-P energy: -96.185 bonds (distance) P-C4' energy: -97.041 flat angles C4'-P-C4' energy: -63.358 flat angles P-C4'-P energy: -50.280 tors. eta vs tors. theta energy: -10.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -501.468709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.468709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.468709 (E_RNA) where: Base-Base interactions energy: -259.962 where: short stacking energy: -160.486 Base-Backbone interact. energy: 0.660 local terms energy: -242.166776 where: bonds (distance) C4'-P energy: -67.865 bonds (distance) P-C4' energy: -80.904 flat angles C4'-P-C4' energy: -60.069 flat angles P-C4'-P energy: -48.062 tors. eta vs tors. theta energy: 14.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1829.961411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.961411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.961411 (E_RNA) where: Base-Base interactions energy: -1246.990 where: short stacking energy: -581.367 Base-Backbone interact. energy: -2.361 local terms energy: -580.609941 where: bonds (distance) C4'-P energy: -104.644 bonds (distance) P-C4' energy: -109.850 flat angles C4'-P-C4' energy: -121.133 flat angles P-C4'-P energy: -86.662 tors. eta vs tors. theta energy: -158.321 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: 6 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1719.384831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.384831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.384831 (E_RNA) where: Base-Base interactions energy: -1151.828 where: short stacking energy: -527.762 Base-Backbone interact. energy: -3.654 local terms energy: -563.903650 where: bonds (distance) C4'-P energy: -99.272 bonds (distance) P-C4' energy: -123.575 flat angles C4'-P-C4' energy: -109.637 flat angles P-C4'-P energy: -75.899 tors. eta vs tors. theta energy: -155.521 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: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1598.078556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.078556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.078556 (E_RNA) where: Base-Base interactions energy: -1096.110 where: short stacking energy: -468.792 Base-Backbone interact. energy: -3.607 local terms energy: -498.361257 where: bonds (distance) C4'-P energy: -87.779 bonds (distance) P-C4' energy: -103.477 flat angles C4'-P-C4' energy: -108.947 flat angles P-C4'-P energy: -75.075 tors. eta vs tors. theta energy: -123.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1469.439337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.439337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.439337 (E_RNA) where: Base-Base interactions energy: -967.368 where: short stacking energy: -406.887 Base-Backbone interact. energy: -0.077 local terms energy: -501.995024 where: bonds (distance) C4'-P energy: -98.077 bonds (distance) P-C4' energy: -104.911 flat angles C4'-P-C4' energy: -115.780 flat angles P-C4'-P energy: -67.368 tors. eta vs tors. theta energy: -115.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1325.562389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.562389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.562389 (E_RNA) where: Base-Base interactions energy: -841.130 where: short stacking energy: -415.655 Base-Backbone interact. energy: 0.545 local terms energy: -484.977523 where: bonds (distance) C4'-P energy: -99.129 bonds (distance) P-C4' energy: -100.068 flat angles C4'-P-C4' energy: -112.553 flat angles P-C4'-P energy: -62.695 tors. eta vs tors. theta energy: -110.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1256.009903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.009903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.009903 (E_RNA) where: Base-Base interactions energy: -828.149 where: short stacking energy: -365.414 Base-Backbone interact. energy: -1.685 local terms energy: -426.175648 where: bonds (distance) C4'-P energy: -75.610 bonds (distance) P-C4' energy: -93.168 flat angles C4'-P-C4' energy: -104.616 flat angles P-C4'-P energy: -65.814 tors. eta vs tors. theta energy: -86.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1018.556541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.556541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.556541 (E_RNA) where: Base-Base interactions energy: -636.974 where: short stacking energy: -297.607 Base-Backbone interact. energy: 0.053 local terms energy: -381.634928 where: bonds (distance) C4'-P energy: -101.342 bonds (distance) P-C4' energy: -83.039 flat angles C4'-P-C4' energy: -98.539 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -39.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -823.579757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.579757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.579757 (E_RNA) where: Base-Base interactions energy: -489.523 where: short stacking energy: -245.536 Base-Backbone interact. energy: -1.086 local terms energy: -332.971516 where: bonds (distance) C4'-P energy: -91.602 bonds (distance) P-C4' energy: -83.009 flat angles C4'-P-C4' energy: -86.553 flat angles P-C4'-P energy: -39.184 tors. eta vs tors. theta energy: -32.623 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: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -714.255258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.255258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.255258 (E_RNA) where: Base-Base interactions energy: -400.844 where: short stacking energy: -204.608 Base-Backbone interact. energy: 0.530 local terms energy: -313.941277 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -91.280 flat angles C4'-P-C4' energy: -83.842 flat angles P-C4'-P energy: -37.332 tors. eta vs tors. theta energy: -14.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -501.681372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.681372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.681372 (E_RNA) where: Base-Base interactions energy: -225.228 where: short stacking energy: -157.365 Base-Backbone interact. energy: 2.031 local terms energy: -278.484889 where: bonds (distance) C4'-P energy: -70.434 bonds (distance) P-C4' energy: -99.310 flat angles C4'-P-C4' energy: -80.762 flat angles P-C4'-P energy: -38.161 tors. eta vs tors. theta energy: 10.182 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: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1818.552234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.552234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.552234 (E_RNA) where: Base-Base interactions energy: -1225.796 where: short stacking energy: -542.806 Base-Backbone interact. energy: -0.976 local terms energy: -591.779601 where: bonds (distance) C4'-P energy: -107.589 bonds (distance) P-C4' energy: -106.220 flat angles C4'-P-C4' energy: -129.861 flat angles P-C4'-P energy: -83.545 tors. eta vs tors. theta energy: -164.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1700.103776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.103776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.103776 (E_RNA) where: Base-Base interactions energy: -1142.703 where: short stacking energy: -523.430 Base-Backbone interact. energy: -2.777 local terms energy: -554.624221 where: bonds (distance) C4'-P energy: -100.484 bonds (distance) P-C4' energy: -109.204 flat angles C4'-P-C4' energy: -121.384 flat angles P-C4'-P energy: -68.655 tors. eta vs tors. theta energy: -154.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1573.307436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.307436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.307436 (E_RNA) where: Base-Base interactions energy: -1062.729 where: short stacking energy: -460.330 Base-Backbone interact. energy: -5.383 local terms energy: -505.194623 where: bonds (distance) C4'-P energy: -102.325 bonds (distance) P-C4' energy: -86.265 flat angles C4'-P-C4' energy: -111.291 flat angles P-C4'-P energy: -71.344 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: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1478.631087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.631087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.631087 (E_RNA) where: Base-Base interactions energy: -974.705 where: short stacking energy: -424.069 Base-Backbone interact. energy: 1.813 local terms energy: -505.738912 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -102.939 flat angles C4'-P-C4' energy: -124.094 flat angles P-C4'-P energy: -84.634 tors. eta vs tors. theta energy: -98.051 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: 4 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1297.977214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.977214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.977214 (E_RNA) where: Base-Base interactions energy: -823.727 where: short stacking energy: -379.342 Base-Backbone interact. energy: -0.283 local terms energy: -473.967379 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -107.897 flat angles C4'-P-C4' energy: -98.768 flat angles P-C4'-P energy: -76.030 tors. eta vs tors. theta energy: -89.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1207.559486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.559486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.559486 (E_RNA) where: Base-Base interactions energy: -776.123 where: short stacking energy: -343.337 Base-Backbone interact. energy: -2.357 local terms energy: -429.079605 where: bonds (distance) C4'-P energy: -92.818 bonds (distance) P-C4' energy: -110.106 flat angles C4'-P-C4' energy: -94.188 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -75.250 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: 9 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1000.407170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.407170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.407170 (E_RNA) where: Base-Base interactions energy: -615.080 where: short stacking energy: -278.351 Base-Backbone interact. energy: -1.016 local terms energy: -384.311419 where: bonds (distance) C4'-P energy: -94.948 bonds (distance) P-C4' energy: -93.155 flat angles C4'-P-C4' energy: -98.428 flat angles P-C4'-P energy: -53.872 tors. eta vs tors. theta energy: -43.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -849.045136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.045136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.045136 (E_RNA) where: Base-Base interactions energy: -475.780 where: short stacking energy: -235.035 Base-Backbone interact. energy: -2.747 local terms energy: -370.517973 where: bonds (distance) C4'-P energy: -73.676 bonds (distance) P-C4' energy: -93.300 flat angles C4'-P-C4' energy: -99.166 flat angles P-C4'-P energy: -61.582 tors. eta vs tors. theta energy: -42.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -696.401840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.401840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.401840 (E_RNA) where: Base-Base interactions energy: -381.077 where: short stacking energy: -210.255 Base-Backbone interact. energy: 0.738 local terms energy: -316.062757 where: bonds (distance) C4'-P energy: -78.205 bonds (distance) P-C4' energy: -88.610 flat angles C4'-P-C4' energy: -76.190 flat angles P-C4'-P energy: -61.703 tors. eta vs tors. theta energy: -11.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -428.817522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.817522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.817522 (E_RNA) where: Base-Base interactions energy: -143.016 where: short stacking energy: -91.541 Base-Backbone interact. energy: -0.380 local terms energy: -285.421790 where: bonds (distance) C4'-P energy: -80.525 bonds (distance) P-C4' energy: -102.294 flat angles C4'-P-C4' energy: -85.451 flat angles P-C4'-P energy: -51.920 tors. eta vs tors. theta energy: 34.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1812.867309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.867309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.867309 (E_RNA) where: Base-Base interactions energy: -1222.870 where: short stacking energy: -557.278 Base-Backbone interact. energy: -0.477 local terms energy: -589.520076 where: bonds (distance) C4'-P energy: -99.665 bonds (distance) P-C4' energy: -106.163 flat angles C4'-P-C4' energy: -140.369 flat angles P-C4'-P energy: -86.078 tors. eta vs tors. theta energy: -157.246 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: 369 Temperature: 0.950000 Total energy: -1718.031614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.031614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.031614 (E_RNA) where: Base-Base interactions energy: -1141.789 where: short stacking energy: -522.123 Base-Backbone interact. energy: -0.299 local terms energy: -575.943769 where: bonds (distance) C4'-P energy: -101.798 bonds (distance) P-C4' energy: -113.996 flat angles C4'-P-C4' energy: -132.634 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -158.579 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: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1564.066850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.066850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.066850 (E_RNA) where: Base-Base interactions energy: -1057.046 where: short stacking energy: -495.263 Base-Backbone interact. energy: -4.860 local terms energy: -502.161010 where: bonds (distance) C4'-P energy: -94.771 bonds (distance) P-C4' energy: -108.085 flat angles C4'-P-C4' energy: -103.977 flat angles P-C4'-P energy: -72.700 tors. eta vs tors. theta energy: -122.627 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: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1479.343720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.343720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.343720 (E_RNA) where: Base-Base interactions energy: -967.519 where: short stacking energy: -427.236 Base-Backbone interact. energy: -0.858 local terms energy: -510.967306 where: bonds (distance) C4'-P energy: -112.861 bonds (distance) P-C4' energy: -101.008 flat angles C4'-P-C4' energy: -111.179 flat angles P-C4'-P energy: -70.593 tors. eta vs tors. theta energy: -115.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1290.070126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.070126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.070126 (E_RNA) where: Base-Base interactions energy: -833.017 where: short stacking energy: -395.404 Base-Backbone interact. energy: 1.152 local terms energy: -458.204606 where: bonds (distance) C4'-P energy: -94.419 bonds (distance) P-C4' energy: -109.941 flat angles C4'-P-C4' energy: -95.089 flat angles P-C4'-P energy: -56.531 tors. eta vs tors. theta energy: -102.224 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: 369 Temperature: 1.150000 Total energy: -1224.702788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.702788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.702788 (E_RNA) where: Base-Base interactions energy: -799.630 where: short stacking energy: -378.975 Base-Backbone interact. energy: 0.645 local terms energy: -425.718480 where: bonds (distance) C4'-P energy: -86.380 bonds (distance) P-C4' energy: -100.528 flat angles C4'-P-C4' energy: -88.318 flat angles P-C4'-P energy: -53.963 tors. eta vs tors. theta energy: -96.530 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: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -963.253329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.253329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.253329 (E_RNA) where: Base-Base interactions energy: -574.893 where: short stacking energy: -272.811 Base-Backbone interact. energy: 1.545 local terms energy: -389.904792 where: bonds (distance) C4'-P energy: -85.617 bonds (distance) P-C4' energy: -94.183 flat angles C4'-P-C4' energy: -92.677 flat angles P-C4'-P energy: -54.542 tors. eta vs tors. theta energy: -62.886 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: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -855.023703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.023703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.023703 (E_RNA) where: Base-Base interactions energy: -517.939 where: short stacking energy: -261.521 Base-Backbone interact. energy: 0.246 local terms energy: -337.330263 where: bonds (distance) C4'-P energy: -66.715 bonds (distance) P-C4' energy: -92.524 flat angles C4'-P-C4' energy: -82.921 flat angles P-C4'-P energy: -59.252 tors. eta vs tors. theta energy: -35.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -660.321326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.321326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.321326 (E_RNA) where: Base-Base interactions energy: -337.978 where: short stacking energy: -191.909 Base-Backbone interact. energy: -0.228 local terms energy: -322.114990 where: bonds (distance) C4'-P energy: -74.930 bonds (distance) P-C4' energy: -97.404 flat angles C4'-P-C4' energy: -92.274 flat angles P-C4'-P energy: -44.790 tors. eta vs tors. theta energy: -12.717 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: 369 Temperature: 1.350000 Total energy: -431.663573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.663573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.663573 (E_RNA) where: Base-Base interactions energy: -159.953 where: short stacking energy: -148.116 Base-Backbone interact. energy: 1.745 local terms energy: -273.455060 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -91.233 flat angles C4'-P-C4' energy: -60.731 flat angles P-C4'-P energy: -53.931 tors. eta vs tors. theta energy: 13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1843.124746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.124746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.124746 (E_RNA) where: Base-Base interactions energy: -1244.434 where: short stacking energy: -560.680 Base-Backbone interact. energy: 0.312 local terms energy: -599.001869 where: bonds (distance) C4'-P energy: -107.528 bonds (distance) P-C4' energy: -116.923 flat angles C4'-P-C4' energy: -129.016 flat angles P-C4'-P energy: -79.617 tors. eta vs tors. theta energy: -165.918 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: 370 Temperature: 0.950000 Total energy: -1727.002971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.002971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.002971 (E_RNA) where: Base-Base interactions energy: -1157.506 where: short stacking energy: -524.763 Base-Backbone interact. energy: -2.480 local terms energy: -567.017348 where: bonds (distance) C4'-P energy: -109.463 bonds (distance) P-C4' energy: -98.034 flat angles C4'-P-C4' energy: -122.554 flat angles P-C4'-P energy: -81.884 tors. eta vs tors. theta energy: -155.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1564.324555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.324555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.324555 (E_RNA) where: Base-Base interactions energy: -1040.945 where: short stacking energy: -455.985 Base-Backbone interact. energy: -0.746 local terms energy: -522.633552 where: bonds (distance) C4'-P energy: -107.237 bonds (distance) P-C4' energy: -102.500 flat angles C4'-P-C4' energy: -113.600 flat angles P-C4'-P energy: -82.062 tors. eta vs tors. theta energy: -117.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1496.173070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.173070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.173070 (E_RNA) where: Base-Base interactions energy: -1025.782 where: short stacking energy: -423.877 Base-Backbone interact. energy: -1.463 local terms energy: -468.928561 where: bonds (distance) C4'-P energy: -96.085 bonds (distance) P-C4' energy: -92.086 flat angles C4'-P-C4' energy: -115.209 flat angles P-C4'-P energy: -53.914 tors. eta vs tors. theta energy: -111.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1336.347185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.347185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.347185 (E_RNA) where: Base-Base interactions energy: -825.676 where: short stacking energy: -407.201 Base-Backbone interact. energy: -3.171 local terms energy: -507.500498 where: bonds (distance) C4'-P energy: -89.688 bonds (distance) P-C4' energy: -125.449 flat angles C4'-P-C4' energy: -102.918 flat angles P-C4'-P energy: -74.196 tors. eta vs tors. theta energy: -115.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1181.018667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.018667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.018667 (E_RNA) where: Base-Base interactions energy: -762.008 where: short stacking energy: -362.250 Base-Backbone interact. energy: -0.714 local terms energy: -418.296072 where: bonds (distance) C4'-P energy: -98.749 bonds (distance) P-C4' energy: -96.474 flat angles C4'-P-C4' energy: -107.644 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -74.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -986.910525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.910525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.910525 (E_RNA) where: Base-Base interactions energy: -571.927 where: short stacking energy: -275.098 Base-Backbone interact. energy: -0.111 local terms energy: -414.872885 where: bonds (distance) C4'-P energy: -92.824 bonds (distance) P-C4' energy: -100.639 flat angles C4'-P-C4' energy: -110.847 flat angles P-C4'-P energy: -64.479 tors. eta vs tors. theta energy: -46.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -863.036687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.036687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.036687 (E_RNA) where: Base-Base interactions energy: -500.849 where: short stacking energy: -250.531 Base-Backbone interact. energy: 0.985 local terms energy: -363.172259 where: bonds (distance) C4'-P energy: -87.142 bonds (distance) P-C4' energy: -97.427 flat angles C4'-P-C4' energy: -90.872 flat angles P-C4'-P energy: -51.967 tors. eta vs tors. theta energy: -35.764 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: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -688.109990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.109990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.109990 (E_RNA) where: Base-Base interactions energy: -362.578 where: short stacking energy: -197.547 Base-Backbone interact. energy: -0.889 local terms energy: -324.642560 where: bonds (distance) C4'-P energy: -99.458 bonds (distance) P-C4' energy: -99.012 flat angles C4'-P-C4' energy: -90.283 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: 5.035 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: 370 Temperature: 1.350000 Total energy: -426.264285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.264285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.264285 (E_RNA) where: Base-Base interactions energy: -156.546 where: short stacking energy: -116.462 Base-Backbone interact. energy: -0.445 local terms energy: -269.273368 where: bonds (distance) C4'-P energy: -82.749 bonds (distance) P-C4' energy: -91.974 flat angles C4'-P-C4' energy: -76.710 flat angles P-C4'-P energy: -47.266 tors. eta vs tors. theta energy: 29.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1810.528651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.528651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.528651 (E_RNA) where: Base-Base interactions energy: -1242.303 where: short stacking energy: -561.339 Base-Backbone interact. energy: -1.061 local terms energy: -567.164494 where: bonds (distance) C4'-P energy: -114.459 bonds (distance) P-C4' energy: -112.032 flat angles C4'-P-C4' energy: -123.321 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -154.475 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: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1712.304227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.304227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.304227 (E_RNA) where: Base-Base interactions energy: -1142.707 where: short stacking energy: -524.002 Base-Backbone interact. energy: -1.382 local terms energy: -568.214450 where: bonds (distance) C4'-P energy: -117.307 bonds (distance) P-C4' energy: -109.252 flat angles C4'-P-C4' energy: -114.078 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -149.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1556.789549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.789549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.789549 (E_RNA) where: Base-Base interactions energy: -1055.508 where: short stacking energy: -487.887 Base-Backbone interact. energy: 3.659 local terms energy: -504.940461 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -91.593 flat angles C4'-P-C4' energy: -117.692 flat angles P-C4'-P energy: -66.200 tors. eta vs tors. theta energy: -124.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1454.491405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.491405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.491405 (E_RNA) where: Base-Base interactions energy: -988.887 where: short stacking energy: -419.442 Base-Backbone interact. energy: -1.013 local terms energy: -464.591441 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -109.999 flat angles C4'-P-C4' energy: -109.168 flat angles P-C4'-P energy: -59.199 tors. eta vs tors. theta energy: -108.477 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: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1402.526503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.526503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.526503 (E_RNA) where: Base-Base interactions energy: -900.317 where: short stacking energy: -420.757 Base-Backbone interact. energy: -3.790 local terms energy: -498.419629 where: bonds (distance) C4'-P energy: -103.159 bonds (distance) P-C4' energy: -104.314 flat angles C4'-P-C4' energy: -113.912 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -108.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1197.452456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.452456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.452456 (E_RNA) where: Base-Base interactions energy: -778.937 where: short stacking energy: -371.864 Base-Backbone interact. energy: 2.333 local terms energy: -420.848272 where: bonds (distance) C4'-P energy: -85.847 bonds (distance) P-C4' energy: -89.944 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -71.996 tors. eta vs tors. theta energy: -78.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -952.356897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.356897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.356897 (E_RNA) where: Base-Base interactions energy: -568.625 where: short stacking energy: -262.723 Base-Backbone interact. energy: 0.190 local terms energy: -383.922038 where: bonds (distance) C4'-P energy: -96.182 bonds (distance) P-C4' energy: -96.201 flat angles C4'-P-C4' energy: -87.152 flat angles P-C4'-P energy: -57.239 tors. eta vs tors. theta energy: -47.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -906.273297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.273297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.273297 (E_RNA) where: Base-Base interactions energy: -543.623 where: short stacking energy: -275.476 Base-Backbone interact. energy: 2.613 local terms energy: -365.263130 where: bonds (distance) C4'-P energy: -96.088 bonds (distance) P-C4' energy: -79.208 flat angles C4'-P-C4' energy: -90.688 flat angles P-C4'-P energy: -47.333 tors. eta vs tors. theta energy: -51.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -687.816293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.816293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.816293 (E_RNA) where: Base-Base interactions energy: -362.420 where: short stacking energy: -198.575 Base-Backbone interact. energy: -2.529 local terms energy: -322.866972 where: bonds (distance) C4'-P energy: -83.249 bonds (distance) P-C4' energy: -79.485 flat angles C4'-P-C4' energy: -91.096 flat angles P-C4'-P energy: -51.677 tors. eta vs tors. theta energy: -17.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -473.738348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.738348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.738348 (E_RNA) where: Base-Base interactions energy: -181.006 where: short stacking energy: -135.885 Base-Backbone interact. energy: -1.844 local terms energy: -290.888119 where: bonds (distance) C4'-P energy: -83.561 bonds (distance) P-C4' energy: -103.432 flat angles C4'-P-C4' energy: -59.854 flat angles P-C4'-P energy: -48.362 tors. eta vs tors. theta energy: 4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1849.174167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.174167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.174167 (E_RNA) where: Base-Base interactions energy: -1266.843 where: short stacking energy: -558.716 Base-Backbone interact. energy: -0.813 local terms energy: -581.518707 where: bonds (distance) C4'-P energy: -97.381 bonds (distance) P-C4' energy: -117.869 flat angles C4'-P-C4' energy: -126.353 flat angles P-C4'-P energy: -88.510 tors. eta vs tors. theta energy: -151.407 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: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1722.125146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.125146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.125146 (E_RNA) where: Base-Base interactions energy: -1151.171 where: short stacking energy: -535.564 Base-Backbone interact. energy: -4.256 local terms energy: -566.698933 where: bonds (distance) C4'-P energy: -105.525 bonds (distance) P-C4' energy: -100.693 flat angles C4'-P-C4' energy: -119.293 flat angles P-C4'-P energy: -73.759 tors. eta vs tors. theta energy: -167.428 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: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1609.307456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.307456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.307456 (E_RNA) where: Base-Base interactions energy: -1092.275 where: short stacking energy: -477.481 Base-Backbone interact. energy: 2.690 local terms energy: -519.722324 where: bonds (distance) C4'-P energy: -97.886 bonds (distance) P-C4' energy: -102.071 flat angles C4'-P-C4' energy: -121.610 flat angles P-C4'-P energy: -72.706 tors. eta vs tors. theta energy: -125.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1490.047416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.047416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.047416 (E_RNA) where: Base-Base interactions energy: -1000.500 where: short stacking energy: -427.985 Base-Backbone interact. energy: -2.696 local terms energy: -486.851809 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -102.124 flat angles C4'-P-C4' energy: -110.524 flat angles P-C4'-P energy: -68.584 tors. eta vs tors. theta energy: -108.468 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: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1391.412242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.412242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.412242 (E_RNA) where: Base-Base interactions energy: -890.746 where: short stacking energy: -390.292 Base-Backbone interact. energy: -1.200 local terms energy: -499.465678 where: bonds (distance) C4'-P energy: -97.119 bonds (distance) P-C4' energy: -100.756 flat angles C4'-P-C4' energy: -108.419 flat angles P-C4'-P energy: -82.161 tors. eta vs tors. theta energy: -111.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1223.355860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.355860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.355860 (E_RNA) where: Base-Base interactions energy: -778.875 where: short stacking energy: -373.651 Base-Backbone interact. energy: 0.624 local terms energy: -445.104222 where: bonds (distance) C4'-P energy: -104.893 bonds (distance) P-C4' energy: -101.603 flat angles C4'-P-C4' energy: -99.118 flat angles P-C4'-P energy: -61.236 tors. eta vs tors. theta energy: -78.254 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: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -945.226761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.226761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.226761 (E_RNA) where: Base-Base interactions energy: -545.994 where: short stacking energy: -253.925 Base-Backbone interact. energy: -1.289 local terms energy: -397.943497 where: bonds (distance) C4'-P energy: -104.335 bonds (distance) P-C4' energy: -103.723 flat angles C4'-P-C4' energy: -79.508 flat angles P-C4'-P energy: -74.887 tors. eta vs tors. theta energy: -35.490 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: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -837.936787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.936787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.936787 (E_RNA) where: Base-Base interactions energy: -470.455 where: short stacking energy: -254.326 Base-Backbone interact. energy: 1.742 local terms energy: -369.223938 where: bonds (distance) C4'-P energy: -82.851 bonds (distance) P-C4' energy: -94.451 flat angles C4'-P-C4' energy: -96.395 flat angles P-C4'-P energy: -50.971 tors. eta vs tors. theta energy: -44.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -668.535605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.535605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.535605 (E_RNA) where: Base-Base interactions energy: -336.848 where: short stacking energy: -178.331 Base-Backbone interact. energy: -2.069 local terms energy: -329.618682 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -88.224 flat angles C4'-P-C4' energy: -85.653 flat angles P-C4'-P energy: -54.379 tors. eta vs tors. theta energy: -13.322 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: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -452.929658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.929658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.929658 (E_RNA) where: Base-Base interactions energy: -192.308 where: short stacking energy: -125.688 Base-Backbone interact. energy: 1.054 local terms energy: -261.675273 where: bonds (distance) C4'-P energy: -68.425 bonds (distance) P-C4' energy: -96.713 flat angles C4'-P-C4' energy: -63.482 flat angles P-C4'-P energy: -49.680 tors. eta vs tors. theta energy: 16.624 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: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1826.523955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.523955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.523955 (E_RNA) where: Base-Base interactions energy: -1227.209 where: short stacking energy: -538.801 Base-Backbone interact. energy: -3.213 local terms energy: -596.102152 where: bonds (distance) C4'-P energy: -118.177 bonds (distance) P-C4' energy: -113.439 flat angles C4'-P-C4' energy: -117.764 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -161.412 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: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1730.445800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.445800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.445800 (E_RNA) where: Base-Base interactions energy: -1143.968 where: short stacking energy: -518.264 Base-Backbone interact. energy: 2.425 local terms energy: -588.902301 where: bonds (distance) C4'-P energy: -119.769 bonds (distance) P-C4' energy: -107.750 flat angles C4'-P-C4' energy: -123.321 flat angles P-C4'-P energy: -81.843 tors. eta vs tors. theta energy: -156.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1561.982941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.982941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.982941 (E_RNA) where: Base-Base interactions energy: -1020.422 where: short stacking energy: -432.575 Base-Backbone interact. energy: -3.167 local terms energy: -538.393841 where: bonds (distance) C4'-P energy: -109.389 bonds (distance) P-C4' energy: -112.939 flat angles C4'-P-C4' energy: -110.771 flat angles P-C4'-P energy: -84.268 tors. eta vs tors. theta energy: -121.027 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: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1490.108469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.108469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.108469 (E_RNA) where: Base-Base interactions energy: -997.004 where: short stacking energy: -437.368 Base-Backbone interact. energy: 0.164 local terms energy: -493.268406 where: bonds (distance) C4'-P energy: -105.890 bonds (distance) P-C4' energy: -99.587 flat angles C4'-P-C4' energy: -101.903 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: -117.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1393.746171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.746171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.746171 (E_RNA) where: Base-Base interactions energy: -906.078 where: short stacking energy: -427.697 Base-Backbone interact. energy: -2.910 local terms energy: -484.758717 where: bonds (distance) C4'-P energy: -95.376 bonds (distance) P-C4' energy: -91.507 flat angles C4'-P-C4' energy: -115.681 flat angles P-C4'-P energy: -63.786 tors. eta vs tors. theta energy: -118.408 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: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1228.821724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.821724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.821724 (E_RNA) where: Base-Base interactions energy: -782.234 where: short stacking energy: -357.989 Base-Backbone interact. energy: -0.477 local terms energy: -446.111237 where: bonds (distance) C4'-P energy: -89.997 bonds (distance) P-C4' energy: -108.064 flat angles C4'-P-C4' energy: -108.672 flat angles P-C4'-P energy: -54.315 tors. eta vs tors. theta energy: -85.064 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: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -957.275283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.275283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.275283 (E_RNA) where: Base-Base interactions energy: -570.538 where: short stacking energy: -263.673 Base-Backbone interact. energy: -2.082 local terms energy: -384.654820 where: bonds (distance) C4'-P energy: -95.541 bonds (distance) P-C4' energy: -92.712 flat angles C4'-P-C4' energy: -88.762 flat angles P-C4'-P energy: -61.782 tors. eta vs tors. theta energy: -45.857 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: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -847.260131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.260131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.260131 (E_RNA) where: Base-Base interactions energy: -479.226 where: short stacking energy: -258.641 Base-Backbone interact. energy: -1.311 local terms energy: -366.722343 where: bonds (distance) C4'-P energy: -86.443 bonds (distance) P-C4' energy: -104.224 flat angles C4'-P-C4' energy: -91.946 flat angles P-C4'-P energy: -48.128 tors. eta vs tors. theta energy: -35.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -666.641624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.641624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.641624 (E_RNA) where: Base-Base interactions energy: -327.734 where: short stacking energy: -192.712 Base-Backbone interact. energy: 0.347 local terms energy: -339.254362 where: bonds (distance) C4'-P energy: -97.067 bonds (distance) P-C4' energy: -107.065 flat angles C4'-P-C4' energy: -83.099 flat angles P-C4'-P energy: -40.744 tors. eta vs tors. theta energy: -11.280 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: 373 Temperature: 1.350000 Total energy: -481.751402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.751402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.751402 (E_RNA) where: Base-Base interactions energy: -169.743 where: short stacking energy: -115.342 Base-Backbone interact. energy: -1.740 local terms energy: -310.268967 where: bonds (distance) C4'-P energy: -85.246 bonds (distance) P-C4' energy: -99.067 flat angles C4'-P-C4' energy: -99.261 flat angles P-C4'-P energy: -34.324 tors. eta vs tors. theta energy: 7.629 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: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1840.656728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.656728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.656728 (E_RNA) where: Base-Base interactions energy: -1255.896 where: short stacking energy: -557.086 Base-Backbone interact. energy: 2.076 local terms energy: -586.836622 where: bonds (distance) C4'-P energy: -103.372 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -128.210 flat angles P-C4'-P energy: -82.724 tors. eta vs tors. theta energy: -161.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1750.989678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.989678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.989678 (E_RNA) where: Base-Base interactions energy: -1183.981 where: short stacking energy: -540.655 Base-Backbone interact. energy: 3.731 local terms energy: -570.739718 where: bonds (distance) C4'-P energy: -103.294 bonds (distance) P-C4' energy: -108.753 flat angles C4'-P-C4' energy: -121.356 flat angles P-C4'-P energy: -77.286 tors. eta vs tors. theta energy: -160.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1578.871956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.871956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.871956 (E_RNA) where: Base-Base interactions energy: -1074.043 where: short stacking energy: -472.762 Base-Backbone interact. energy: -0.286 local terms energy: -504.543191 where: bonds (distance) C4'-P energy: -95.547 bonds (distance) P-C4' energy: -93.629 flat angles C4'-P-C4' energy: -114.504 flat angles P-C4'-P energy: -72.754 tors. eta vs tors. theta energy: -128.109 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: 4, replica: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1458.854690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.854690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.854690 (E_RNA) where: Base-Base interactions energy: -965.294 where: short stacking energy: -420.532 Base-Backbone interact. energy: -3.588 local terms energy: -489.971768 where: bonds (distance) C4'-P energy: -101.380 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -98.976 flat angles P-C4'-P energy: -71.290 tors. eta vs tors. theta energy: -111.957 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: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1368.968637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.968637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.968637 (E_RNA) where: Base-Base interactions energy: -900.413 where: short stacking energy: -409.997 Base-Backbone interact. energy: -3.588 local terms energy: -464.967086 where: bonds (distance) C4'-P energy: -99.646 bonds (distance) P-C4' energy: -97.868 flat angles C4'-P-C4' energy: -107.667 flat angles P-C4'-P energy: -62.175 tors. eta vs tors. theta energy: -97.612 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: 374 Temperature: 1.150000 Total energy: -1230.317794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.317794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.317794 (E_RNA) where: Base-Base interactions energy: -783.650 where: short stacking energy: -375.651 Base-Backbone interact. energy: 1.448 local terms energy: -448.115707 where: bonds (distance) C4'-P energy: -96.794 bonds (distance) P-C4' energy: -105.284 flat angles C4'-P-C4' energy: -102.614 flat angles P-C4'-P energy: -62.530 tors. eta vs tors. theta energy: -80.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -875.948861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.948861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.948861 (E_RNA) where: Base-Base interactions energy: -504.632 where: short stacking energy: -275.501 Base-Backbone interact. energy: 3.263 local terms energy: -374.580229 where: bonds (distance) C4'-P energy: -101.497 bonds (distance) P-C4' energy: -85.866 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -41.822 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: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -868.680226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.680226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.680226 (E_RNA) where: Base-Base interactions energy: -519.065 where: short stacking energy: -233.847 Base-Backbone interact. energy: 4.727 local terms energy: -354.341685 where: bonds (distance) C4'-P energy: -93.966 bonds (distance) P-C4' energy: -96.714 flat angles C4'-P-C4' energy: -94.230 flat angles P-C4'-P energy: -50.993 tors. eta vs tors. theta energy: -18.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -671.403205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.403205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.403205 (E_RNA) where: Base-Base interactions energy: -336.369 where: short stacking energy: -198.811 Base-Backbone interact. energy: -1.766 local terms energy: -333.267490 where: bonds (distance) C4'-P energy: -96.521 bonds (distance) P-C4' energy: -87.820 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: -21.656 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: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -560.303000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.303000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.303000 (E_RNA) where: Base-Base interactions energy: -263.455 where: short stacking energy: -153.952 Base-Backbone interact. energy: -1.560 local terms energy: -295.288065 where: bonds (distance) C4'-P energy: -83.650 bonds (distance) P-C4' energy: -99.084 flat angles C4'-P-C4' energy: -81.297 flat angles P-C4'-P energy: -42.307 tors. eta vs tors. theta energy: 11.050 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: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1842.773038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.773038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.773038 (E_RNA) where: Base-Base interactions energy: -1262.537 where: short stacking energy: -557.605 Base-Backbone interact. energy: 0.241 local terms energy: -580.476893 where: bonds (distance) C4'-P energy: -106.999 bonds (distance) P-C4' energy: -96.578 flat angles C4'-P-C4' energy: -130.330 flat angles P-C4'-P energy: -86.612 tors. eta vs tors. theta energy: -159.958 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: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1753.352133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.352133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.352133 (E_RNA) where: Base-Base interactions energy: -1194.261 where: short stacking energy: -525.081 Base-Backbone interact. energy: -5.442 local terms energy: -553.648988 where: bonds (distance) C4'-P energy: -88.712 bonds (distance) P-C4' energy: -109.440 flat angles C4'-P-C4' energy: -123.039 flat angles P-C4'-P energy: -83.140 tors. eta vs tors. theta energy: -149.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1560.572799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.572799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.572799 (E_RNA) where: Base-Base interactions energy: -1021.154 where: short stacking energy: -484.084 Base-Backbone interact. energy: -3.164 local terms energy: -536.254832 where: bonds (distance) C4'-P energy: -97.068 bonds (distance) P-C4' energy: -110.716 flat angles C4'-P-C4' energy: -114.269 flat angles P-C4'-P energy: -92.229 tors. eta vs tors. theta energy: -121.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1491.959655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.959655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.959655 (E_RNA) where: Base-Base interactions energy: -998.041 where: short stacking energy: -443.282 Base-Backbone interact. energy: -1.819 local terms energy: -492.098730 where: bonds (distance) C4'-P energy: -95.739 bonds (distance) P-C4' energy: -93.277 flat angles C4'-P-C4' energy: -111.384 flat angles P-C4'-P energy: -82.592 tors. eta vs tors. theta energy: -109.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1408.422665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.422665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.422665 (E_RNA) where: Base-Base interactions energy: -914.532 where: short stacking energy: -418.799 Base-Backbone interact. energy: -1.800 local terms energy: -492.090429 where: bonds (distance) C4'-P energy: -97.282 bonds (distance) P-C4' energy: -101.233 flat angles C4'-P-C4' energy: -103.547 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -117.735 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: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1187.622567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.622567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.622567 (E_RNA) where: Base-Base interactions energy: -744.165 where: short stacking energy: -339.293 Base-Backbone interact. energy: -1.219 local terms energy: -442.238879 where: bonds (distance) C4'-P energy: -104.470 bonds (distance) P-C4' energy: -104.889 flat angles C4'-P-C4' energy: -106.886 flat angles P-C4'-P energy: -57.177 tors. eta vs tors. theta energy: -68.817 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: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -890.913480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.913480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.913480 (E_RNA) where: Base-Base interactions energy: -527.460 where: short stacking energy: -238.483 Base-Backbone interact. energy: -0.719 local terms energy: -362.734068 where: bonds (distance) C4'-P energy: -68.575 bonds (distance) P-C4' energy: -101.870 flat angles C4'-P-C4' energy: -97.673 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -39.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -909.583272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.583272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.583272 (E_RNA) where: Base-Base interactions energy: -505.157 where: short stacking energy: -254.054 Base-Backbone interact. energy: -0.955 local terms energy: -403.471239 where: bonds (distance) C4'-P energy: -82.506 bonds (distance) P-C4' energy: -104.262 flat angles C4'-P-C4' energy: -93.896 flat angles P-C4'-P energy: -74.261 tors. eta vs tors. theta energy: -48.546 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: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -681.081386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.081386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.081386 (E_RNA) where: Base-Base interactions energy: -329.624 where: short stacking energy: -193.952 Base-Backbone interact. energy: -1.184 local terms energy: -350.273690 where: bonds (distance) C4'-P energy: -95.429 bonds (distance) P-C4' energy: -85.373 flat angles C4'-P-C4' energy: -102.463 flat angles P-C4'-P energy: -51.077 tors. eta vs tors. theta energy: -15.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -536.979552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.979552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.979552 (E_RNA) where: Base-Base interactions energy: -244.670 where: short stacking energy: -118.186 Base-Backbone interact. energy: 3.519 local terms energy: -295.827726 where: bonds (distance) C4'-P energy: -95.057 bonds (distance) P-C4' energy: -93.746 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: 17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1822.650855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.650855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.650855 (E_RNA) where: Base-Base interactions energy: -1236.412 where: short stacking energy: -561.649 Base-Backbone interact. energy: 2.574 local terms energy: -588.812317 where: bonds (distance) C4'-P energy: -109.627 bonds (distance) P-C4' energy: -111.772 flat angles C4'-P-C4' energy: -132.067 flat angles P-C4'-P energy: -72.568 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: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1739.155055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.155055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.155055 (E_RNA) where: Base-Base interactions energy: -1151.901 where: short stacking energy: -525.567 Base-Backbone interact. energy: -1.810 local terms energy: -585.443597 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -113.643 flat angles C4'-P-C4' energy: -123.397 flat angles P-C4'-P energy: -85.964 tors. eta vs tors. theta energy: -153.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1537.393832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.393832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.393832 (E_RNA) where: Base-Base interactions energy: -1022.646 where: short stacking energy: -451.392 Base-Backbone interact. energy: -6.642 local terms energy: -508.105916 where: bonds (distance) C4'-P energy: -105.724 bonds (distance) P-C4' energy: -102.472 flat angles C4'-P-C4' energy: -120.339 flat angles P-C4'-P energy: -73.252 tors. eta vs tors. theta energy: -106.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1508.116674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.116674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.116674 (E_RNA) where: Base-Base interactions energy: -1016.322 where: short stacking energy: -447.318 Base-Backbone interact. energy: 0.029 local terms energy: -491.823280 where: bonds (distance) C4'-P energy: -90.289 bonds (distance) P-C4' energy: -104.259 flat angles C4'-P-C4' energy: -104.775 flat angles P-C4'-P energy: -74.870 tors. eta vs tors. theta energy: -117.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1382.528497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.528497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.528497 (E_RNA) where: Base-Base interactions energy: -926.127 where: short stacking energy: -440.396 Base-Backbone interact. energy: -3.313 local terms energy: -453.088338 where: bonds (distance) C4'-P energy: -85.113 bonds (distance) P-C4' energy: -99.658 flat angles C4'-P-C4' energy: -93.819 flat angles P-C4'-P energy: -57.857 tors. eta vs tors. theta energy: -116.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1158.340685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.340685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.340685 (E_RNA) where: Base-Base interactions energy: -733.862 where: short stacking energy: -331.905 Base-Backbone interact. energy: -1.741 local terms energy: -422.738403 where: bonds (distance) C4'-P energy: -99.508 bonds (distance) P-C4' energy: -95.975 flat angles C4'-P-C4' energy: -100.260 flat angles P-C4'-P energy: -56.072 tors. eta vs tors. theta energy: -70.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -904.095940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.095940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.095940 (E_RNA) where: Base-Base interactions energy: -556.105 where: short stacking energy: -289.244 Base-Backbone interact. energy: -1.345 local terms energy: -346.646071 where: bonds (distance) C4'-P energy: -79.077 bonds (distance) P-C4' energy: -77.076 flat angles C4'-P-C4' energy: -115.083 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -38.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -840.085470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.085470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.085470 (E_RNA) where: Base-Base interactions energy: -473.672 where: short stacking energy: -236.058 Base-Backbone interact. energy: -1.111 local terms energy: -365.303187 where: bonds (distance) C4'-P energy: -96.450 bonds (distance) P-C4' energy: -99.182 flat angles C4'-P-C4' energy: -82.170 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: -30.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -758.288537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.288537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.288537 (E_RNA) where: Base-Base interactions energy: -452.833 where: short stacking energy: -244.698 Base-Backbone interact. energy: -0.236 local terms energy: -305.220096 where: bonds (distance) C4'-P energy: -66.886 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -88.850 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -28.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -545.543746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.543746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.543746 (E_RNA) where: Base-Base interactions energy: -274.525 where: short stacking energy: -152.588 Base-Backbone interact. energy: 3.843 local terms energy: -274.861687 where: bonds (distance) C4'-P energy: -85.989 bonds (distance) P-C4' energy: -81.706 flat angles C4'-P-C4' energy: -77.808 flat angles P-C4'-P energy: -50.128 tors. eta vs tors. theta energy: 20.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1834.594556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.594556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.594556 (E_RNA) where: Base-Base interactions energy: -1247.190 where: short stacking energy: -565.360 Base-Backbone interact. energy: -1.151 local terms energy: -586.252847 where: bonds (distance) C4'-P energy: -110.208 bonds (distance) P-C4' energy: -105.085 flat angles C4'-P-C4' energy: -118.776 flat angles P-C4'-P energy: -92.776 tors. eta vs tors. theta energy: -159.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1715.064863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.064863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.064863 (E_RNA) where: Base-Base interactions energy: -1152.363 where: short stacking energy: -513.417 Base-Backbone interact. energy: -4.504 local terms energy: -558.198613 where: bonds (distance) C4'-P energy: -111.262 bonds (distance) P-C4' energy: -109.355 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -75.575 tors. eta vs tors. theta energy: -149.349 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: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1524.840265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.840265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.840265 (E_RNA) where: Base-Base interactions energy: -1008.073 where: short stacking energy: -440.717 Base-Backbone interact. energy: -0.357 local terms energy: -516.409854 where: bonds (distance) C4'-P energy: -106.276 bonds (distance) P-C4' energy: -97.846 flat angles C4'-P-C4' energy: -124.278 flat angles P-C4'-P energy: -74.362 tors. eta vs tors. theta energy: -113.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1555.951242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.951242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.951242 (E_RNA) where: Base-Base interactions energy: -1048.598 where: short stacking energy: -472.593 Base-Backbone interact. energy: -3.704 local terms energy: -503.648734 where: bonds (distance) C4'-P energy: -97.498 bonds (distance) P-C4' energy: -104.321 flat angles C4'-P-C4' energy: -110.070 flat angles P-C4'-P energy: -74.252 tors. eta vs tors. theta energy: -117.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1380.350639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.350639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.350639 (E_RNA) where: Base-Base interactions energy: -905.246 where: short stacking energy: -411.000 Base-Backbone interact. energy: -1.931 local terms energy: -473.173632 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -101.588 flat angles P-C4'-P energy: -65.765 tors. eta vs tors. theta energy: -103.818 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: 377 Temperature: 1.150000 Total energy: -1171.887836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.887836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.887836 (E_RNA) where: Base-Base interactions energy: -725.831 where: short stacking energy: -357.736 Base-Backbone interact. energy: 0.179 local terms energy: -446.235411 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -99.550 flat angles C4'-P-C4' energy: -100.798 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -85.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -923.605950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.605950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.605950 (E_RNA) where: Base-Base interactions energy: -563.124 where: short stacking energy: -266.172 Base-Backbone interact. energy: -1.728 local terms energy: -358.753498 where: bonds (distance) C4'-P energy: -85.411 bonds (distance) P-C4' energy: -90.225 flat angles C4'-P-C4' energy: -97.018 flat angles P-C4'-P energy: -61.578 tors. eta vs tors. theta energy: -24.521 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: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -766.712609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.712609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.712609 (E_RNA) where: Base-Base interactions energy: -438.143 where: short stacking energy: -237.513 Base-Backbone interact. energy: -2.313 local terms energy: -326.255906 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -91.767 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -49.394 tors. eta vs tors. theta energy: -32.113 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: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -753.894717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.894717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.894717 (E_RNA) where: Base-Base interactions energy: -444.907 where: short stacking energy: -209.418 Base-Backbone interact. energy: 3.529 local terms energy: -312.517248 where: bonds (distance) C4'-P energy: -100.106 bonds (distance) P-C4' energy: -80.745 flat angles C4'-P-C4' energy: -72.067 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -15.544 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: 377 Temperature: 1.350000 Total energy: -550.695266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.695266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.695266 (E_RNA) where: Base-Base interactions energy: -288.102 where: short stacking energy: -164.637 Base-Backbone interact. energy: 6.014 local terms energy: -268.607825 where: bonds (distance) C4'-P energy: -73.632 bonds (distance) P-C4' energy: -76.099 flat angles C4'-P-C4' energy: -75.265 flat angles P-C4'-P energy: -39.693 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1809.377300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.377300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.377300 (E_RNA) where: Base-Base interactions energy: -1215.167 where: short stacking energy: -534.288 Base-Backbone interact. energy: -0.683 local terms energy: -593.527751 where: bonds (distance) C4'-P energy: -105.326 bonds (distance) P-C4' energy: -112.010 flat angles C4'-P-C4' energy: -124.782 flat angles P-C4'-P energy: -85.151 tors. eta vs tors. theta energy: -166.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1732.267244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.267244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.267244 (E_RNA) where: Base-Base interactions energy: -1178.842 where: short stacking energy: -534.406 Base-Backbone interact. energy: -3.701 local terms energy: -549.724735 where: bonds (distance) C4'-P energy: -94.949 bonds (distance) P-C4' energy: -108.931 flat angles C4'-P-C4' energy: -123.717 flat angles P-C4'-P energy: -64.196 tors. eta vs tors. theta energy: -157.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1531.780103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.780103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.780103 (E_RNA) where: Base-Base interactions energy: -1033.125 where: short stacking energy: -431.085 Base-Backbone interact. energy: -2.252 local terms energy: -496.402918 where: bonds (distance) C4'-P energy: -114.305 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -120.939 flat angles P-C4'-P energy: -64.343 tors. eta vs tors. theta energy: -100.553 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: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1503.655333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.655333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.655333 (E_RNA) where: Base-Base interactions energy: -1001.727 where: short stacking energy: -469.223 Base-Backbone interact. energy: -0.707 local terms energy: -501.221433 where: bonds (distance) C4'-P energy: -91.781 bonds (distance) P-C4' energy: -97.668 flat angles C4'-P-C4' energy: -117.602 flat angles P-C4'-P energy: -70.066 tors. eta vs tors. theta energy: -124.104 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: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1370.636096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.636096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.636096 (E_RNA) where: Base-Base interactions energy: -890.572 where: short stacking energy: -394.931 Base-Backbone interact. energy: 4.354 local terms energy: -484.418651 where: bonds (distance) C4'-P energy: -98.066 bonds (distance) P-C4' energy: -106.719 flat angles C4'-P-C4' energy: -101.035 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -105.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1212.131370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.131370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.131370 (E_RNA) where: Base-Base interactions energy: -781.740 where: short stacking energy: -372.330 Base-Backbone interact. energy: 0.316 local terms energy: -430.707549 where: bonds (distance) C4'-P energy: -82.896 bonds (distance) P-C4' energy: -105.047 flat angles C4'-P-C4' energy: -99.863 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: -77.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -961.090767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.090767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.090767 (E_RNA) where: Base-Base interactions energy: -562.657 where: short stacking energy: -262.796 Base-Backbone interact. energy: -0.301 local terms energy: -398.132214 where: bonds (distance) C4'-P energy: -96.963 bonds (distance) P-C4' energy: -97.639 flat angles C4'-P-C4' energy: -96.357 flat angles P-C4'-P energy: -65.506 tors. eta vs tors. theta energy: -41.668 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: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -853.951955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.951955 (E_RNA) where: Base-Base interactions energy: -476.950 where: short stacking energy: -240.652 Base-Backbone interact. energy: -2.113 local terms energy: -374.889171 where: bonds (distance) C4'-P energy: -99.338 bonds (distance) P-C4' energy: -94.276 flat angles C4'-P-C4' energy: -92.039 flat angles P-C4'-P energy: -57.749 tors. eta vs tors. theta energy: -31.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -795.727454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.727454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.727454 (E_RNA) where: Base-Base interactions energy: -460.462 where: short stacking energy: -221.283 Base-Backbone interact. energy: 0.647 local terms energy: -335.913293 where: bonds (distance) C4'-P energy: -87.342 bonds (distance) P-C4' energy: -98.146 flat angles C4'-P-C4' energy: -68.749 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -26.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -534.362485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.362485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.362485 (E_RNA) where: Base-Base interactions energy: -250.713 where: short stacking energy: -129.784 Base-Backbone interact. energy: -0.159 local terms energy: -283.490786 where: bonds (distance) C4'-P energy: -84.768 bonds (distance) P-C4' energy: -88.000 flat angles C4'-P-C4' energy: -68.350 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: 20.050 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: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1785.383062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.383062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.383062 (E_RNA) where: Base-Base interactions energy: -1195.040 where: short stacking energy: -547.008 Base-Backbone interact. energy: 2.397 local terms energy: -592.739623 where: bonds (distance) C4'-P energy: -113.586 bonds (distance) P-C4' energy: -109.149 flat angles C4'-P-C4' energy: -126.852 flat angles P-C4'-P energy: -90.670 tors. eta vs tors. theta energy: -152.484 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: 379 Temperature: 0.950000 Total energy: -1683.362834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.362834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.362834 (E_RNA) where: Base-Base interactions energy: -1124.899 where: short stacking energy: -510.977 Base-Backbone interact. energy: -0.417 local terms energy: -558.047387 where: bonds (distance) C4'-P energy: -92.433 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -116.052 flat angles P-C4'-P energy: -81.342 tors. eta vs tors. theta energy: -149.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1548.106343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.106343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.106343 (E_RNA) where: Base-Base interactions energy: -1034.047 where: short stacking energy: -456.888 Base-Backbone interact. energy: -2.341 local terms energy: -511.718560 where: bonds (distance) C4'-P energy: -96.161 bonds (distance) P-C4' energy: -107.764 flat angles C4'-P-C4' energy: -105.675 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -118.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1524.537698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.537698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.537698 (E_RNA) where: Base-Base interactions energy: -1027.192 where: short stacking energy: -428.203 Base-Backbone interact. energy: -1.645 local terms energy: -495.700902 where: bonds (distance) C4'-P energy: -98.349 bonds (distance) P-C4' energy: -97.280 flat angles C4'-P-C4' energy: -116.002 flat angles P-C4'-P energy: -72.103 tors. eta vs tors. theta energy: -111.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1362.421259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.421259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.421259 (E_RNA) where: Base-Base interactions energy: -863.606 where: short stacking energy: -387.623 Base-Backbone interact. energy: -1.284 local terms energy: -497.531293 where: bonds (distance) C4'-P energy: -103.232 bonds (distance) P-C4' energy: -105.845 flat angles C4'-P-C4' energy: -107.987 flat angles P-C4'-P energy: -84.194 tors. eta vs tors. theta energy: -96.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1204.956780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.956780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.956780 (E_RNA) where: Base-Base interactions energy: -745.736 where: short stacking energy: -341.281 Base-Backbone interact. energy: -0.826 local terms energy: -458.394707 where: bonds (distance) C4'-P energy: -103.381 bonds (distance) P-C4' energy: -107.912 flat angles C4'-P-C4' energy: -104.226 flat angles P-C4'-P energy: -55.400 tors. eta vs tors. theta energy: -87.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -923.110417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.110417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.110417 (E_RNA) where: Base-Base interactions energy: -520.571 where: short stacking energy: -261.297 Base-Backbone interact. energy: -1.190 local terms energy: -401.349235 where: bonds (distance) C4'-P energy: -87.132 bonds (distance) P-C4' energy: -100.629 flat angles C4'-P-C4' energy: -99.070 flat angles P-C4'-P energy: -61.202 tors. eta vs tors. theta energy: -53.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -830.518829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.518829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.518829 (E_RNA) where: Base-Base interactions energy: -457.150 where: short stacking energy: -238.997 Base-Backbone interact. energy: -3.231 local terms energy: -370.138023 where: bonds (distance) C4'-P energy: -71.276 bonds (distance) P-C4' energy: -101.953 flat angles C4'-P-C4' energy: -89.575 flat angles P-C4'-P energy: -67.631 tors. eta vs tors. theta energy: -39.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -763.078024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.078024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.078024 (E_RNA) where: Base-Base interactions energy: -399.771 where: short stacking energy: -231.165 Base-Backbone interact. energy: -0.553 local terms energy: -362.754984 where: bonds (distance) C4'-P energy: -79.703 bonds (distance) P-C4' energy: -84.246 flat angles C4'-P-C4' energy: -94.814 flat angles P-C4'-P energy: -71.703 tors. eta vs tors. theta energy: -32.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -490.494679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.494679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.494679 (E_RNA) where: Base-Base interactions energy: -195.276 where: short stacking energy: -131.730 Base-Backbone interact. energy: 2.448 local terms energy: -297.666804 where: bonds (distance) C4'-P energy: -94.708 bonds (distance) P-C4' energy: -92.414 flat angles C4'-P-C4' energy: -90.793 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: 30.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1836.266583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.266583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.266583 (E_RNA) where: Base-Base interactions energy: -1254.522 where: short stacking energy: -553.388 Base-Backbone interact. energy: 1.705 local terms energy: -583.449098 where: bonds (distance) C4'-P energy: -109.561 bonds (distance) P-C4' energy: -120.638 flat angles C4'-P-C4' energy: -122.013 flat angles P-C4'-P energy: -77.685 tors. eta vs tors. theta energy: -153.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1700.829772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.829772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.829772 (E_RNA) where: Base-Base interactions energy: -1136.615 where: short stacking energy: -533.480 Base-Backbone interact. energy: -3.505 local terms energy: -560.710574 where: bonds (distance) C4'-P energy: -110.245 bonds (distance) P-C4' energy: -104.067 flat angles C4'-P-C4' energy: -126.354 flat angles P-C4'-P energy: -76.533 tors. eta vs tors. theta energy: -143.511 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: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1540.913476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.913476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.913476 (E_RNA) where: Base-Base interactions energy: -1034.698 where: short stacking energy: -438.458 Base-Backbone interact. energy: -2.307 local terms energy: -503.909024 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -110.117 flat angles C4'-P-C4' energy: -116.576 flat angles P-C4'-P energy: -70.795 tors. eta vs tors. theta energy: -114.621 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: 4, replica: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1551.929231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.929231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.929231 (E_RNA) where: Base-Base interactions energy: -1028.052 where: short stacking energy: -457.197 Base-Backbone interact. energy: -2.257 local terms energy: -521.619532 where: bonds (distance) C4'-P energy: -102.232 bonds (distance) P-C4' energy: -112.779 flat angles C4'-P-C4' energy: -114.946 flat angles P-C4'-P energy: -70.001 tors. eta vs tors. theta energy: -121.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1408.433709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.433709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.433709 (E_RNA) where: Base-Base interactions energy: -925.252 where: short stacking energy: -431.608 Base-Backbone interact. energy: -1.609 local terms energy: -481.572639 where: bonds (distance) C4'-P energy: -90.883 bonds (distance) P-C4' energy: -92.599 flat angles C4'-P-C4' energy: -118.510 flat angles P-C4'-P energy: -71.616 tors. eta vs tors. theta energy: -107.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1222.471862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.471862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.471862 (E_RNA) where: Base-Base interactions energy: -780.994 where: short stacking energy: -364.578 Base-Backbone interact. energy: -0.818 local terms energy: -440.659521 where: bonds (distance) C4'-P energy: -92.255 bonds (distance) P-C4' energy: -100.055 flat angles C4'-P-C4' energy: -105.587 flat angles P-C4'-P energy: -51.663 tors. eta vs tors. theta energy: -91.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -919.832247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.832247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.832247 (E_RNA) where: Base-Base interactions energy: -543.628 where: short stacking energy: -238.203 Base-Backbone interact. energy: 2.368 local terms energy: -378.571772 where: bonds (distance) C4'-P energy: -105.561 bonds (distance) P-C4' energy: -96.313 flat angles C4'-P-C4' energy: -88.901 flat angles P-C4'-P energy: -63.236 tors. eta vs tors. theta energy: -24.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -869.533929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.533929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.533929 (E_RNA) where: Base-Base interactions energy: -502.394 where: short stacking energy: -281.663 Base-Backbone interact. energy: 3.796 local terms energy: -370.935703 where: bonds (distance) C4'-P energy: -87.563 bonds (distance) P-C4' energy: -97.711 flat angles C4'-P-C4' energy: -99.913 flat angles P-C4'-P energy: -34.772 tors. eta vs tors. theta energy: -50.978 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: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -750.872299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.872299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.872299 (E_RNA) where: Base-Base interactions energy: -406.708 where: short stacking energy: -220.721 Base-Backbone interact. energy: -1.982 local terms energy: -342.181840 where: bonds (distance) C4'-P energy: -65.277 bonds (distance) P-C4' energy: -98.554 flat angles C4'-P-C4' energy: -85.996 flat angles P-C4'-P energy: -58.472 tors. eta vs tors. theta energy: -33.883 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: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -435.171891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.171891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.171891 (E_RNA) where: Base-Base interactions energy: -149.818 where: short stacking energy: -128.447 Base-Backbone interact. energy: 4.571 local terms energy: -289.925254 where: bonds (distance) C4'-P energy: -99.224 bonds (distance) P-C4' energy: -89.159 flat angles C4'-P-C4' energy: -76.940 flat angles P-C4'-P energy: -26.229 tors. eta vs tors. theta energy: 1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1809.286143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.286143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.286143 (E_RNA) where: Base-Base interactions energy: -1237.955 where: short stacking energy: -552.926 Base-Backbone interact. energy: -2.876 local terms energy: -568.455745 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -99.596 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -148.569 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: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1689.643073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.643073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.643073 (E_RNA) where: Base-Base interactions energy: -1150.742 where: short stacking energy: -509.412 Base-Backbone interact. energy: -2.503 local terms energy: -536.399019 where: bonds (distance) C4'-P energy: -102.326 bonds (distance) P-C4' energy: -101.140 flat angles C4'-P-C4' energy: -115.976 flat angles P-C4'-P energy: -71.545 tors. eta vs tors. theta energy: -145.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1534.588412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.588412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.588412 (E_RNA) where: Base-Base interactions energy: -1020.121 where: short stacking energy: -429.881 Base-Backbone interact. energy: 2.490 local terms energy: -516.957933 where: bonds (distance) C4'-P energy: -101.454 bonds (distance) P-C4' energy: -110.009 flat angles C4'-P-C4' energy: -107.377 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -124.675 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: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1577.921910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.921910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.921910 (E_RNA) where: Base-Base interactions energy: -1065.930 where: short stacking energy: -454.741 Base-Backbone interact. energy: -2.388 local terms energy: -509.604220 where: bonds (distance) C4'-P energy: -97.637 bonds (distance) P-C4' energy: -114.673 flat angles C4'-P-C4' energy: -108.237 flat angles P-C4'-P energy: -61.029 tors. eta vs tors. theta energy: -128.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1349.151740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.151740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.151740 (E_RNA) where: Base-Base interactions energy: -864.163 where: short stacking energy: -406.312 Base-Backbone interact. energy: -2.695 local terms energy: -482.293306 where: bonds (distance) C4'-P energy: -98.197 bonds (distance) P-C4' energy: -92.597 flat angles C4'-P-C4' energy: -114.585 flat angles P-C4'-P energy: -68.662 tors. eta vs tors. theta energy: -108.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1217.699701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.699701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.699701 (E_RNA) where: Base-Base interactions energy: -770.189 where: short stacking energy: -365.852 Base-Backbone interact. energy: -2.917 local terms energy: -444.593603 where: bonds (distance) C4'-P energy: -93.967 bonds (distance) P-C4' energy: -103.200 flat angles C4'-P-C4' energy: -96.002 flat angles P-C4'-P energy: -71.148 tors. eta vs tors. theta energy: -80.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -950.801037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.801037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.801037 (E_RNA) where: Base-Base interactions energy: -574.398 where: short stacking energy: -285.982 Base-Backbone interact. energy: 0.672 local terms energy: -377.074611 where: bonds (distance) C4'-P energy: -76.219 bonds (distance) P-C4' energy: -95.429 flat angles C4'-P-C4' energy: -92.495 flat angles P-C4'-P energy: -66.940 tors. eta vs tors. theta energy: -45.991 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: 381 Temperature: 1.250000 Total energy: -855.458438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.458438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.458438 (E_RNA) where: Base-Base interactions energy: -483.202 where: short stacking energy: -242.720 Base-Backbone interact. energy: -2.461 local terms energy: -369.795565 where: bonds (distance) C4'-P energy: -95.454 bonds (distance) P-C4' energy: -77.508 flat angles C4'-P-C4' energy: -112.454 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -37.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -761.580803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.580803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.580803 (E_RNA) where: Base-Base interactions energy: -418.321 where: short stacking energy: -203.120 Base-Backbone interact. energy: -3.319 local terms energy: -339.940870 where: bonds (distance) C4'-P energy: -69.553 bonds (distance) P-C4' energy: -95.902 flat angles C4'-P-C4' energy: -99.692 flat angles P-C4'-P energy: -50.752 tors. eta vs tors. theta energy: -24.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -421.735380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.735380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.735380 (E_RNA) where: Base-Base interactions energy: -154.511 where: short stacking energy: -140.080 Base-Backbone interact. energy: 2.162 local terms energy: -269.386068 where: bonds (distance) C4'-P energy: -61.464 bonds (distance) P-C4' energy: -99.010 flat angles C4'-P-C4' energy: -84.268 flat angles P-C4'-P energy: -34.359 tors. eta vs tors. theta energy: 9.715 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: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1812.044848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.044848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.044848 (E_RNA) where: Base-Base interactions energy: -1219.589 where: short stacking energy: -545.098 Base-Backbone interact. energy: 3.566 local terms energy: -596.022091 where: bonds (distance) C4'-P energy: -112.669 bonds (distance) P-C4' energy: -115.007 flat angles C4'-P-C4' energy: -126.167 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -163.020 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: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1693.904272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.904272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.904272 (E_RNA) where: Base-Base interactions energy: -1123.629 where: short stacking energy: -489.944 Base-Backbone interact. energy: -2.262 local terms energy: -568.013250 where: bonds (distance) C4'-P energy: -115.295 bonds (distance) P-C4' energy: -116.406 flat angles C4'-P-C4' energy: -122.727 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: -142.695 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: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1654.988505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.988505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.988505 (E_RNA) where: Base-Base interactions energy: -1129.992 where: short stacking energy: -509.153 Base-Backbone interact. energy: -5.078 local terms energy: -519.918585 where: bonds (distance) C4'-P energy: -75.755 bonds (distance) P-C4' energy: -94.413 flat angles C4'-P-C4' energy: -125.338 flat angles P-C4'-P energy: -81.729 tors. eta vs tors. theta energy: -142.683 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: 382 Temperature: 1.050000 Total energy: -1453.257808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.257808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.257808 (E_RNA) where: Base-Base interactions energy: -969.585 where: short stacking energy: -417.474 Base-Backbone interact. energy: -1.800 local terms energy: -481.873210 where: bonds (distance) C4'-P energy: -91.916 bonds (distance) P-C4' energy: -101.346 flat angles C4'-P-C4' energy: -118.315 flat angles P-C4'-P energy: -68.183 tors. eta vs tors. theta energy: -102.113 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: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1357.772101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.772101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.772101 (E_RNA) where: Base-Base interactions energy: -914.277 where: short stacking energy: -414.202 Base-Backbone interact. energy: -1.182 local terms energy: -442.313388 where: bonds (distance) C4'-P energy: -90.458 bonds (distance) P-C4' energy: -98.397 flat angles C4'-P-C4' energy: -99.733 flat angles P-C4'-P energy: -56.271 tors. eta vs tors. theta energy: -97.454 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: 382 Temperature: 1.150000 Total energy: -1234.650707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.650707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.650707 (E_RNA) where: Base-Base interactions energy: -765.698 where: short stacking energy: -342.863 Base-Backbone interact. energy: -1.853 local terms energy: -467.099894 where: bonds (distance) C4'-P energy: -92.926 bonds (distance) P-C4' energy: -111.829 flat angles C4'-P-C4' energy: -111.231 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: -85.815 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: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1004.351769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.351769 (E_RNA) where: Base-Base interactions energy: -596.618 where: short stacking energy: -281.998 Base-Backbone interact. energy: -2.004 local terms energy: -405.729635 where: bonds (distance) C4'-P energy: -93.715 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -97.959 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: -52.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -896.955491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.955491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.955491 (E_RNA) where: Base-Base interactions energy: -485.151 where: short stacking energy: -243.002 Base-Backbone interact. energy: 0.392 local terms energy: -412.196808 where: bonds (distance) C4'-P energy: -90.375 bonds (distance) P-C4' energy: -106.348 flat angles C4'-P-C4' energy: -104.922 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -47.256 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: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -801.455846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.455846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.455846 (E_RNA) where: Base-Base interactions energy: -514.499 where: short stacking energy: -227.622 Base-Backbone interact. energy: -1.228 local terms energy: -285.728469 where: bonds (distance) C4'-P energy: -82.899 bonds (distance) P-C4' energy: -80.078 flat angles C4'-P-C4' energy: -69.629 flat angles P-C4'-P energy: -37.561 tors. eta vs tors. theta energy: -15.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -410.451110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.451110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.451110 (E_RNA) where: Base-Base interactions energy: -145.539 where: short stacking energy: -113.164 Base-Backbone interact. energy: -1.950 local terms energy: -262.961979 where: bonds (distance) C4'-P energy: -104.900 bonds (distance) P-C4' energy: -83.208 flat angles C4'-P-C4' energy: -71.947 flat angles P-C4'-P energy: -23.655 tors. eta vs tors. theta energy: 20.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1823.842166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.842166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.842166 (E_RNA) where: Base-Base interactions energy: -1224.953 where: short stacking energy: -548.506 Base-Backbone interact. energy: 0.687 local terms energy: -599.576251 where: bonds (distance) C4'-P energy: -117.090 bonds (distance) P-C4' energy: -111.116 flat angles C4'-P-C4' energy: -127.214 flat angles P-C4'-P energy: -84.729 tors. eta vs tors. theta energy: -159.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1701.537251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.537251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.537251 (E_RNA) where: Base-Base interactions energy: -1152.737 where: short stacking energy: -531.230 Base-Backbone interact. energy: 0.581 local terms energy: -549.381504 where: bonds (distance) C4'-P energy: -93.725 bonds (distance) P-C4' energy: -101.810 flat angles C4'-P-C4' energy: -122.652 flat angles P-C4'-P energy: -77.395 tors. eta vs tors. theta energy: -153.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1632.725751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.725751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.725751 (E_RNA) where: Base-Base interactions energy: -1105.583 where: short stacking energy: -500.738 Base-Backbone interact. energy: -1.603 local terms energy: -525.539515 where: bonds (distance) C4'-P energy: -96.824 bonds (distance) P-C4' energy: -105.066 flat angles C4'-P-C4' energy: -126.559 flat angles P-C4'-P energy: -69.352 tors. eta vs tors. theta energy: -127.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1487.573228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.573228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.573228 (E_RNA) where: Base-Base interactions energy: -985.413 where: short stacking energy: -423.649 Base-Backbone interact. energy: -1.791 local terms energy: -500.370080 where: bonds (distance) C4'-P energy: -104.273 bonds (distance) P-C4' energy: -96.852 flat angles C4'-P-C4' energy: -109.419 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -109.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1379.615197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.615197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.615197 (E_RNA) where: Base-Base interactions energy: -905.881 where: short stacking energy: -416.534 Base-Backbone interact. energy: 0.698 local terms energy: -474.432338 where: bonds (distance) C4'-P energy: -106.487 bonds (distance) P-C4' energy: -86.955 flat angles C4'-P-C4' energy: -108.156 flat angles P-C4'-P energy: -60.652 tors. eta vs tors. theta energy: -112.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1238.281334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.281334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.281334 (E_RNA) where: Base-Base interactions energy: -802.794 where: short stacking energy: -373.692 Base-Backbone interact. energy: -1.838 local terms energy: -433.648707 where: bonds (distance) C4'-P energy: -88.278 bonds (distance) P-C4' energy: -85.617 flat angles C4'-P-C4' energy: -92.480 flat angles P-C4'-P energy: -69.482 tors. eta vs tors. theta energy: -97.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1028.863324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.863324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.863324 (E_RNA) where: Base-Base interactions energy: -644.008 where: short stacking energy: -310.796 Base-Backbone interact. energy: -2.297 local terms energy: -382.558238 where: bonds (distance) C4'-P energy: -78.694 bonds (distance) P-C4' energy: -90.003 flat angles C4'-P-C4' energy: -86.683 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: -56.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -852.639903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.639903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.639903 (E_RNA) where: Base-Base interactions energy: -489.891 where: short stacking energy: -276.707 Base-Backbone interact. energy: -3.626 local terms energy: -359.122882 where: bonds (distance) C4'-P energy: -80.961 bonds (distance) P-C4' energy: -94.919 flat angles C4'-P-C4' energy: -90.029 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -47.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -805.079837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.079837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.079837 (E_RNA) where: Base-Base interactions energy: -456.532 where: short stacking energy: -224.633 Base-Backbone interact. energy: -2.670 local terms energy: -345.877645 where: bonds (distance) C4'-P energy: -82.713 bonds (distance) P-C4' energy: -96.988 flat angles C4'-P-C4' energy: -91.829 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -30.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -415.954937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.954937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.954937 (E_RNA) where: Base-Base interactions energy: -140.317 where: short stacking energy: -111.835 Base-Backbone interact. energy: -1.089 local terms energy: -274.549418 where: bonds (distance) C4'-P energy: -90.217 bonds (distance) P-C4' energy: -82.613 flat angles C4'-P-C4' energy: -73.983 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: 17.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1829.700248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.700248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.700248 (E_RNA) where: Base-Base interactions energy: -1253.481 where: short stacking energy: -548.190 Base-Backbone interact. energy: 0.081 local terms energy: -576.300274 where: bonds (distance) C4'-P energy: -113.694 bonds (distance) P-C4' energy: -110.019 flat angles C4'-P-C4' energy: -117.471 flat angles P-C4'-P energy: -87.004 tors. eta vs tors. theta energy: -148.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1704.138313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.138313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.138313 (E_RNA) where: Base-Base interactions energy: -1133.188 where: short stacking energy: -517.736 Base-Backbone interact. energy: -2.814 local terms energy: -568.136424 where: bonds (distance) C4'-P energy: -95.590 bonds (distance) P-C4' energy: -117.325 flat angles C4'-P-C4' energy: -125.158 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -152.259 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: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1645.149004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.149004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.149004 (E_RNA) where: Base-Base interactions energy: -1121.582 where: short stacking energy: -473.773 Base-Backbone interact. energy: -3.895 local terms energy: -519.672696 where: bonds (distance) C4'-P energy: -94.519 bonds (distance) P-C4' energy: -103.073 flat angles C4'-P-C4' energy: -113.895 flat angles P-C4'-P energy: -77.600 tors. eta vs tors. theta energy: -130.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1505.022357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.022357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.022357 (E_RNA) where: Base-Base interactions energy: -989.455 where: short stacking energy: -427.359 Base-Backbone interact. energy: -1.260 local terms energy: -514.307743 where: bonds (distance) C4'-P energy: -100.574 bonds (distance) P-C4' energy: -105.884 flat angles C4'-P-C4' energy: -109.709 flat angles P-C4'-P energy: -79.675 tors. eta vs tors. theta energy: -118.465 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: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1375.149837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.149837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.149837 (E_RNA) where: Base-Base interactions energy: -879.024 where: short stacking energy: -397.108 Base-Backbone interact. energy: -3.449 local terms energy: -492.676564 where: bonds (distance) C4'-P energy: -98.625 bonds (distance) P-C4' energy: -83.252 flat angles C4'-P-C4' energy: -115.398 flat angles P-C4'-P energy: -78.759 tors. eta vs tors. theta energy: -116.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1243.744456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.744456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.744456 (E_RNA) where: Base-Base interactions energy: -777.106 where: short stacking energy: -372.028 Base-Backbone interact. energy: -2.390 local terms energy: -464.248818 where: bonds (distance) C4'-P energy: -96.840 bonds (distance) P-C4' energy: -96.302 flat angles C4'-P-C4' energy: -108.605 flat angles P-C4'-P energy: -64.340 tors. eta vs tors. theta energy: -98.163 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: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1017.435273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.435273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.435273 (E_RNA) where: Base-Base interactions energy: -617.229 where: short stacking energy: -302.945 Base-Backbone interact. energy: -2.011 local terms energy: -398.194814 where: bonds (distance) C4'-P energy: -92.768 bonds (distance) P-C4' energy: -93.037 flat angles C4'-P-C4' energy: -101.846 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -47.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -841.564828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.564828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.564828 (E_RNA) where: Base-Base interactions energy: -481.039 where: short stacking energy: -246.588 Base-Backbone interact. energy: 0.957 local terms energy: -361.483699 where: bonds (distance) C4'-P energy: -78.062 bonds (distance) P-C4' energy: -109.646 flat angles C4'-P-C4' energy: -92.757 flat angles P-C4'-P energy: -50.641 tors. eta vs tors. theta energy: -30.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -738.837987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.837987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.837987 (E_RNA) where: Base-Base interactions energy: -401.792 where: short stacking energy: -201.351 Base-Backbone interact. energy: -3.931 local terms energy: -333.115680 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -93.921 flat angles P-C4'-P energy: -53.656 tors. eta vs tors. theta energy: -6.635 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: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -410.247015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.247015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.247015 (E_RNA) where: Base-Base interactions energy: -144.112 where: short stacking energy: -125.096 Base-Backbone interact. energy: 8.468 local terms energy: -274.603067 where: bonds (distance) C4'-P energy: -94.460 bonds (distance) P-C4' energy: -93.820 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -44.749 tors. eta vs tors. theta energy: 35.738 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: 385 Temperature: 0.900000 Total energy: -1817.510284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.510284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.510284 (E_RNA) where: Base-Base interactions energy: -1244.269 where: short stacking energy: -550.651 Base-Backbone interact. energy: -2.396 local terms energy: -570.844504 where: bonds (distance) C4'-P energy: -105.737 bonds (distance) P-C4' energy: -107.172 flat angles C4'-P-C4' energy: -117.850 flat angles P-C4'-P energy: -85.542 tors. eta vs tors. theta energy: -154.544 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: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1688.398730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.398730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.398730 (E_RNA) where: Base-Base interactions energy: -1117.375 where: short stacking energy: -509.846 Base-Backbone interact. energy: -5.614 local terms energy: -565.409578 where: bonds (distance) C4'-P energy: -108.023 bonds (distance) P-C4' energy: -101.664 flat angles C4'-P-C4' energy: -120.404 flat angles P-C4'-P energy: -83.098 tors. eta vs tors. theta energy: -152.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1635.183550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.183550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.183550 (E_RNA) where: Base-Base interactions energy: -1096.837 where: short stacking energy: -488.697 Base-Backbone interact. energy: -4.140 local terms energy: -534.206993 where: bonds (distance) C4'-P energy: -107.826 bonds (distance) P-C4' energy: -103.187 flat angles C4'-P-C4' energy: -109.217 flat angles P-C4'-P energy: -76.193 tors. eta vs tors. theta energy: -137.783 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: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1525.830463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.830463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.830463 (E_RNA) where: Base-Base interactions energy: -1024.608 where: short stacking energy: -453.088 Base-Backbone interact. energy: 0.041 local terms energy: -501.263715 where: bonds (distance) C4'-P energy: -90.750 bonds (distance) P-C4' energy: -99.483 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -129.886 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: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1343.451406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.451406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.451406 (E_RNA) where: Base-Base interactions energy: -847.508 where: short stacking energy: -385.656 Base-Backbone interact. energy: -2.705 local terms energy: -493.238055 where: bonds (distance) C4'-P energy: -104.883 bonds (distance) P-C4' energy: -100.729 flat angles C4'-P-C4' energy: -109.895 flat angles P-C4'-P energy: -62.617 tors. eta vs tors. theta energy: -115.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1237.894289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.894289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.894289 (E_RNA) where: Base-Base interactions energy: -796.210 where: short stacking energy: -381.853 Base-Backbone interact. energy: -3.235 local terms energy: -438.448645 where: bonds (distance) C4'-P energy: -85.826 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -98.100 flat angles P-C4'-P energy: -60.452 tors. eta vs tors. theta energy: -87.521 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: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -978.129943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.129943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.129943 (E_RNA) where: Base-Base interactions energy: -578.621 where: short stacking energy: -276.565 Base-Backbone interact. energy: 3.877 local terms energy: -403.385234 where: bonds (distance) C4'-P energy: -98.736 bonds (distance) P-C4' energy: -105.047 flat angles C4'-P-C4' energy: -102.819 flat angles P-C4'-P energy: -57.780 tors. eta vs tors. theta energy: -39.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -814.209249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.209249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.209249 (E_RNA) where: Base-Base interactions energy: -473.364 where: short stacking energy: -254.850 Base-Backbone interact. energy: 1.077 local terms energy: -341.922178 where: bonds (distance) C4'-P energy: -103.504 bonds (distance) P-C4' energy: -76.826 flat angles C4'-P-C4' energy: -69.638 flat angles P-C4'-P energy: -56.521 tors. eta vs tors. theta energy: -35.433 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: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -796.511655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.511655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.511655 (E_RNA) where: Base-Base interactions energy: -466.857 where: short stacking energy: -223.848 Base-Backbone interact. energy: 2.928 local terms energy: -332.582639 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -100.328 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: -25.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -490.528782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.528782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.528782 (E_RNA) where: Base-Base interactions energy: -254.795 where: short stacking energy: -145.994 Base-Backbone interact. energy: 1.155 local terms energy: -236.888067 where: bonds (distance) C4'-P energy: -81.076 bonds (distance) P-C4' energy: -78.215 flat angles C4'-P-C4' energy: -70.534 flat angles P-C4'-P energy: -28.400 tors. eta vs tors. theta energy: 21.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1803.891830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.891830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.891830 (E_RNA) where: Base-Base interactions energy: -1221.162 where: short stacking energy: -531.622 Base-Backbone interact. energy: -2.667 local terms energy: -580.062571 where: bonds (distance) C4'-P energy: -108.265 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -126.342 flat angles P-C4'-P energy: -80.954 tors. eta vs tors. theta energy: -143.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1714.067173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.067173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.067173 (E_RNA) where: Base-Base interactions energy: -1152.484 where: short stacking energy: -528.219 Base-Backbone interact. energy: -3.523 local terms energy: -558.060291 where: bonds (distance) C4'-P energy: -105.707 bonds (distance) P-C4' energy: -108.632 flat angles C4'-P-C4' energy: -123.712 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -155.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1630.911058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.911058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.911058 (E_RNA) where: Base-Base interactions energy: -1078.993 where: short stacking energy: -473.786 Base-Backbone interact. energy: -5.497 local terms energy: -546.420516 where: bonds (distance) C4'-P energy: -100.260 bonds (distance) P-C4' energy: -117.912 flat angles C4'-P-C4' energy: -117.791 flat angles P-C4'-P energy: -76.364 tors. eta vs tors. theta energy: -134.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1458.620110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.620110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.620110 (E_RNA) where: Base-Base interactions energy: -954.024 where: short stacking energy: -418.792 Base-Backbone interact. energy: 1.349 local terms energy: -505.945366 where: bonds (distance) C4'-P energy: -107.950 bonds (distance) P-C4' energy: -101.732 flat angles C4'-P-C4' energy: -97.201 flat angles P-C4'-P energy: -89.282 tors. eta vs tors. theta energy: -109.781 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: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1357.291896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.291896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.291896 (E_RNA) where: Base-Base interactions energy: -872.474 where: short stacking energy: -412.278 Base-Backbone interact. energy: -2.883 local terms energy: -481.934913 where: bonds (distance) C4'-P energy: -88.585 bonds (distance) P-C4' energy: -110.584 flat angles C4'-P-C4' energy: -99.036 flat angles P-C4'-P energy: -71.995 tors. eta vs tors. theta energy: -111.735 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: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1207.249375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.249375 (E_RNA) where: Base-Base interactions energy: -759.147 where: short stacking energy: -364.696 Base-Backbone interact. energy: -3.438 local terms energy: -444.664313 where: bonds (distance) C4'-P energy: -81.841 bonds (distance) P-C4' energy: -104.069 flat angles C4'-P-C4' energy: -102.454 flat angles P-C4'-P energy: -67.652 tors. eta vs tors. theta energy: -88.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1008.381504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.381504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.381504 (E_RNA) where: Base-Base interactions energy: -607.524 where: short stacking energy: -280.602 Base-Backbone interact. energy: -0.983 local terms energy: -399.874484 where: bonds (distance) C4'-P energy: -97.058 bonds (distance) P-C4' energy: -93.028 flat angles C4'-P-C4' energy: -105.350 flat angles P-C4'-P energy: -56.698 tors. eta vs tors. theta energy: -47.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -811.488433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.488433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.488433 (E_RNA) where: Base-Base interactions energy: -437.459 where: short stacking energy: -235.168 Base-Backbone interact. energy: 0.322 local terms energy: -374.352268 where: bonds (distance) C4'-P energy: -94.184 bonds (distance) P-C4' energy: -102.635 flat angles C4'-P-C4' energy: -84.838 flat angles P-C4'-P energy: -57.260 tors. eta vs tors. theta energy: -35.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -780.970713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.970713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.970713 (E_RNA) where: Base-Base interactions energy: -426.916 where: short stacking energy: -221.515 Base-Backbone interact. energy: -2.718 local terms energy: -351.337142 where: bonds (distance) C4'-P energy: -93.998 bonds (distance) P-C4' energy: -103.253 flat angles C4'-P-C4' energy: -95.577 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: -9.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -487.693468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.693468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.693468 (E_RNA) where: Base-Base interactions energy: -189.562 where: short stacking energy: -127.759 Base-Backbone interact. energy: 0.946 local terms energy: -299.077227 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -99.833 flat angles C4'-P-C4' energy: -72.785 flat angles P-C4'-P energy: -40.957 tors. eta vs tors. theta energy: 11.648 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: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1813.209677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.209677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.209677 (E_RNA) where: Base-Base interactions energy: -1226.918 where: short stacking energy: -553.124 Base-Backbone interact. energy: -1.521 local terms energy: -584.770521 where: bonds (distance) C4'-P energy: -110.794 bonds (distance) P-C4' energy: -105.705 flat angles C4'-P-C4' energy: -127.418 flat angles P-C4'-P energy: -79.879 tors. eta vs tors. theta energy: -160.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1707.779337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.779337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.779337 (E_RNA) where: Base-Base interactions energy: -1160.588 where: short stacking energy: -532.850 Base-Backbone interact. energy: -3.007 local terms energy: -544.184283 where: bonds (distance) C4'-P energy: -89.290 bonds (distance) P-C4' energy: -105.768 flat angles C4'-P-C4' energy: -128.302 flat angles P-C4'-P energy: -77.948 tors. eta vs tors. theta energy: -142.877 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: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1620.089125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.089125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.089125 (E_RNA) where: Base-Base interactions energy: -1114.181 where: short stacking energy: -498.231 Base-Backbone interact. energy: -0.323 local terms energy: -505.585497 where: bonds (distance) C4'-P energy: -109.539 bonds (distance) P-C4' energy: -88.511 flat angles C4'-P-C4' energy: -105.639 flat angles P-C4'-P energy: -66.515 tors. eta vs tors. theta energy: -135.381 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: 387 Temperature: 1.050000 Total energy: -1495.998729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.998729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.998729 (E_RNA) where: Base-Base interactions energy: -1000.830 where: short stacking energy: -419.519 Base-Backbone interact. energy: -3.597 local terms energy: -491.571476 where: bonds (distance) C4'-P energy: -107.962 bonds (distance) P-C4' energy: -100.864 flat angles C4'-P-C4' energy: -101.599 flat angles P-C4'-P energy: -74.640 tors. eta vs tors. theta energy: -106.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1390.612124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.612124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.612124 (E_RNA) where: Base-Base interactions energy: -882.983 where: short stacking energy: -409.765 Base-Backbone interact. energy: -1.971 local terms energy: -505.658630 where: bonds (distance) C4'-P energy: -102.916 bonds (distance) P-C4' energy: -104.381 flat angles C4'-P-C4' energy: -111.370 flat angles P-C4'-P energy: -81.610 tors. eta vs tors. theta energy: -105.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1250.310954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.310954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.310954 (E_RNA) where: Base-Base interactions energy: -795.548 where: short stacking energy: -376.466 Base-Backbone interact. energy: 1.263 local terms energy: -456.026231 where: bonds (distance) C4'-P energy: -102.263 bonds (distance) P-C4' energy: -101.534 flat angles C4'-P-C4' energy: -104.349 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: -94.217 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: 387 Temperature: 1.200000 Total energy: -1008.941863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.941863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.941863 (E_RNA) where: Base-Base interactions energy: -610.221 where: short stacking energy: -288.138 Base-Backbone interact. energy: 0.684 local terms energy: -399.404673 where: bonds (distance) C4'-P energy: -97.129 bonds (distance) P-C4' energy: -101.460 flat angles C4'-P-C4' energy: -84.753 flat angles P-C4'-P energy: -56.018 tors. eta vs tors. theta energy: -60.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -807.888191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.888191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.888191 (E_RNA) where: Base-Base interactions energy: -456.401 where: short stacking energy: -206.894 Base-Backbone interact. energy: -2.400 local terms energy: -349.086803 where: bonds (distance) C4'-P energy: -100.600 bonds (distance) P-C4' energy: -94.660 flat angles C4'-P-C4' energy: -94.643 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -12.084 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: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -742.870892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.870892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.870892 (E_RNA) where: Base-Base interactions energy: -432.654 where: short stacking energy: -225.799 Base-Backbone interact. energy: 2.985 local terms energy: -313.201910 where: bonds (distance) C4'-P energy: -74.034 bonds (distance) P-C4' energy: -99.508 flat angles C4'-P-C4' energy: -83.645 flat angles P-C4'-P energy: -37.360 tors. eta vs tors. theta energy: -18.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -529.123135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.123135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.123135 (E_RNA) where: Base-Base interactions energy: -211.959 where: short stacking energy: -133.976 Base-Backbone interact. energy: 1.878 local terms energy: -319.042114 where: bonds (distance) C4'-P energy: -92.076 bonds (distance) P-C4' energy: -101.166 flat angles C4'-P-C4' energy: -74.899 flat angles P-C4'-P energy: -48.475 tors. eta vs tors. theta energy: -2.427 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: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1797.042078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.042078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.042078 (E_RNA) where: Base-Base interactions energy: -1187.958 where: short stacking energy: -536.196 Base-Backbone interact. energy: -1.049 local terms energy: -608.035059 where: bonds (distance) C4'-P energy: -114.796 bonds (distance) P-C4' energy: -121.695 flat angles C4'-P-C4' energy: -120.113 flat angles P-C4'-P energy: -81.288 tors. eta vs tors. theta energy: -170.142 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: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1692.729693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.729693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.729693 (E_RNA) where: Base-Base interactions energy: -1124.208 where: short stacking energy: -517.378 Base-Backbone interact. energy: -2.699 local terms energy: -565.822517 where: bonds (distance) C4'-P energy: -109.184 bonds (distance) P-C4' energy: -100.183 flat angles C4'-P-C4' energy: -128.234 flat angles P-C4'-P energy: -83.325 tors. eta vs tors. theta energy: -144.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1620.269029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.269029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.269029 (E_RNA) where: Base-Base interactions energy: -1089.427 where: short stacking energy: -496.893 Base-Backbone interact. energy: -4.948 local terms energy: -525.894248 where: bonds (distance) C4'-P energy: -103.641 bonds (distance) P-C4' energy: -92.341 flat angles C4'-P-C4' energy: -110.190 flat angles P-C4'-P energy: -88.668 tors. eta vs tors. theta energy: -131.055 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: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1485.008880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.008880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.008880 (E_RNA) where: Base-Base interactions energy: -997.564 where: short stacking energy: -417.816 Base-Backbone interact. energy: 0.059 local terms energy: -487.503943 where: bonds (distance) C4'-P energy: -96.966 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -109.382 flat angles P-C4'-P energy: -73.678 tors. eta vs tors. theta energy: -110.336 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: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1283.500775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.500775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.500775 (E_RNA) where: Base-Base interactions energy: -828.196 where: short stacking energy: -389.445 Base-Backbone interact. energy: -1.647 local terms energy: -453.658044 where: bonds (distance) C4'-P energy: -96.604 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -106.423 flat angles P-C4'-P energy: -58.144 tors. eta vs tors. theta energy: -100.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1299.284017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.284017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.284017 (E_RNA) where: Base-Base interactions energy: -844.962 where: short stacking energy: -393.708 Base-Backbone interact. energy: 5.499 local terms energy: -459.820971 where: bonds (distance) C4'-P energy: -79.840 bonds (distance) P-C4' energy: -106.225 flat angles C4'-P-C4' energy: -98.531 flat angles P-C4'-P energy: -70.782 tors. eta vs tors. theta energy: -104.442 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: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1035.910568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.910568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.910568 (E_RNA) where: Base-Base interactions energy: -611.091 where: short stacking energy: -286.828 Base-Backbone interact. energy: -3.126 local terms energy: -421.694302 where: bonds (distance) C4'-P energy: -93.360 bonds (distance) P-C4' energy: -102.257 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -55.318 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: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -798.976057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.976057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.976057 (E_RNA) where: Base-Base interactions energy: -495.457 where: short stacking energy: -242.989 Base-Backbone interact. energy: 1.311 local terms energy: -304.829233 where: bonds (distance) C4'-P energy: -87.035 bonds (distance) P-C4' energy: -70.981 flat angles C4'-P-C4' energy: -75.432 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -16.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -725.043814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.043814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.043814 (E_RNA) where: Base-Base interactions energy: -369.181 where: short stacking energy: -210.833 Base-Backbone interact. energy: -0.210 local terms energy: -355.652850 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -102.884 flat angles C4'-P-C4' energy: -70.095 flat angles P-C4'-P energy: -57.905 tors. eta vs tors. theta energy: -18.360 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: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -481.048339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.048339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.048339 (E_RNA) where: Base-Base interactions energy: -220.381 where: short stacking energy: -115.683 Base-Backbone interact. energy: -1.899 local terms energy: -258.768489 where: bonds (distance) C4'-P energy: -96.509 bonds (distance) P-C4' energy: -70.569 flat angles C4'-P-C4' energy: -75.552 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: 20.824 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: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1797.114598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.114598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.114598 (E_RNA) where: Base-Base interactions energy: -1220.564 where: short stacking energy: -549.753 Base-Backbone interact. energy: 0.841 local terms energy: -577.391287 where: bonds (distance) C4'-P energy: -109.550 bonds (distance) P-C4' energy: -101.857 flat angles C4'-P-C4' energy: -118.849 flat angles P-C4'-P energy: -100.068 tors. eta vs tors. theta energy: -147.067 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: 2, replica: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1671.873434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.873434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.873434 (E_RNA) where: Base-Base interactions energy: -1118.616 where: short stacking energy: -529.477 Base-Backbone interact. energy: -2.416 local terms energy: -550.840741 where: bonds (distance) C4'-P energy: -108.374 bonds (distance) P-C4' energy: -107.566 flat angles C4'-P-C4' energy: -120.610 flat angles P-C4'-P energy: -77.046 tors. eta vs tors. theta energy: -137.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1634.737136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.737136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.737136 (E_RNA) where: Base-Base interactions energy: -1099.867 where: short stacking energy: -492.418 Base-Backbone interact. energy: -4.086 local terms energy: -530.783305 where: bonds (distance) C4'-P energy: -107.430 bonds (distance) P-C4' energy: -98.030 flat angles C4'-P-C4' energy: -102.271 flat angles P-C4'-P energy: -82.508 tors. eta vs tors. theta energy: -140.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1500.028424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.028424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.028424 (E_RNA) where: Base-Base interactions energy: -1022.378 where: short stacking energy: -436.103 Base-Backbone interact. energy: -2.109 local terms energy: -475.542105 where: bonds (distance) C4'-P energy: -95.122 bonds (distance) P-C4' energy: -99.163 flat angles C4'-P-C4' energy: -113.105 flat angles P-C4'-P energy: -54.201 tors. eta vs tors. theta energy: -113.951 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: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1291.454924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.454924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.454924 (E_RNA) where: Base-Base interactions energy: -812.741 where: short stacking energy: -400.547 Base-Backbone interact. energy: -1.486 local terms energy: -477.227649 where: bonds (distance) C4'-P energy: -96.814 bonds (distance) P-C4' energy: -108.108 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -67.586 tors. eta vs tors. theta energy: -106.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1283.777349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.777349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.777349 (E_RNA) where: Base-Base interactions energy: -841.227 where: short stacking energy: -362.598 Base-Backbone interact. energy: 0.760 local terms energy: -443.310249 where: bonds (distance) C4'-P energy: -94.903 bonds (distance) P-C4' energy: -93.314 flat angles C4'-P-C4' energy: -83.505 flat angles P-C4'-P energy: -73.261 tors. eta vs tors. theta energy: -98.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1040.567383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.567383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.567383 (E_RNA) where: Base-Base interactions energy: -627.634 where: short stacking energy: -293.982 Base-Backbone interact. energy: -3.464 local terms energy: -409.469465 where: bonds (distance) C4'-P energy: -80.619 bonds (distance) P-C4' energy: -98.605 flat angles C4'-P-C4' energy: -104.709 flat angles P-C4'-P energy: -58.924 tors. eta vs tors. theta energy: -66.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -838.930651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.930651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.930651 (E_RNA) where: Base-Base interactions energy: -503.923 where: short stacking energy: -240.130 Base-Backbone interact. energy: -1.990 local terms energy: -333.018126 where: bonds (distance) C4'-P energy: -95.600 bonds (distance) P-C4' energy: -92.482 flat angles C4'-P-C4' energy: -72.960 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -21.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -747.720251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.720251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.720251 (E_RNA) where: Base-Base interactions energy: -435.651 where: short stacking energy: -233.189 Base-Backbone interact. energy: 0.099 local terms energy: -312.168329 where: bonds (distance) C4'-P energy: -71.782 bonds (distance) P-C4' energy: -88.676 flat angles C4'-P-C4' energy: -89.198 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -28.011 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: 389 Temperature: 1.350000 Total energy: -489.963806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.963806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.963806 (E_RNA) where: Base-Base interactions energy: -221.345 where: short stacking energy: -133.767 Base-Backbone interact. energy: -1.362 local terms energy: -267.257431 where: bonds (distance) C4'-P energy: -85.068 bonds (distance) P-C4' energy: -91.207 flat angles C4'-P-C4' energy: -76.474 flat angles P-C4'-P energy: -36.387 tors. eta vs tors. theta energy: 21.879 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: 390 Temperature: 0.900000 Total energy: -1784.942416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.942416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.942416 (E_RNA) where: Base-Base interactions energy: -1207.479 where: short stacking energy: -556.455 Base-Backbone interact. energy: -1.677 local terms energy: -575.787107 where: bonds (distance) C4'-P energy: -98.295 bonds (distance) P-C4' energy: -108.397 flat angles C4'-P-C4' energy: -125.193 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -155.804 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: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1663.732723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.732723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.732723 (E_RNA) where: Base-Base interactions energy: -1115.487 where: short stacking energy: -502.387 Base-Backbone interact. energy: -1.525 local terms energy: -546.721274 where: bonds (distance) C4'-P energy: -112.817 bonds (distance) P-C4' energy: -109.402 flat angles C4'-P-C4' energy: -123.686 flat angles P-C4'-P energy: -74.781 tors. eta vs tors. theta energy: -126.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1603.385749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.385749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.385749 (E_RNA) where: Base-Base interactions energy: -1073.462 where: short stacking energy: -445.997 Base-Backbone interact. energy: -2.758 local terms energy: -527.165353 where: bonds (distance) C4'-P energy: -112.315 bonds (distance) P-C4' energy: -108.076 flat angles C4'-P-C4' energy: -108.721 flat angles P-C4'-P energy: -73.279 tors. eta vs tors. theta energy: -124.774 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: 390 Temperature: 1.050000 Total energy: -1464.948102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.948102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.948102 (E_RNA) where: Base-Base interactions energy: -982.593 where: short stacking energy: -424.363 Base-Backbone interact. energy: -2.323 local terms energy: -480.032725 where: bonds (distance) C4'-P energy: -93.093 bonds (distance) P-C4' energy: -104.261 flat angles C4'-P-C4' energy: -115.747 flat angles P-C4'-P energy: -68.979 tors. eta vs tors. theta energy: -97.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1330.113424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.113424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.113424 (E_RNA) where: Base-Base interactions energy: -856.038 where: short stacking energy: -413.857 Base-Backbone interact. energy: -1.685 local terms energy: -472.389981 where: bonds (distance) C4'-P energy: -85.564 bonds (distance) P-C4' energy: -106.140 flat angles C4'-P-C4' energy: -108.982 flat angles P-C4'-P energy: -63.268 tors. eta vs tors. theta energy: -108.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1258.887628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.887628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.887628 (E_RNA) where: Base-Base interactions energy: -788.575 where: short stacking energy: -367.285 Base-Backbone interact. energy: -0.832 local terms energy: -469.480155 where: bonds (distance) C4'-P energy: -103.469 bonds (distance) P-C4' energy: -104.933 flat angles C4'-P-C4' energy: -109.847 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: -88.585 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: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1067.879237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.879237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.879237 (E_RNA) where: Base-Base interactions energy: -650.611 where: short stacking energy: -317.440 Base-Backbone interact. energy: -0.027 local terms energy: -417.241936 where: bonds (distance) C4'-P energy: -98.154 bonds (distance) P-C4' energy: -88.614 flat angles C4'-P-C4' energy: -98.301 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -65.223 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: 8, replica: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -852.556968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.556968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.556968 (E_RNA) where: Base-Base interactions energy: -486.527 where: short stacking energy: -237.271 Base-Backbone interact. energy: -1.687 local terms energy: -364.343443 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -106.533 flat angles C4'-P-C4' energy: -85.837 flat angles P-C4'-P energy: -61.483 tors. eta vs tors. theta energy: -23.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -746.228113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.228113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.228113 (E_RNA) where: Base-Base interactions energy: -407.969 where: short stacking energy: -219.108 Base-Backbone interact. energy: -3.321 local terms energy: -334.938779 where: bonds (distance) C4'-P energy: -86.068 bonds (distance) P-C4' energy: -112.715 flat angles C4'-P-C4' energy: -59.474 flat angles P-C4'-P energy: -51.438 tors. eta vs tors. theta energy: -25.244 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: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -468.552567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.552567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.552567 (E_RNA) where: Base-Base interactions energy: -186.568 where: short stacking energy: -117.135 Base-Backbone interact. energy: 2.844 local terms energy: -284.828482 where: bonds (distance) C4'-P energy: -80.051 bonds (distance) P-C4' energy: -103.452 flat angles C4'-P-C4' energy: -75.201 flat angles P-C4'-P energy: -48.571 tors. eta vs tors. theta energy: 22.446 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: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1790.098878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.098878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.098878 (E_RNA) where: Base-Base interactions energy: -1198.537 where: short stacking energy: -538.594 Base-Backbone interact. energy: -3.964 local terms energy: -587.598198 where: bonds (distance) C4'-P energy: -112.575 bonds (distance) P-C4' energy: -116.115 flat angles C4'-P-C4' energy: -125.613 flat angles P-C4'-P energy: -80.245 tors. eta vs tors. theta energy: -153.050 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: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1661.613887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.613887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.613887 (E_RNA) where: Base-Base interactions energy: -1122.749 where: short stacking energy: -494.941 Base-Backbone interact. energy: -1.673 local terms energy: -537.191131 where: bonds (distance) C4'-P energy: -93.693 bonds (distance) P-C4' energy: -104.336 flat angles C4'-P-C4' energy: -114.532 flat angles P-C4'-P energy: -82.829 tors. eta vs tors. theta energy: -141.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1619.031269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.031269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.031269 (E_RNA) where: Base-Base interactions energy: -1094.108 where: short stacking energy: -457.673 Base-Backbone interact. energy: -2.011 local terms energy: -522.912326 where: bonds (distance) C4'-P energy: -99.959 bonds (distance) P-C4' energy: -97.660 flat angles C4'-P-C4' energy: -122.644 flat angles P-C4'-P energy: -74.864 tors. eta vs tors. theta energy: -127.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1482.016035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.016035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.016035 (E_RNA) where: Base-Base interactions energy: -973.341 where: short stacking energy: -437.454 Base-Backbone interact. energy: -4.511 local terms energy: -504.164801 where: bonds (distance) C4'-P energy: -97.275 bonds (distance) P-C4' energy: -108.827 flat angles C4'-P-C4' energy: -113.268 flat angles P-C4'-P energy: -72.259 tors. eta vs tors. theta energy: -112.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1322.143432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.143432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.143432 (E_RNA) where: Base-Base interactions energy: -840.851 where: short stacking energy: -413.420 Base-Backbone interact. energy: 0.880 local terms energy: -482.171871 where: bonds (distance) C4'-P energy: -84.641 bonds (distance) P-C4' energy: -105.226 flat angles C4'-P-C4' energy: -104.454 flat angles P-C4'-P energy: -82.971 tors. eta vs tors. theta energy: -104.880 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: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1184.844961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.844961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.844961 (E_RNA) where: Base-Base interactions energy: -746.224 where: short stacking energy: -356.351 Base-Backbone interact. energy: -1.438 local terms energy: -437.183398 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -94.662 flat angles C4'-P-C4' energy: -104.100 flat angles P-C4'-P energy: -60.613 tors. eta vs tors. theta energy: -88.683 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: 391 Temperature: 1.200000 Total energy: -1030.773563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.773563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.773563 (E_RNA) where: Base-Base interactions energy: -627.798 where: short stacking energy: -296.266 Base-Backbone interact. energy: 7.599 local terms energy: -410.574582 where: bonds (distance) C4'-P energy: -96.175 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -101.409 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -72.996 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: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -835.606145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.606145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.606145 (E_RNA) where: Base-Base interactions energy: -489.504 where: short stacking energy: -247.852 Base-Backbone interact. energy: -1.091 local terms energy: -345.010752 where: bonds (distance) C4'-P energy: -74.703 bonds (distance) P-C4' energy: -98.297 flat angles C4'-P-C4' energy: -84.677 flat angles P-C4'-P energy: -69.575 tors. eta vs tors. theta energy: -17.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -675.208015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.208015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.208015 (E_RNA) where: Base-Base interactions energy: -356.767 where: short stacking energy: -210.690 Base-Backbone interact. energy: 2.215 local terms energy: -320.655869 where: bonds (distance) C4'-P energy: -79.863 bonds (distance) P-C4' energy: -79.944 flat angles C4'-P-C4' energy: -98.201 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -549.382873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.382873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.382873 (E_RNA) where: Base-Base interactions energy: -247.340 where: short stacking energy: -166.728 Base-Backbone interact. energy: 0.061 local terms energy: -302.103877 where: bonds (distance) C4'-P energy: -86.521 bonds (distance) P-C4' energy: -70.803 flat angles C4'-P-C4' energy: -83.927 flat angles P-C4'-P energy: -48.634 tors. eta vs tors. theta energy: -12.220 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: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1828.750078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.750078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.750078 (E_RNA) where: Base-Base interactions energy: -1234.334 where: short stacking energy: -560.071 Base-Backbone interact. energy: -0.348 local terms energy: -594.068281 where: bonds (distance) C4'-P energy: -111.301 bonds (distance) P-C4' energy: -115.472 flat angles C4'-P-C4' energy: -119.103 flat angles P-C4'-P energy: -85.130 tors. eta vs tors. theta energy: -163.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1684.444462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.444462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.444462 (E_RNA) where: Base-Base interactions energy: -1143.998 where: short stacking energy: -525.023 Base-Backbone interact. energy: -1.253 local terms energy: -539.193309 where: bonds (distance) C4'-P energy: -99.467 bonds (distance) P-C4' energy: -111.852 flat angles C4'-P-C4' energy: -117.023 flat angles P-C4'-P energy: -70.111 tors. eta vs tors. theta energy: -140.741 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: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1626.544875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.544875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.544875 (E_RNA) where: Base-Base interactions energy: -1073.012 where: short stacking energy: -480.102 Base-Backbone interact. energy: -2.253 local terms energy: -551.280117 where: bonds (distance) C4'-P energy: -105.594 bonds (distance) P-C4' energy: -111.742 flat angles C4'-P-C4' energy: -119.484 flat angles P-C4'-P energy: -74.090 tors. eta vs tors. theta energy: -140.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1459.189346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.189346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.189346 (E_RNA) where: Base-Base interactions energy: -976.647 where: short stacking energy: -435.627 Base-Backbone interact. energy: 5.162 local terms energy: -487.704545 where: bonds (distance) C4'-P energy: -98.901 bonds (distance) P-C4' energy: -91.842 flat angles C4'-P-C4' energy: -109.597 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -98.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1309.695891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.695891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.695891 (E_RNA) where: Base-Base interactions energy: -813.858 where: short stacking energy: -379.121 Base-Backbone interact. energy: -1.194 local terms energy: -494.643993 where: bonds (distance) C4'-P energy: -97.917 bonds (distance) P-C4' energy: -104.627 flat angles C4'-P-C4' energy: -120.025 flat angles P-C4'-P energy: -70.943 tors. eta vs tors. theta energy: -101.132 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: 6, replica: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1259.381456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.381456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.381456 (E_RNA) where: Base-Base interactions energy: -814.071 where: short stacking energy: -393.955 Base-Backbone interact. energy: -2.042 local terms energy: -443.269202 where: bonds (distance) C4'-P energy: -85.273 bonds (distance) P-C4' energy: -87.952 flat angles C4'-P-C4' energy: -105.439 flat angles P-C4'-P energy: -66.242 tors. eta vs tors. theta energy: -98.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1020.329607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.329607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.329607 (E_RNA) where: Base-Base interactions energy: -641.527 where: short stacking energy: -278.831 Base-Backbone interact. energy: 2.437 local terms energy: -381.239286 where: bonds (distance) C4'-P energy: -104.097 bonds (distance) P-C4' energy: -93.605 flat angles C4'-P-C4' energy: -92.587 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -39.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -847.864832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.864832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.864832 (E_RNA) where: Base-Base interactions energy: -484.142 where: short stacking energy: -235.903 Base-Backbone interact. energy: -0.452 local terms energy: -363.271350 where: bonds (distance) C4'-P energy: -93.526 bonds (distance) P-C4' energy: -113.925 flat angles C4'-P-C4' energy: -76.453 flat angles P-C4'-P energy: -52.426 tors. eta vs tors. theta energy: -26.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -643.051423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.051423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.051423 (E_RNA) where: Base-Base interactions energy: -337.024 where: short stacking energy: -186.325 Base-Backbone interact. energy: 1.052 local terms energy: -307.079393 where: bonds (distance) C4'-P energy: -101.756 bonds (distance) P-C4' energy: -83.677 flat angles C4'-P-C4' energy: -59.576 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -12.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -578.669850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.669850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.669850 (E_RNA) where: Base-Base interactions energy: -268.528 where: short stacking energy: -154.480 Base-Backbone interact. energy: 1.629 local terms energy: -311.770804 where: bonds (distance) C4'-P energy: -100.974 bonds (distance) P-C4' energy: -107.880 flat angles C4'-P-C4' energy: -85.816 flat angles P-C4'-P energy: -36.187 tors. eta vs tors. theta energy: 19.086 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: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1835.724275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.724275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.724275 (E_RNA) where: Base-Base interactions energy: -1246.910 where: short stacking energy: -570.835 Base-Backbone interact. energy: -1.898 local terms energy: -586.916194 where: bonds (distance) C4'-P energy: -98.011 bonds (distance) P-C4' energy: -107.033 flat angles C4'-P-C4' energy: -121.758 flat angles P-C4'-P energy: -90.449 tors. eta vs tors. theta energy: -169.665 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: 393 Temperature: 0.950000 Total energy: -1670.976400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.976400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.976400 (E_RNA) where: Base-Base interactions energy: -1115.210 where: short stacking energy: -512.054 Base-Backbone interact. energy: -1.733 local terms energy: -554.034095 where: bonds (distance) C4'-P energy: -111.224 bonds (distance) P-C4' energy: -112.763 flat angles C4'-P-C4' energy: -113.194 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -136.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1602.473933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.473933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.473933 (E_RNA) where: Base-Base interactions energy: -1082.790 where: short stacking energy: -503.979 Base-Backbone interact. energy: -3.541 local terms energy: -516.142083 where: bonds (distance) C4'-P energy: -103.373 bonds (distance) P-C4' energy: -100.254 flat angles C4'-P-C4' energy: -112.002 flat angles P-C4'-P energy: -69.722 tors. eta vs tors. theta energy: -130.791 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: 393 Temperature: 1.050000 Total energy: -1496.468450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.468450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.468450 (E_RNA) where: Base-Base interactions energy: -985.097 where: short stacking energy: -447.953 Base-Backbone interact. energy: -0.050 local terms energy: -511.321760 where: bonds (distance) C4'-P energy: -93.155 bonds (distance) P-C4' energy: -112.321 flat angles C4'-P-C4' energy: -99.578 flat angles P-C4'-P energy: -80.917 tors. eta vs tors. theta energy: -125.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1324.800428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.800428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.800428 (E_RNA) where: Base-Base interactions energy: -843.128 where: short stacking energy: -395.759 Base-Backbone interact. energy: -1.057 local terms energy: -480.614944 where: bonds (distance) C4'-P energy: -101.891 bonds (distance) P-C4' energy: -105.093 flat angles C4'-P-C4' energy: -96.323 flat angles P-C4'-P energy: -69.309 tors. eta vs tors. theta energy: -108.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1226.907921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.907921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.907921 (E_RNA) where: Base-Base interactions energy: -774.761 where: short stacking energy: -367.352 Base-Backbone interact. energy: -2.583 local terms energy: -449.563731 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -97.023 flat angles C4'-P-C4' energy: -109.085 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -90.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1039.109640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.109640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.109640 (E_RNA) where: Base-Base interactions energy: -634.463 where: short stacking energy: -309.198 Base-Backbone interact. energy: -1.218 local terms energy: -403.428126 where: bonds (distance) C4'-P energy: -72.571 bonds (distance) P-C4' energy: -108.886 flat angles C4'-P-C4' energy: -88.615 flat angles P-C4'-P energy: -77.890 tors. eta vs tors. theta energy: -55.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -853.119256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.119256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.119256 (E_RNA) where: Base-Base interactions energy: -484.628 where: short stacking energy: -231.592 Base-Backbone interact. energy: 5.350 local terms energy: -373.840505 where: bonds (distance) C4'-P energy: -104.746 bonds (distance) P-C4' energy: -97.674 flat angles C4'-P-C4' energy: -95.658 flat angles P-C4'-P energy: -55.026 tors. eta vs tors. theta energy: -20.737 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: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -611.664760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.664760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.664760 (E_RNA) where: Base-Base interactions energy: -308.813 where: short stacking energy: -166.717 Base-Backbone interact. energy: 1.974 local terms energy: -304.826087 where: bonds (distance) C4'-P energy: -81.549 bonds (distance) P-C4' energy: -95.772 flat angles C4'-P-C4' energy: -89.524 flat angles P-C4'-P energy: -31.878 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -556.679981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.679981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.679981 (E_RNA) where: Base-Base interactions energy: -252.058 where: short stacking energy: -141.800 Base-Backbone interact. energy: -1.094 local terms energy: -303.527631 where: bonds (distance) C4'-P energy: -87.465 bonds (distance) P-C4' energy: -84.772 flat angles C4'-P-C4' energy: -74.301 flat angles P-C4'-P energy: -60.482 tors. eta vs tors. theta energy: 3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1843.020388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.020388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.020388 (E_RNA) where: Base-Base interactions energy: -1260.380 where: short stacking energy: -576.600 Base-Backbone interact. energy: -2.761 local terms energy: -579.879596 where: bonds (distance) C4'-P energy: -101.240 bonds (distance) P-C4' energy: -105.299 flat angles C4'-P-C4' energy: -132.431 flat angles P-C4'-P energy: -79.068 tors. eta vs tors. theta energy: -161.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1673.942995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.942995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.942995 (E_RNA) where: Base-Base interactions energy: -1110.456 where: short stacking energy: -507.370 Base-Backbone interact. energy: -3.049 local terms energy: -560.438156 where: bonds (distance) C4'-P energy: -102.813 bonds (distance) P-C4' energy: -115.900 flat angles C4'-P-C4' energy: -111.714 flat angles P-C4'-P energy: -88.722 tors. eta vs tors. theta energy: -141.290 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: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1609.462546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.462546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.462546 (E_RNA) where: Base-Base interactions energy: -1081.659 where: short stacking energy: -496.478 Base-Backbone interact. energy: 0.158 local terms energy: -527.961354 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -89.939 flat angles C4'-P-C4' energy: -124.682 flat angles P-C4'-P energy: -75.890 tors. eta vs tors. theta energy: -137.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1459.404978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.404978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.404978 (E_RNA) where: Base-Base interactions energy: -970.354 where: short stacking energy: -431.276 Base-Backbone interact. energy: -3.343 local terms energy: -485.707179 where: bonds (distance) C4'-P energy: -104.996 bonds (distance) P-C4' energy: -100.720 flat angles C4'-P-C4' energy: -109.641 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: -110.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1336.880776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.880776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.880776 (E_RNA) where: Base-Base interactions energy: -865.818 where: short stacking energy: -399.272 Base-Backbone interact. energy: -1.588 local terms energy: -469.474315 where: bonds (distance) C4'-P energy: -97.361 bonds (distance) P-C4' energy: -101.633 flat angles C4'-P-C4' energy: -105.396 flat angles P-C4'-P energy: -66.868 tors. eta vs tors. theta energy: -98.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1285.415990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.415990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.415990 (E_RNA) where: Base-Base interactions energy: -833.408 where: short stacking energy: -362.360 Base-Backbone interact. energy: -0.952 local terms energy: -451.056595 where: bonds (distance) C4'-P energy: -99.454 bonds (distance) P-C4' energy: -95.067 flat angles C4'-P-C4' energy: -96.547 flat angles P-C4'-P energy: -78.535 tors. eta vs tors. theta energy: -81.454 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: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1059.463889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.463889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.463889 (E_RNA) where: Base-Base interactions energy: -650.746 where: short stacking energy: -292.492 Base-Backbone interact. energy: -0.938 local terms energy: -407.779649 where: bonds (distance) C4'-P energy: -100.777 bonds (distance) P-C4' energy: -98.099 flat angles C4'-P-C4' energy: -88.939 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -47.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -845.405373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.405373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.405373 (E_RNA) where: Base-Base interactions energy: -472.322 where: short stacking energy: -256.885 Base-Backbone interact. energy: 4.245 local terms energy: -377.328868 where: bonds (distance) C4'-P energy: -88.617 bonds (distance) P-C4' energy: -98.290 flat angles C4'-P-C4' energy: -94.982 flat angles P-C4'-P energy: -53.518 tors. eta vs tors. theta energy: -41.922 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: 394 Temperature: 1.300000 Total energy: -660.185461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.185461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.185461 (E_RNA) where: Base-Base interactions energy: -386.417 where: short stacking energy: -229.600 Base-Backbone interact. energy: 6.446 local terms energy: -280.214991 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -70.807 flat angles P-C4'-P energy: -51.766 tors. eta vs tors. theta energy: -18.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -565.646920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.646920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.646920 (E_RNA) where: Base-Base interactions energy: -279.731 where: short stacking energy: -178.319 Base-Backbone interact. energy: -0.894 local terms energy: -285.022124 where: bonds (distance) C4'-P energy: -82.881 bonds (distance) P-C4' energy: -99.145 flat angles C4'-P-C4' energy: -50.835 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1835.343706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.343706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.343706 (E_RNA) where: Base-Base interactions energy: -1229.352 where: short stacking energy: -542.797 Base-Backbone interact. energy: -1.617 local terms energy: -604.374149 where: bonds (distance) C4'-P energy: -113.874 bonds (distance) P-C4' energy: -113.857 flat angles C4'-P-C4' energy: -130.409 flat angles P-C4'-P energy: -93.593 tors. eta vs tors. theta energy: -152.641 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: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1682.312422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.312422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.312422 (E_RNA) where: Base-Base interactions energy: -1125.772 where: short stacking energy: -519.597 Base-Backbone interact. energy: 0.621 local terms energy: -557.161160 where: bonds (distance) C4'-P energy: -113.982 bonds (distance) P-C4' energy: -107.923 flat angles C4'-P-C4' energy: -118.687 flat angles P-C4'-P energy: -74.198 tors. eta vs tors. theta energy: -142.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1618.551899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.551899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.551899 (E_RNA) where: Base-Base interactions energy: -1074.299 where: short stacking energy: -471.722 Base-Backbone interact. energy: -3.453 local terms energy: -540.800470 where: bonds (distance) C4'-P energy: -117.944 bonds (distance) P-C4' energy: -109.719 flat angles C4'-P-C4' energy: -100.826 flat angles P-C4'-P energy: -85.966 tors. eta vs tors. theta energy: -126.346 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: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1507.887143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.887143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.887143 (E_RNA) where: Base-Base interactions energy: -1003.363 where: short stacking energy: -453.463 Base-Backbone interact. energy: -2.182 local terms energy: -502.342207 where: bonds (distance) C4'-P energy: -96.322 bonds (distance) P-C4' energy: -96.112 flat angles C4'-P-C4' energy: -115.833 flat angles P-C4'-P energy: -66.433 tors. eta vs tors. theta energy: -127.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1276.438905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.438905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.438905 (E_RNA) where: Base-Base interactions energy: -816.765 where: short stacking energy: -369.765 Base-Backbone interact. energy: 0.885 local terms energy: -460.559440 where: bonds (distance) C4'-P energy: -104.856 bonds (distance) P-C4' energy: -98.282 flat angles C4'-P-C4' energy: -107.577 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: -85.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1259.695205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.695205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.695205 (E_RNA) where: Base-Base interactions energy: -795.062 where: short stacking energy: -387.131 Base-Backbone interact. energy: -3.556 local terms energy: -461.078028 where: bonds (distance) C4'-P energy: -89.078 bonds (distance) P-C4' energy: -99.972 flat angles C4'-P-C4' energy: -109.353 flat angles P-C4'-P energy: -75.579 tors. eta vs tors. theta energy: -87.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1036.534874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.534874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.534874 (E_RNA) where: Base-Base interactions energy: -647.564 where: short stacking energy: -307.970 Base-Backbone interact. energy: -1.573 local terms energy: -387.397262 where: bonds (distance) C4'-P energy: -86.353 bonds (distance) P-C4' energy: -105.540 flat angles C4'-P-C4' energy: -94.177 flat angles P-C4'-P energy: -42.740 tors. eta vs tors. theta energy: -58.587 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: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -867.091457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.091457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.091457 (E_RNA) where: Base-Base interactions energy: -508.111 where: short stacking energy: -228.899 Base-Backbone interact. energy: -0.401 local terms energy: -358.579839 where: bonds (distance) C4'-P energy: -109.078 bonds (distance) P-C4' energy: -86.069 flat angles C4'-P-C4' energy: -92.701 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -19.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -649.948976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.948976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.948976 (E_RNA) where: Base-Base interactions energy: -341.762 where: short stacking energy: -190.065 Base-Backbone interact. energy: -0.410 local terms energy: -307.776317 where: bonds (distance) C4'-P energy: -87.190 bonds (distance) P-C4' energy: -97.634 flat angles C4'-P-C4' energy: -75.202 flat angles P-C4'-P energy: -55.719 tors. eta vs tors. theta energy: 7.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -549.141070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.141070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.141070 (E_RNA) where: Base-Base interactions energy: -264.518 where: short stacking energy: -154.511 Base-Backbone interact. energy: 0.724 local terms energy: -285.347100 where: bonds (distance) C4'-P energy: -77.956 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -82.534 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1827.485138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.485138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.485138 (E_RNA) where: Base-Base interactions energy: -1243.938 where: short stacking energy: -556.941 Base-Backbone interact. energy: -3.156 local terms energy: -580.391831 where: bonds (distance) C4'-P energy: -102.666 bonds (distance) P-C4' energy: -118.776 flat angles C4'-P-C4' energy: -128.415 flat angles P-C4'-P energy: -73.768 tors. eta vs tors. theta energy: -156.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1683.395133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.395133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.395133 (E_RNA) where: Base-Base interactions energy: -1130.196 where: short stacking energy: -499.921 Base-Backbone interact. energy: -4.893 local terms energy: -548.306239 where: bonds (distance) C4'-P energy: -102.573 bonds (distance) P-C4' energy: -112.705 flat angles C4'-P-C4' energy: -119.436 flat angles P-C4'-P energy: -75.939 tors. eta vs tors. theta energy: -137.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1617.576154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.576154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.576154 (E_RNA) where: Base-Base interactions energy: -1088.366 where: short stacking energy: -479.183 Base-Backbone interact. energy: -1.647 local terms energy: -527.563370 where: bonds (distance) C4'-P energy: -111.745 bonds (distance) P-C4' energy: -95.863 flat angles C4'-P-C4' energy: -101.620 flat angles P-C4'-P energy: -80.763 tors. eta vs tors. theta energy: -137.573 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: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1478.859297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.859297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.859297 (E_RNA) where: Base-Base interactions energy: -1001.554 where: short stacking energy: -431.547 Base-Backbone interact. energy: -0.683 local terms energy: -476.622627 where: bonds (distance) C4'-P energy: -96.962 bonds (distance) P-C4' energy: -104.400 flat angles C4'-P-C4' energy: -101.442 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -111.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1289.492127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.492127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.492127 (E_RNA) where: Base-Base interactions energy: -820.867 where: short stacking energy: -381.785 Base-Backbone interact. energy: 1.367 local terms energy: -469.992127 where: bonds (distance) C4'-P energy: -99.507 bonds (distance) P-C4' energy: -108.490 flat angles C4'-P-C4' energy: -112.253 flat angles P-C4'-P energy: -66.153 tors. eta vs tors. theta energy: -83.589 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: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1282.460577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.460577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.460577 (E_RNA) where: Base-Base interactions energy: -833.847 where: short stacking energy: -376.306 Base-Backbone interact. energy: -3.332 local terms energy: -445.282310 where: bonds (distance) C4'-P energy: -100.864 bonds (distance) P-C4' energy: -91.858 flat angles C4'-P-C4' energy: -95.198 flat angles P-C4'-P energy: -67.601 tors. eta vs tors. theta energy: -89.761 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: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1037.414091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.414091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.414091 (E_RNA) where: Base-Base interactions energy: -635.600 where: short stacking energy: -299.968 Base-Backbone interact. energy: 6.691 local terms energy: -408.505448 where: bonds (distance) C4'-P energy: -97.994 bonds (distance) P-C4' energy: -90.909 flat angles C4'-P-C4' energy: -103.442 flat angles P-C4'-P energy: -60.580 tors. eta vs tors. theta energy: -55.579 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: 10 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -871.226332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.226332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.226332 (E_RNA) where: Base-Base interactions energy: -519.514 where: short stacking energy: -262.938 Base-Backbone interact. energy: 4.714 local terms energy: -356.426525 where: bonds (distance) C4'-P energy: -96.396 bonds (distance) P-C4' energy: -98.127 flat angles C4'-P-C4' energy: -81.254 flat angles P-C4'-P energy: -47.061 tors. eta vs tors. theta energy: -33.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -608.068803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.068803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.068803 (E_RNA) where: Base-Base interactions energy: -273.706 where: short stacking energy: -183.696 Base-Backbone interact. energy: 3.797 local terms energy: -338.159329 where: bonds (distance) C4'-P energy: -82.886 bonds (distance) P-C4' energy: -94.583 flat angles C4'-P-C4' energy: -97.371 flat angles P-C4'-P energy: -49.073 tors. eta vs tors. theta energy: -14.246 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: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -568.594705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.594705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.594705 (E_RNA) where: Base-Base interactions energy: -268.031 where: short stacking energy: -160.957 Base-Backbone interact. energy: 2.790 local terms energy: -303.353950 where: bonds (distance) C4'-P energy: -81.622 bonds (distance) P-C4' energy: -78.586 flat angles C4'-P-C4' energy: -88.676 flat angles P-C4'-P energy: -53.209 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1827.323228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.323228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.323228 (E_RNA) where: Base-Base interactions energy: -1258.445 where: short stacking energy: -569.582 Base-Backbone interact. energy: -2.825 local terms energy: -566.053225 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -104.180 flat angles C4'-P-C4' energy: -117.792 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -158.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1716.482736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.482736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.482736 (E_RNA) where: Base-Base interactions energy: -1157.390 where: short stacking energy: -549.441 Base-Backbone interact. energy: 3.344 local terms energy: -562.436369 where: bonds (distance) C4'-P energy: -113.757 bonds (distance) P-C4' energy: -94.078 flat angles C4'-P-C4' energy: -118.838 flat angles P-C4'-P energy: -80.288 tors. eta vs tors. theta energy: -155.476 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: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1626.755953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.755953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.755953 (E_RNA) where: Base-Base interactions energy: -1104.809 where: short stacking energy: -504.484 Base-Backbone interact. energy: 0.397 local terms energy: -522.343989 where: bonds (distance) C4'-P energy: -86.857 bonds (distance) P-C4' energy: -114.093 flat angles C4'-P-C4' energy: -120.794 flat angles P-C4'-P energy: -76.848 tors. eta vs tors. theta energy: -123.752 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: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1477.695203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.695203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.695203 (E_RNA) where: Base-Base interactions energy: -995.393 where: short stacking energy: -429.001 Base-Backbone interact. energy: -2.365 local terms energy: -479.937376 where: bonds (distance) C4'-P energy: -101.366 bonds (distance) P-C4' energy: -93.737 flat angles C4'-P-C4' energy: -98.765 flat angles P-C4'-P energy: -72.101 tors. eta vs tors. theta energy: -113.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1325.557923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.557923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.557923 (E_RNA) where: Base-Base interactions energy: -858.328 where: short stacking energy: -399.813 Base-Backbone interact. energy: -1.028 local terms energy: -466.201437 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -89.367 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -75.194 tors. eta vs tors. theta energy: -98.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1229.343791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.343791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.343791 (E_RNA) where: Base-Base interactions energy: -802.556 where: short stacking energy: -371.567 Base-Backbone interact. energy: -1.659 local terms energy: -425.129121 where: bonds (distance) C4'-P energy: -82.176 bonds (distance) P-C4' energy: -111.388 flat angles C4'-P-C4' energy: -104.855 flat angles P-C4'-P energy: -53.789 tors. eta vs tors. theta energy: -72.922 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: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1007.820194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.820194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.820194 (E_RNA) where: Base-Base interactions energy: -612.422 where: short stacking energy: -256.526 Base-Backbone interact. energy: -2.648 local terms energy: -392.750383 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -103.043 flat angles C4'-P-C4' energy: -90.811 flat angles P-C4'-P energy: -64.822 tors. eta vs tors. theta energy: -51.055 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: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -826.883054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.883054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.883054 (E_RNA) where: Base-Base interactions energy: -492.170 where: short stacking energy: -265.869 Base-Backbone interact. energy: -2.456 local terms energy: -332.257512 where: bonds (distance) C4'-P energy: -90.429 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -80.470 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -38.290 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: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -686.649910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.649910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.649910 (E_RNA) where: Base-Base interactions energy: -342.809 where: short stacking energy: -208.965 Base-Backbone interact. energy: -1.902 local terms energy: -341.938749 where: bonds (distance) C4'-P energy: -84.426 bonds (distance) P-C4' energy: -96.055 flat angles C4'-P-C4' energy: -85.439 flat angles P-C4'-P energy: -57.544 tors. eta vs tors. theta energy: -18.474 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: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -554.141003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.141003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.141003 (E_RNA) where: Base-Base interactions energy: -272.465 where: short stacking energy: -173.864 Base-Backbone interact. energy: -1.129 local terms energy: -280.547009 where: bonds (distance) C4'-P energy: -85.049 bonds (distance) P-C4' energy: -85.980 flat angles C4'-P-C4' energy: -75.911 flat angles P-C4'-P energy: -30.909 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1831.509835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.509835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.509835 (E_RNA) where: Base-Base interactions energy: -1256.595 where: short stacking energy: -565.328 Base-Backbone interact. energy: 1.342 local terms energy: -576.256939 where: bonds (distance) C4'-P energy: -108.043 bonds (distance) P-C4' energy: -107.941 flat angles C4'-P-C4' energy: -122.330 flat angles P-C4'-P energy: -77.866 tors. eta vs tors. theta energy: -160.078 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: 398 Temperature: 0.950000 Total energy: -1674.485388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.485388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.485388 (E_RNA) where: Base-Base interactions energy: -1131.102 where: short stacking energy: -486.644 Base-Backbone interact. energy: 0.147 local terms energy: -543.530150 where: bonds (distance) C4'-P energy: -93.588 bonds (distance) P-C4' energy: -125.087 flat angles C4'-P-C4' energy: -117.508 flat angles P-C4'-P energy: -74.457 tors. eta vs tors. theta energy: -132.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1612.411740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.411740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.411740 (E_RNA) where: Base-Base interactions energy: -1111.540 where: short stacking energy: -467.891 Base-Backbone interact. energy: -2.134 local terms energy: -498.737493 where: bonds (distance) C4'-P energy: -93.581 bonds (distance) P-C4' energy: -109.572 flat angles C4'-P-C4' energy: -100.897 flat angles P-C4'-P energy: -76.569 tors. eta vs tors. theta energy: -118.119 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: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1474.379503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.379503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.379503 (E_RNA) where: Base-Base interactions energy: -962.737 where: short stacking energy: -430.313 Base-Backbone interact. energy: -0.136 local terms energy: -511.506230 where: bonds (distance) C4'-P energy: -97.243 bonds (distance) P-C4' energy: -111.121 flat angles C4'-P-C4' energy: -111.983 flat angles P-C4'-P energy: -77.892 tors. eta vs tors. theta energy: -113.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1321.401397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.401397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.401397 (E_RNA) where: Base-Base interactions energy: -851.641 where: short stacking energy: -400.975 Base-Backbone interact. energy: 0.332 local terms energy: -470.091620 where: bonds (distance) C4'-P energy: -106.295 bonds (distance) P-C4' energy: -96.145 flat angles C4'-P-C4' energy: -101.735 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -103.445 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: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1240.467740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.467740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.467740 (E_RNA) where: Base-Base interactions energy: -806.157 where: short stacking energy: -355.789 Base-Backbone interact. energy: 2.968 local terms energy: -437.278827 where: bonds (distance) C4'-P energy: -99.078 bonds (distance) P-C4' energy: -98.094 flat angles C4'-P-C4' energy: -88.158 flat angles P-C4'-P energy: -57.799 tors. eta vs tors. theta energy: -94.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -984.624662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.624662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.624662 (E_RNA) where: Base-Base interactions energy: -609.056 where: short stacking energy: -286.990 Base-Backbone interact. energy: -2.366 local terms energy: -373.203074 where: bonds (distance) C4'-P energy: -82.720 bonds (distance) P-C4' energy: -89.549 flat angles C4'-P-C4' energy: -96.364 flat angles P-C4'-P energy: -52.762 tors. eta vs tors. theta energy: -51.808 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: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -808.578278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.578278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.578278 (E_RNA) where: Base-Base interactions energy: -447.358 where: short stacking energy: -235.221 Base-Backbone interact. energy: 1.787 local terms energy: -363.007448 where: bonds (distance) C4'-P energy: -88.669 bonds (distance) P-C4' energy: -93.476 flat angles C4'-P-C4' energy: -80.007 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -37.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -616.656771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.656771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.656771 (E_RNA) where: Base-Base interactions energy: -305.960 where: short stacking energy: -202.979 Base-Backbone interact. energy: -2.393 local terms energy: -308.304260 where: bonds (distance) C4'-P energy: -93.124 bonds (distance) P-C4' energy: -93.966 flat angles C4'-P-C4' energy: -61.334 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -14.364 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: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -582.511987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.511987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.511987 (E_RNA) where: Base-Base interactions energy: -284.957 where: short stacking energy: -169.354 Base-Backbone interact. energy: 1.743 local terms energy: -299.297348 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -85.270 flat angles C4'-P-C4' energy: -77.078 flat angles P-C4'-P energy: -44.303 tors. eta vs tors. theta energy: -4.944 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: 1, replica: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1828.439507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.439507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.439507 (E_RNA) where: Base-Base interactions energy: -1243.311 where: short stacking energy: -550.341 Base-Backbone interact. energy: 0.052 local terms energy: -585.180470 where: bonds (distance) C4'-P energy: -111.800 bonds (distance) P-C4' energy: -107.467 flat angles C4'-P-C4' energy: -127.609 flat angles P-C4'-P energy: -80.776 tors. eta vs tors. theta energy: -157.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1704.813602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.813602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.813602 (E_RNA) where: Base-Base interactions energy: -1139.655 where: short stacking energy: -518.930 Base-Backbone interact. energy: 0.053 local terms energy: -565.212416 where: bonds (distance) C4'-P energy: -108.641 bonds (distance) P-C4' energy: -103.365 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -76.836 tors. eta vs tors. theta energy: -156.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1654.238785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.238785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.238785 (E_RNA) where: Base-Base interactions energy: -1097.744 where: short stacking energy: -482.680 Base-Backbone interact. energy: -3.439 local terms energy: -553.055400 where: bonds (distance) C4'-P energy: -108.634 bonds (distance) P-C4' energy: -106.805 flat angles C4'-P-C4' energy: -125.016 flat angles P-C4'-P energy: -77.067 tors. eta vs tors. theta energy: -135.533 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: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1443.140941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.140941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.140941 (E_RNA) where: Base-Base interactions energy: -955.473 where: short stacking energy: -408.331 Base-Backbone interact. energy: -1.879 local terms energy: -485.788973 where: bonds (distance) C4'-P energy: -102.094 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -114.283 flat angles P-C4'-P energy: -77.646 tors. eta vs tors. theta energy: -108.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1309.196161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.196161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.196161 (E_RNA) where: Base-Base interactions energy: -843.498 where: short stacking energy: -383.000 Base-Backbone interact. energy: -3.069 local terms energy: -462.629750 where: bonds (distance) C4'-P energy: -101.195 bonds (distance) P-C4' energy: -106.723 flat angles C4'-P-C4' energy: -109.231 flat angles P-C4'-P energy: -53.728 tors. eta vs tors. theta energy: -91.753 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: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1337.676228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.676228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.676228 (E_RNA) where: Base-Base interactions energy: -878.472 where: short stacking energy: -417.805 Base-Backbone interact. energy: 0.905 local terms energy: -460.110051 where: bonds (distance) C4'-P energy: -97.413 bonds (distance) P-C4' energy: -114.191 flat angles C4'-P-C4' energy: -92.145 flat angles P-C4'-P energy: -52.688 tors. eta vs tors. theta energy: -103.673 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: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -972.443588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.443588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.443588 (E_RNA) where: Base-Base interactions energy: -594.267 where: short stacking energy: -274.961 Base-Backbone interact. energy: -1.581 local terms energy: -376.595618 where: bonds (distance) C4'-P energy: -86.129 bonds (distance) P-C4' energy: -113.048 flat angles C4'-P-C4' energy: -83.758 flat angles P-C4'-P energy: -55.230 tors. eta vs tors. theta energy: -38.431 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: 8, replica: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -832.553241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.553241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.553241 (E_RNA) where: Base-Base interactions energy: -457.723 where: short stacking energy: -235.213 Base-Backbone interact. energy: -0.570 local terms energy: -374.260016 where: bonds (distance) C4'-P energy: -85.867 bonds (distance) P-C4' energy: -97.348 flat angles C4'-P-C4' energy: -89.120 flat angles P-C4'-P energy: -69.691 tors. eta vs tors. theta energy: -32.233 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: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -631.351203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.351203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.351203 (E_RNA) where: Base-Base interactions energy: -340.481 where: short stacking energy: -204.388 Base-Backbone interact. energy: -1.743 local terms energy: -289.127319 where: bonds (distance) C4'-P energy: -84.361 bonds (distance) P-C4' energy: -80.949 flat angles C4'-P-C4' energy: -74.684 flat angles P-C4'-P energy: -27.752 tors. eta vs tors. theta energy: -21.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -584.724247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.724247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.724247 (E_RNA) where: Base-Base interactions energy: -278.914 where: short stacking energy: -186.171 Base-Backbone interact. energy: -0.732 local terms energy: -305.078161 where: bonds (distance) C4'-P energy: -99.342 bonds (distance) P-C4' energy: -91.651 flat angles C4'-P-C4' energy: -83.030 flat angles P-C4'-P energy: -20.755 tors. eta vs tors. theta energy: -10.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1826.957540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.957540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.957540 (E_RNA) where: Base-Base interactions energy: -1246.853 where: short stacking energy: -574.541 Base-Backbone interact. energy: -1.821 local terms energy: -578.283886 where: bonds (distance) C4'-P energy: -110.194 bonds (distance) P-C4' energy: -105.440 flat angles C4'-P-C4' energy: -115.873 flat angles P-C4'-P energy: -81.099 tors. eta vs tors. theta energy: -165.678 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: 400 Temperature: 0.950000 Total energy: -1706.437995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.437995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.437995 (E_RNA) where: Base-Base interactions energy: -1144.985 where: short stacking energy: -557.903 Base-Backbone interact. energy: -1.011 local terms energy: -560.441517 where: bonds (distance) C4'-P energy: -100.767 bonds (distance) P-C4' energy: -107.874 flat angles C4'-P-C4' energy: -116.564 flat angles P-C4'-P energy: -86.328 tors. eta vs tors. theta energy: -148.908 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: 400 Temperature: 1.000000 Total energy: -1628.464092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.464092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.464092 (E_RNA) where: Base-Base interactions energy: -1129.162 where: short stacking energy: -475.700 Base-Backbone interact. energy: -0.854 local terms energy: -498.447736 where: bonds (distance) C4'-P energy: -90.425 bonds (distance) P-C4' energy: -99.442 flat angles C4'-P-C4' energy: -102.849 flat angles P-C4'-P energy: -77.919 tors. eta vs tors. theta energy: -127.813 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: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1461.176458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.176458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.176458 (E_RNA) where: Base-Base interactions energy: -969.659 where: short stacking energy: -445.700 Base-Backbone interact. energy: 3.550 local terms energy: -495.067298 where: bonds (distance) C4'-P energy: -94.504 bonds (distance) P-C4' energy: -100.160 flat angles C4'-P-C4' energy: -118.171 flat angles P-C4'-P energy: -74.898 tors. eta vs tors. theta energy: -107.335 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: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1302.751915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.751915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.751915 (E_RNA) where: Base-Base interactions energy: -820.073 where: short stacking energy: -408.604 Base-Backbone interact. energy: 2.623 local terms energy: -485.302614 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -97.536 flat angles C4'-P-C4' energy: -111.264 flat angles P-C4'-P energy: -75.431 tors. eta vs tors. theta energy: -100.441 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: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1264.723967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.723967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.723967 (E_RNA) where: Base-Base interactions energy: -812.032 where: short stacking energy: -378.450 Base-Backbone interact. energy: 2.365 local terms energy: -455.056832 where: bonds (distance) C4'-P energy: -96.680 bonds (distance) P-C4' energy: -105.498 flat angles C4'-P-C4' energy: -98.233 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: -96.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -993.076222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.076222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.076222 (E_RNA) where: Base-Base interactions energy: -557.871 where: short stacking energy: -260.173 Base-Backbone interact. energy: 4.416 local terms energy: -439.621063 where: bonds (distance) C4'-P energy: -104.442 bonds (distance) P-C4' energy: -114.536 flat angles C4'-P-C4' energy: -105.248 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: -47.213 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: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -808.722563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.722563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.722563 (E_RNA) where: Base-Base interactions energy: -454.017 where: short stacking energy: -225.874 Base-Backbone interact. energy: -2.124 local terms energy: -352.581728 where: bonds (distance) C4'-P energy: -104.605 bonds (distance) P-C4' energy: -85.762 flat angles C4'-P-C4' energy: -84.931 flat angles P-C4'-P energy: -47.007 tors. eta vs tors. theta energy: -30.277 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: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -617.049393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.049393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.049393 (E_RNA) where: Base-Base interactions energy: -289.209 where: short stacking energy: -178.441 Base-Backbone interact. energy: 1.470 local terms energy: -329.309983 where: bonds (distance) C4'-P energy: -103.279 bonds (distance) P-C4' energy: -104.745 flat angles C4'-P-C4' energy: -79.373 flat angles P-C4'-P energy: -33.297 tors. eta vs tors. theta energy: -8.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -572.492245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.492245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.492245 (E_RNA) where: Base-Base interactions energy: -256.344 where: short stacking energy: -154.373 Base-Backbone interact. energy: 1.687 local terms energy: -317.835654 where: bonds (distance) C4'-P energy: -91.138 bonds (distance) P-C4' energy: -101.359 flat angles C4'-P-C4' energy: -86.295 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: 10.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1824.583036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.583036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.583036 (E_RNA) where: Base-Base interactions energy: -1250.851 where: short stacking energy: -565.933 Base-Backbone interact. energy: -1.126 local terms energy: -572.606013 where: bonds (distance) C4'-P energy: -107.971 bonds (distance) P-C4' energy: -98.723 flat angles C4'-P-C4' energy: -116.765 flat angles P-C4'-P energy: -80.672 tors. eta vs tors. theta energy: -168.476 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: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1692.643875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.643875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.643875 (E_RNA) where: Base-Base interactions energy: -1128.673 where: short stacking energy: -521.019 Base-Backbone interact. energy: -1.247 local terms energy: -562.724371 where: bonds (distance) C4'-P energy: -118.859 bonds (distance) P-C4' energy: -97.894 flat angles C4'-P-C4' energy: -123.584 flat angles P-C4'-P energy: -76.187 tors. eta vs tors. theta energy: -146.201 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: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1639.026915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.026915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.026915 (E_RNA) where: Base-Base interactions energy: -1115.496 where: short stacking energy: -489.357 Base-Backbone interact. energy: -2.657 local terms energy: -520.873900 where: bonds (distance) C4'-P energy: -83.204 bonds (distance) P-C4' energy: -104.167 flat angles C4'-P-C4' energy: -123.212 flat angles P-C4'-P energy: -80.306 tors. eta vs tors. theta energy: -129.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1503.184056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.184056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.184056 (E_RNA) where: Base-Base interactions energy: -1027.852 where: short stacking energy: -450.871 Base-Backbone interact. energy: -0.627 local terms energy: -474.705345 where: bonds (distance) C4'-P energy: -89.921 bonds (distance) P-C4' energy: -86.151 flat angles C4'-P-C4' energy: -111.253 flat angles P-C4'-P energy: -80.638 tors. eta vs tors. theta energy: -106.742 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: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1276.205319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.205319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.205319 (E_RNA) where: Base-Base interactions energy: -802.312 where: short stacking energy: -401.180 Base-Backbone interact. energy: -1.817 local terms energy: -472.076906 where: bonds (distance) C4'-P energy: -88.173 bonds (distance) P-C4' energy: -97.714 flat angles C4'-P-C4' energy: -110.767 flat angles P-C4'-P energy: -78.012 tors. eta vs tors. theta energy: -97.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1257.940757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.940757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.940757 (E_RNA) where: Base-Base interactions energy: -807.934 where: short stacking energy: -375.403 Base-Backbone interact. energy: -2.232 local terms energy: -447.774856 where: bonds (distance) C4'-P energy: -97.444 bonds (distance) P-C4' energy: -90.695 flat angles C4'-P-C4' energy: -100.424 flat angles P-C4'-P energy: -64.006 tors. eta vs tors. theta energy: -95.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -953.327447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.327447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.327447 (E_RNA) where: Base-Base interactions energy: -573.841 where: short stacking energy: -289.029 Base-Backbone interact. energy: 1.447 local terms energy: -380.932725 where: bonds (distance) C4'-P energy: -89.127 bonds (distance) P-C4' energy: -80.246 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -48.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -857.449106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.449106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.449106 (E_RNA) where: Base-Base interactions energy: -490.097 where: short stacking energy: -251.084 Base-Backbone interact. energy: -0.072 local terms energy: -367.279853 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -101.371 flat angles C4'-P-C4' energy: -79.052 flat angles P-C4'-P energy: -68.439 tors. eta vs tors. theta energy: -32.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -607.836491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.836491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.836491 (E_RNA) where: Base-Base interactions energy: -322.470 where: short stacking energy: -192.363 Base-Backbone interact. energy: 2.134 local terms energy: -287.501171 where: bonds (distance) C4'-P energy: -69.166 bonds (distance) P-C4' energy: -96.665 flat angles C4'-P-C4' energy: -96.305 flat angles P-C4'-P energy: -35.118 tors. eta vs tors. theta energy: 9.753 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: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -554.333294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.333294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.333294 (E_RNA) where: Base-Base interactions energy: -279.729 where: short stacking energy: -165.329 Base-Backbone interact. energy: 3.228 local terms energy: -277.832078 where: bonds (distance) C4'-P energy: -77.817 bonds (distance) P-C4' energy: -90.888 flat angles C4'-P-C4' energy: -74.111 flat angles P-C4'-P energy: -46.826 tors. eta vs tors. theta energy: 11.811 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: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1848.358079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.358079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.358079 (E_RNA) where: Base-Base interactions energy: -1263.045 where: short stacking energy: -578.825 Base-Backbone interact. energy: -2.052 local terms energy: -583.261301 where: bonds (distance) C4'-P energy: -96.710 bonds (distance) P-C4' energy: -112.634 flat angles C4'-P-C4' energy: -120.287 flat angles P-C4'-P energy: -87.682 tors. eta vs tors. theta energy: -165.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1707.981328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.981328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.981328 (E_RNA) where: Base-Base interactions energy: -1144.696 where: short stacking energy: -528.624 Base-Backbone interact. energy: -2.499 local terms energy: -560.786746 where: bonds (distance) C4'-P energy: -113.887 bonds (distance) P-C4' energy: -95.583 flat angles C4'-P-C4' energy: -125.956 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -152.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1609.150787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.150787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.150787 (E_RNA) where: Base-Base interactions energy: -1110.563 where: short stacking energy: -476.053 Base-Backbone interact. energy: 3.315 local terms energy: -501.903193 where: bonds (distance) C4'-P energy: -89.139 bonds (distance) P-C4' energy: -103.956 flat angles C4'-P-C4' energy: -117.278 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -127.330 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: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1471.648316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.648316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.648316 (E_RNA) where: Base-Base interactions energy: -964.057 where: short stacking energy: -442.865 Base-Backbone interact. energy: -1.054 local terms energy: -506.537783 where: bonds (distance) C4'-P energy: -100.019 bonds (distance) P-C4' energy: -96.635 flat angles C4'-P-C4' energy: -107.069 flat angles P-C4'-P energy: -73.474 tors. eta vs tors. theta energy: -129.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1380.929098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.929098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.929098 (E_RNA) where: Base-Base interactions energy: -892.179 where: short stacking energy: -427.173 Base-Backbone interact. energy: -3.351 local terms energy: -485.398729 where: bonds (distance) C4'-P energy: -101.787 bonds (distance) P-C4' energy: -86.257 flat angles C4'-P-C4' energy: -101.270 flat angles P-C4'-P energy: -77.820 tors. eta vs tors. theta energy: -118.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1224.145649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.145649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.145649 (E_RNA) where: Base-Base interactions energy: -791.732 where: short stacking energy: -366.856 Base-Backbone interact. energy: -2.234 local terms energy: -430.180227 where: bonds (distance) C4'-P energy: -86.786 bonds (distance) P-C4' energy: -82.789 flat angles C4'-P-C4' energy: -99.831 flat angles P-C4'-P energy: -72.860 tors. eta vs tors. theta energy: -87.914 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: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1045.076759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.076759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.076759 (E_RNA) where: Base-Base interactions energy: -651.369 where: short stacking energy: -329.895 Base-Backbone interact. energy: -0.095 local terms energy: -393.612144 where: bonds (distance) C4'-P energy: -101.602 bonds (distance) P-C4' energy: -71.122 flat angles C4'-P-C4' energy: -104.295 flat angles P-C4'-P energy: -58.922 tors. eta vs tors. theta energy: -57.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -832.130125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.130125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.130125 (E_RNA) where: Base-Base interactions energy: -476.703 where: short stacking energy: -252.535 Base-Backbone interact. energy: 6.074 local terms energy: -361.500895 where: bonds (distance) C4'-P energy: -82.018 bonds (distance) P-C4' energy: -103.104 flat angles C4'-P-C4' energy: -92.507 flat angles P-C4'-P energy: -54.557 tors. eta vs tors. theta energy: -29.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -589.155433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.155433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.155433 (E_RNA) where: Base-Base interactions energy: -270.290 where: short stacking energy: -177.400 Base-Backbone interact. energy: -1.855 local terms energy: -317.010386 where: bonds (distance) C4'-P energy: -84.987 bonds (distance) P-C4' energy: -87.196 flat angles C4'-P-C4' energy: -84.433 flat angles P-C4'-P energy: -57.581 tors. eta vs tors. theta energy: -2.813 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: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -569.875224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.875224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.875224 (E_RNA) where: Base-Base interactions energy: -266.010 where: short stacking energy: -174.637 Base-Backbone interact. energy: -2.257 local terms energy: -301.608409 where: bonds (distance) C4'-P energy: -74.589 bonds (distance) P-C4' energy: -95.901 flat angles C4'-P-C4' energy: -80.183 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: 3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1832.807597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.807597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.807597 (E_RNA) where: Base-Base interactions energy: -1232.488 where: short stacking energy: -564.350 Base-Backbone interact. energy: -4.043 local terms energy: -596.276086 where: bonds (distance) C4'-P energy: -114.112 bonds (distance) P-C4' energy: -108.827 flat angles C4'-P-C4' energy: -118.835 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -167.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1718.270840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.270840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.270840 (E_RNA) where: Base-Base interactions energy: -1163.003 where: short stacking energy: -547.456 Base-Backbone interact. energy: -0.910 local terms energy: -554.358465 where: bonds (distance) C4'-P energy: -91.286 bonds (distance) P-C4' energy: -100.420 flat angles C4'-P-C4' energy: -130.524 flat angles P-C4'-P energy: -75.595 tors. eta vs tors. theta energy: -156.534 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: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1596.479324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.479324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.479324 (E_RNA) where: Base-Base interactions energy: -1088.911 where: short stacking energy: -468.127 Base-Backbone interact. energy: -3.684 local terms energy: -503.884678 where: bonds (distance) C4'-P energy: -102.663 bonds (distance) P-C4' energy: -96.718 flat angles C4'-P-C4' energy: -111.832 flat angles P-C4'-P energy: -69.815 tors. eta vs tors. theta energy: -122.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1463.492719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.492719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.492719 (E_RNA) where: Base-Base interactions energy: -965.825 where: short stacking energy: -457.449 Base-Backbone interact. energy: -0.165 local terms energy: -497.502937 where: bonds (distance) C4'-P energy: -91.575 bonds (distance) P-C4' energy: -104.703 flat angles C4'-P-C4' energy: -105.920 flat angles P-C4'-P energy: -79.253 tors. eta vs tors. theta energy: -116.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1340.090347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.090347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.090347 (E_RNA) where: Base-Base interactions energy: -883.501 where: short stacking energy: -400.717 Base-Backbone interact. energy: -0.380 local terms energy: -456.208900 where: bonds (distance) C4'-P energy: -86.758 bonds (distance) P-C4' energy: -93.920 flat angles C4'-P-C4' energy: -104.422 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -98.210 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: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1215.116728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.116728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.116728 (E_RNA) where: Base-Base interactions energy: -772.854 where: short stacking energy: -380.847 Base-Backbone interact. energy: 6.221 local terms energy: -448.483930 where: bonds (distance) C4'-P energy: -84.669 bonds (distance) P-C4' energy: -98.071 flat angles C4'-P-C4' energy: -98.675 flat angles P-C4'-P energy: -78.407 tors. eta vs tors. theta energy: -88.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1001.177018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.177018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.177018 (E_RNA) where: Base-Base interactions energy: -610.897 where: short stacking energy: -276.251 Base-Backbone interact. energy: -1.297 local terms energy: -388.983022 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -102.986 flat angles C4'-P-C4' energy: -97.249 flat angles P-C4'-P energy: -54.457 tors. eta vs tors. theta energy: -36.638 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: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -826.571446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.571446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.571446 (E_RNA) where: Base-Base interactions energy: -493.480 where: short stacking energy: -234.955 Base-Backbone interact. energy: -1.280 local terms energy: -331.811300 where: bonds (distance) C4'-P energy: -80.291 bonds (distance) P-C4' energy: -84.686 flat angles C4'-P-C4' energy: -95.378 flat angles P-C4'-P energy: -44.812 tors. eta vs tors. theta energy: -26.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -607.494472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.494472 (E_RNA) where: Base-Base interactions energy: -264.971 where: short stacking energy: -167.736 Base-Backbone interact. energy: 2.807 local terms energy: -345.329939 where: bonds (distance) C4'-P energy: -106.656 bonds (distance) P-C4' energy: -98.150 flat angles C4'-P-C4' energy: -102.298 flat angles P-C4'-P energy: -44.341 tors. eta vs tors. theta energy: 6.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -549.424840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.424840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.424840 (E_RNA) where: Base-Base interactions energy: -265.445 where: short stacking energy: -172.382 Base-Backbone interact. energy: -0.650 local terms energy: -283.329878 where: bonds (distance) C4'-P energy: -82.249 bonds (distance) P-C4' energy: -98.656 flat angles C4'-P-C4' energy: -73.054 flat angles P-C4'-P energy: -29.576 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1847.877917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.877917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.877917 (E_RNA) where: Base-Base interactions energy: -1260.336 where: short stacking energy: -568.067 Base-Backbone interact. energy: -2.687 local terms energy: -584.854349 where: bonds (distance) C4'-P energy: -102.037 bonds (distance) P-C4' energy: -115.376 flat angles C4'-P-C4' energy: -124.320 flat angles P-C4'-P energy: -78.242 tors. eta vs tors. theta energy: -164.880 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: 404 Temperature: 0.950000 Total energy: -1730.646465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.646465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.646465 (E_RNA) where: Base-Base interactions energy: -1144.222 where: short stacking energy: -517.730 Base-Backbone interact. energy: -2.732 local terms energy: -583.692713 where: bonds (distance) C4'-P energy: -96.608 bonds (distance) P-C4' energy: -120.932 flat angles C4'-P-C4' energy: -120.997 flat angles P-C4'-P energy: -80.723 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: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1586.879064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.879064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.879064 (E_RNA) where: Base-Base interactions energy: -1067.351 where: short stacking energy: -486.481 Base-Backbone interact. energy: 1.329 local terms energy: -520.857309 where: bonds (distance) C4'-P energy: -100.014 bonds (distance) P-C4' energy: -104.640 flat angles C4'-P-C4' energy: -121.370 flat angles P-C4'-P energy: -73.086 tors. eta vs tors. theta energy: -121.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1447.820293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.820293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.820293 (E_RNA) where: Base-Base interactions energy: -943.796 where: short stacking energy: -430.685 Base-Backbone interact. energy: -1.487 local terms energy: -502.536781 where: bonds (distance) C4'-P energy: -85.322 bonds (distance) P-C4' energy: -113.477 flat angles C4'-P-C4' energy: -118.633 flat angles P-C4'-P energy: -67.112 tors. eta vs tors. theta energy: -117.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1322.065313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.065313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.065313 (E_RNA) where: Base-Base interactions energy: -857.960 where: short stacking energy: -392.355 Base-Backbone interact. energy: -2.233 local terms energy: -461.871970 where: bonds (distance) C4'-P energy: -104.508 bonds (distance) P-C4' energy: -96.634 flat angles C4'-P-C4' energy: -98.727 flat angles P-C4'-P energy: -61.262 tors. eta vs tors. theta energy: -100.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1204.744403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.744403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.744403 (E_RNA) where: Base-Base interactions energy: -752.902 where: short stacking energy: -336.519 Base-Backbone interact. energy: -0.167 local terms energy: -451.675684 where: bonds (distance) C4'-P energy: -103.670 bonds (distance) P-C4' energy: -100.425 flat angles C4'-P-C4' energy: -94.156 flat angles P-C4'-P energy: -69.766 tors. eta vs tors. theta energy: -83.658 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: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -992.091100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.091100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.091100 (E_RNA) where: Base-Base interactions energy: -596.884 where: short stacking energy: -274.401 Base-Backbone interact. energy: -1.139 local terms energy: -394.067723 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -98.909 flat angles C4'-P-C4' energy: -96.999 flat angles P-C4'-P energy: -65.569 tors. eta vs tors. theta energy: -44.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -845.096056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.096056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.096056 (E_RNA) where: Base-Base interactions energy: -495.290 where: short stacking energy: -249.198 Base-Backbone interact. energy: -2.084 local terms energy: -347.722260 where: bonds (distance) C4'-P energy: -82.508 bonds (distance) P-C4' energy: -108.072 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -46.897 tors. eta vs tors. theta energy: -36.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -604.939818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.939818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.939818 (E_RNA) where: Base-Base interactions energy: -296.476 where: short stacking energy: -177.145 Base-Backbone interact. energy: 5.558 local terms energy: -314.021840 where: bonds (distance) C4'-P energy: -85.761 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -86.180 flat angles P-C4'-P energy: -46.189 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -605.058258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.058258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.058258 (E_RNA) where: Base-Base interactions energy: -306.266 where: short stacking energy: -191.885 Base-Backbone interact. energy: 8.704 local terms energy: -307.496232 where: bonds (distance) C4'-P energy: -86.626 bonds (distance) P-C4' energy: -101.633 flat angles C4'-P-C4' energy: -75.999 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -1.370 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: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1832.940464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.940464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.940464 (E_RNA) where: Base-Base interactions energy: -1240.073 where: short stacking energy: -554.308 Base-Backbone interact. energy: -2.049 local terms energy: -590.819033 where: bonds (distance) C4'-P energy: -114.913 bonds (distance) P-C4' energy: -107.208 flat angles C4'-P-C4' energy: -126.596 flat angles P-C4'-P energy: -86.242 tors. eta vs tors. theta energy: -155.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1714.700133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.700133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.700133 (E_RNA) where: Base-Base interactions energy: -1141.911 where: short stacking energy: -536.520 Base-Backbone interact. energy: -1.134 local terms energy: -571.655020 where: bonds (distance) C4'-P energy: -106.970 bonds (distance) P-C4' energy: -96.167 flat angles C4'-P-C4' energy: -120.596 flat angles P-C4'-P energy: -92.018 tors. eta vs tors. theta energy: -155.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1581.737767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.737767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.737767 (E_RNA) where: Base-Base interactions energy: -1081.184 where: short stacking energy: -474.590 Base-Backbone interact. energy: -1.763 local terms energy: -498.789952 where: bonds (distance) C4'-P energy: -100.613 bonds (distance) P-C4' energy: -98.540 flat angles C4'-P-C4' energy: -105.716 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -117.741 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: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1503.325165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.325165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.325165 (E_RNA) where: Base-Base interactions energy: -990.633 where: short stacking energy: -424.127 Base-Backbone interact. energy: -3.255 local terms energy: -509.437321 where: bonds (distance) C4'-P energy: -97.275 bonds (distance) P-C4' energy: -109.073 flat angles C4'-P-C4' energy: -105.474 flat angles P-C4'-P energy: -71.862 tors. eta vs tors. theta energy: -125.753 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: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1285.946938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.946938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.946938 (E_RNA) where: Base-Base interactions energy: -819.461 where: short stacking energy: -401.820 Base-Backbone interact. energy: -2.475 local terms energy: -464.011172 where: bonds (distance) C4'-P energy: -109.807 bonds (distance) P-C4' energy: -92.875 flat angles C4'-P-C4' energy: -106.288 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -102.699 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: 405 Temperature: 1.150000 Total energy: -1202.145842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.145842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.145842 (E_RNA) where: Base-Base interactions energy: -747.712 where: short stacking energy: -330.068 Base-Backbone interact. energy: -1.109 local terms energy: -453.325464 where: bonds (distance) C4'-P energy: -103.660 bonds (distance) P-C4' energy: -105.249 flat angles C4'-P-C4' energy: -97.013 flat angles P-C4'-P energy: -64.033 tors. eta vs tors. theta energy: -83.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1054.487601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.487601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.487601 (E_RNA) where: Base-Base interactions energy: -655.847 where: short stacking energy: -312.156 Base-Backbone interact. energy: 1.348 local terms energy: -399.989102 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -87.848 flat angles C4'-P-C4' energy: -102.786 flat angles P-C4'-P energy: -62.370 tors. eta vs tors. theta energy: -52.191 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: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -835.894165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.894165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.894165 (E_RNA) where: Base-Base interactions energy: -515.330 where: short stacking energy: -226.549 Base-Backbone interact. energy: 2.822 local terms energy: -323.386118 where: bonds (distance) C4'-P energy: -75.824 bonds (distance) P-C4' energy: -100.383 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -39.535 tors. eta vs tors. theta energy: -22.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -650.969029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.969029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.969029 (E_RNA) where: Base-Base interactions energy: -316.180 where: short stacking energy: -213.036 Base-Backbone interact. energy: 1.145 local terms energy: -335.933786 where: bonds (distance) C4'-P energy: -77.632 bonds (distance) P-C4' energy: -107.952 flat angles C4'-P-C4' energy: -86.370 flat angles P-C4'-P energy: -45.170 tors. eta vs tors. theta energy: -18.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -574.256055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.256055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.256055 (E_RNA) where: Base-Base interactions energy: -286.223 where: short stacking energy: -161.044 Base-Backbone interact. energy: -0.833 local terms energy: -287.200365 where: bonds (distance) C4'-P energy: -68.505 bonds (distance) P-C4' energy: -95.808 flat angles C4'-P-C4' energy: -74.973 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -11.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1822.561244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.561244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.561244 (E_RNA) where: Base-Base interactions energy: -1223.760 where: short stacking energy: -539.015 Base-Backbone interact. energy: -0.341 local terms energy: -598.459522 where: bonds (distance) C4'-P energy: -113.564 bonds (distance) P-C4' energy: -113.045 flat angles C4'-P-C4' energy: -129.046 flat angles P-C4'-P energy: -81.029 tors. eta vs tors. theta energy: -161.775 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: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1721.233135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.233135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.233135 (E_RNA) where: Base-Base interactions energy: -1132.230 where: short stacking energy: -546.234 Base-Backbone interact. energy: -1.374 local terms energy: -587.629395 where: bonds (distance) C4'-P energy: -116.726 bonds (distance) P-C4' energy: -102.829 flat angles C4'-P-C4' energy: -123.242 flat angles P-C4'-P energy: -90.647 tors. eta vs tors. theta energy: -154.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1548.359970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.359970 (E_RNA) where: Base-Base interactions energy: -1033.175 where: short stacking energy: -456.184 Base-Backbone interact. energy: -1.803 local terms energy: -513.381364 where: bonds (distance) C4'-P energy: -113.335 bonds (distance) P-C4' energy: -101.210 flat angles C4'-P-C4' energy: -118.528 flat angles P-C4'-P energy: -71.890 tors. eta vs tors. theta energy: -108.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1494.302114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.302114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.302114 (E_RNA) where: Base-Base interactions energy: -974.741 where: short stacking energy: -434.400 Base-Backbone interact. energy: -0.639 local terms energy: -518.922533 where: bonds (distance) C4'-P energy: -99.214 bonds (distance) P-C4' energy: -107.764 flat angles C4'-P-C4' energy: -115.599 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -117.678 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: 406 Temperature: 1.100000 Total energy: -1272.898047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.898047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.898047 (E_RNA) where: Base-Base interactions energy: -798.627 where: short stacking energy: -365.182 Base-Backbone interact. energy: -2.970 local terms energy: -471.300732 where: bonds (distance) C4'-P energy: -107.378 bonds (distance) P-C4' energy: -100.558 flat angles C4'-P-C4' energy: -95.606 flat angles P-C4'-P energy: -76.320 tors. eta vs tors. theta energy: -91.438 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: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1211.592325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.592325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.592325 (E_RNA) where: Base-Base interactions energy: -754.452 where: short stacking energy: -379.317 Base-Backbone interact. energy: -2.620 local terms energy: -454.520403 where: bonds (distance) C4'-P energy: -89.004 bonds (distance) P-C4' energy: -100.020 flat angles C4'-P-C4' energy: -114.297 flat angles P-C4'-P energy: -62.591 tors. eta vs tors. theta energy: -88.609 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: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1019.236923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.236923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.236923 (E_RNA) where: Base-Base interactions energy: -635.570 where: short stacking energy: -277.883 Base-Backbone interact. energy: -3.234 local terms energy: -380.433440 where: bonds (distance) C4'-P energy: -88.745 bonds (distance) P-C4' energy: -90.661 flat angles C4'-P-C4' energy: -99.502 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -41.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -863.647309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.647309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.647309 (E_RNA) where: Base-Base interactions energy: -483.422 where: short stacking energy: -262.079 Base-Backbone interact. energy: -1.254 local terms energy: -378.970908 where: bonds (distance) C4'-P energy: -90.727 bonds (distance) P-C4' energy: -88.649 flat angles C4'-P-C4' energy: -104.604 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -34.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -591.924699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.924699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.924699 (E_RNA) where: Base-Base interactions energy: -294.820 where: short stacking energy: -175.665 Base-Backbone interact. energy: -1.385 local terms energy: -295.720046 where: bonds (distance) C4'-P energy: -89.374 bonds (distance) P-C4' energy: -91.228 flat angles C4'-P-C4' energy: -86.935 flat angles P-C4'-P energy: -36.551 tors. eta vs tors. theta energy: 8.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -574.878895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.878895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.878895 (E_RNA) where: Base-Base interactions energy: -277.455 where: short stacking energy: -164.541 Base-Backbone interact. energy: -1.440 local terms energy: -295.983928 where: bonds (distance) C4'-P energy: -97.149 bonds (distance) P-C4' energy: -98.577 flat angles C4'-P-C4' energy: -63.624 flat angles P-C4'-P energy: -34.528 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1791.712842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.712842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.712842 (E_RNA) where: Base-Base interactions energy: -1228.660 where: short stacking energy: -527.928 Base-Backbone interact. energy: -1.759 local terms energy: -561.294330 where: bonds (distance) C4'-P energy: -98.561 bonds (distance) P-C4' energy: -108.176 flat angles C4'-P-C4' energy: -120.536 flat angles P-C4'-P energy: -76.326 tors. eta vs tors. theta energy: -157.696 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: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1704.447528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.447528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.447528 (E_RNA) where: Base-Base interactions energy: -1138.968 where: short stacking energy: -518.713 Base-Backbone interact. energy: -2.584 local terms energy: -562.894947 where: bonds (distance) C4'-P energy: -108.515 bonds (distance) P-C4' energy: -112.754 flat angles C4'-P-C4' energy: -121.021 flat angles P-C4'-P energy: -74.627 tors. eta vs tors. theta energy: -145.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1521.401495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.401495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.401495 (E_RNA) where: Base-Base interactions energy: -1009.519 where: short stacking energy: -459.886 Base-Backbone interact. energy: 0.632 local terms energy: -512.514479 where: bonds (distance) C4'-P energy: -110.761 bonds (distance) P-C4' energy: -105.881 flat angles C4'-P-C4' energy: -114.121 flat angles P-C4'-P energy: -74.992 tors. eta vs tors. theta energy: -106.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1458.669787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.669787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.669787 (E_RNA) where: Base-Base interactions energy: -954.196 where: short stacking energy: -422.058 Base-Backbone interact. energy: 2.546 local terms energy: -507.019606 where: bonds (distance) C4'-P energy: -84.388 bonds (distance) P-C4' energy: -113.461 flat angles C4'-P-C4' energy: -115.364 flat angles P-C4'-P energy: -82.199 tors. eta vs tors. theta energy: -111.608 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: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1275.188485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.188485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.188485 (E_RNA) where: Base-Base interactions energy: -812.035 where: short stacking energy: -374.980 Base-Backbone interact. energy: 1.871 local terms energy: -465.024438 where: bonds (distance) C4'-P energy: -91.231 bonds (distance) P-C4' energy: -99.308 flat angles C4'-P-C4' energy: -120.061 flat angles P-C4'-P energy: -59.690 tors. eta vs tors. theta energy: -94.734 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: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1232.948715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.948715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.948715 (E_RNA) where: Base-Base interactions energy: -814.668 where: short stacking energy: -375.586 Base-Backbone interact. energy: -5.369 local terms energy: -412.911744 where: bonds (distance) C4'-P energy: -77.602 bonds (distance) P-C4' energy: -81.628 flat angles C4'-P-C4' energy: -99.689 flat angles P-C4'-P energy: -69.521 tors. eta vs tors. theta energy: -84.473 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: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -970.903502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.903502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.903502 (E_RNA) where: Base-Base interactions energy: -588.488 where: short stacking energy: -277.484 Base-Backbone interact. energy: -2.452 local terms energy: -379.963286 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -104.468 flat angles C4'-P-C4' energy: -75.227 flat angles P-C4'-P energy: -68.126 tors. eta vs tors. theta energy: -47.195 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: 10 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -833.858178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.858178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.858178 (E_RNA) where: Base-Base interactions energy: -486.202 where: short stacking energy: -231.592 Base-Backbone interact. energy: -1.721 local terms energy: -345.934616 where: bonds (distance) C4'-P energy: -82.650 bonds (distance) P-C4' energy: -93.078 flat angles C4'-P-C4' energy: -91.474 flat angles P-C4'-P energy: -47.369 tors. eta vs tors. theta energy: -31.364 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: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -588.813649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.813649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.813649 (E_RNA) where: Base-Base interactions energy: -292.062 where: short stacking energy: -199.462 Base-Backbone interact. energy: 0.519 local terms energy: -297.270817 where: bonds (distance) C4'-P energy: -70.376 bonds (distance) P-C4' energy: -86.903 flat angles C4'-P-C4' energy: -86.501 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -9.774 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: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -568.587199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.587199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.587199 (E_RNA) where: Base-Base interactions energy: -244.426 where: short stacking energy: -151.526 Base-Backbone interact. energy: 0.806 local terms energy: -324.966915 where: bonds (distance) C4'-P energy: -93.001 bonds (distance) P-C4' energy: -95.725 flat angles C4'-P-C4' energy: -89.965 flat angles P-C4'-P energy: -44.563 tors. eta vs tors. theta energy: -1.714 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: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1821.084144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.084144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.084144 (E_RNA) where: Base-Base interactions energy: -1225.874 where: short stacking energy: -535.306 Base-Backbone interact. energy: -1.932 local terms energy: -593.277561 where: bonds (distance) C4'-P energy: -100.940 bonds (distance) P-C4' energy: -115.366 flat angles C4'-P-C4' energy: -131.408 flat angles P-C4'-P energy: -88.251 tors. eta vs tors. theta energy: -157.313 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: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1711.549974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.549974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.549974 (E_RNA) where: Base-Base interactions energy: -1146.408 where: short stacking energy: -490.316 Base-Backbone interact. energy: -1.472 local terms energy: -563.669832 where: bonds (distance) C4'-P energy: -118.796 bonds (distance) P-C4' energy: -117.868 flat angles C4'-P-C4' energy: -107.619 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -141.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1524.970946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.970946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.970946 (E_RNA) where: Base-Base interactions energy: -1016.273 where: short stacking energy: -463.296 Base-Backbone interact. energy: -1.084 local terms energy: -507.614148 where: bonds (distance) C4'-P energy: -103.165 bonds (distance) P-C4' energy: -98.811 flat angles C4'-P-C4' energy: -114.708 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -116.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1479.033130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.033130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.033130 (E_RNA) where: Base-Base interactions energy: -974.568 where: short stacking energy: -421.722 Base-Backbone interact. energy: -2.008 local terms energy: -502.457570 where: bonds (distance) C4'-P energy: -114.200 bonds (distance) P-C4' energy: -93.892 flat angles C4'-P-C4' energy: -95.434 flat angles P-C4'-P energy: -74.111 tors. eta vs tors. theta energy: -124.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1270.098913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.098913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.098913 (E_RNA) where: Base-Base interactions energy: -821.844 where: short stacking energy: -380.778 Base-Backbone interact. energy: -3.764 local terms energy: -444.490747 where: bonds (distance) C4'-P energy: -85.600 bonds (distance) P-C4' energy: -96.834 flat angles C4'-P-C4' energy: -95.565 flat angles P-C4'-P energy: -67.284 tors. eta vs tors. theta energy: -99.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1198.645911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.645911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.645911 (E_RNA) where: Base-Base interactions energy: -761.127 where: short stacking energy: -357.075 Base-Backbone interact. energy: -3.273 local terms energy: -434.246094 where: bonds (distance) C4'-P energy: -96.912 bonds (distance) P-C4' energy: -103.840 flat angles C4'-P-C4' energy: -103.124 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -73.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1001.514995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.514995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.514995 (E_RNA) where: Base-Base interactions energy: -618.483 where: short stacking energy: -303.148 Base-Backbone interact. energy: -0.074 local terms energy: -382.957609 where: bonds (distance) C4'-P energy: -82.852 bonds (distance) P-C4' energy: -78.087 flat angles C4'-P-C4' energy: -105.235 flat angles P-C4'-P energy: -62.879 tors. eta vs tors. theta energy: -53.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -808.834051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.834051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.834051 (E_RNA) where: Base-Base interactions energy: -464.275 where: short stacking energy: -252.581 Base-Backbone interact. energy: -1.180 local terms energy: -343.379240 where: bonds (distance) C4'-P energy: -73.728 bonds (distance) P-C4' energy: -89.345 flat angles C4'-P-C4' energy: -85.159 flat angles P-C4'-P energy: -54.228 tors. eta vs tors. theta energy: -40.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -606.984848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.984848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.984848 (E_RNA) where: Base-Base interactions energy: -260.877 where: short stacking energy: -168.869 Base-Backbone interact. energy: 0.623 local terms energy: -346.731170 where: bonds (distance) C4'-P energy: -109.682 bonds (distance) P-C4' energy: -98.122 flat angles C4'-P-C4' energy: -97.542 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -558.201305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.201305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.201305 (E_RNA) where: Base-Base interactions energy: -251.769 where: short stacking energy: -147.379 Base-Backbone interact. energy: -1.506 local terms energy: -304.926180 where: bonds (distance) C4'-P energy: -92.110 bonds (distance) P-C4' energy: -79.495 flat angles C4'-P-C4' energy: -92.468 flat angles P-C4'-P energy: -43.842 tors. eta vs tors. theta energy: 2.988 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: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1830.188879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.188879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.188879 (E_RNA) where: Base-Base interactions energy: -1237.688 where: short stacking energy: -564.782 Base-Backbone interact. energy: -4.581 local terms energy: -587.919401 where: bonds (distance) C4'-P energy: -118.410 bonds (distance) P-C4' energy: -113.457 flat angles C4'-P-C4' energy: -122.134 flat angles P-C4'-P energy: -79.130 tors. eta vs tors. theta energy: -154.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1705.391768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.391768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.391768 (E_RNA) where: Base-Base interactions energy: -1148.592 where: short stacking energy: -540.661 Base-Backbone interact. energy: 0.034 local terms energy: -556.833760 where: bonds (distance) C4'-P energy: -109.995 bonds (distance) P-C4' energy: -114.241 flat angles C4'-P-C4' energy: -117.253 flat angles P-C4'-P energy: -70.286 tors. eta vs tors. theta energy: -145.059 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: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1542.798362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.798362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.798362 (E_RNA) where: Base-Base interactions energy: -1031.912 where: short stacking energy: -448.383 Base-Backbone interact. energy: -3.897 local terms energy: -506.989110 where: bonds (distance) C4'-P energy: -90.660 bonds (distance) P-C4' energy: -113.341 flat angles C4'-P-C4' energy: -116.002 flat angles P-C4'-P energy: -80.180 tors. eta vs tors. theta energy: -106.806 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: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1443.319249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.319249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.319249 (E_RNA) where: Base-Base interactions energy: -959.524 where: short stacking energy: -424.125 Base-Backbone interact. energy: -1.823 local terms energy: -481.971590 where: bonds (distance) C4'-P energy: -82.467 bonds (distance) P-C4' energy: -104.258 flat angles C4'-P-C4' energy: -105.687 flat angles P-C4'-P energy: -66.745 tors. eta vs tors. theta energy: -122.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1321.968745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.968745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.968745 (E_RNA) where: Base-Base interactions energy: -855.295 where: short stacking energy: -419.901 Base-Backbone interact. energy: -1.416 local terms energy: -465.257168 where: bonds (distance) C4'-P energy: -87.900 bonds (distance) P-C4' energy: -107.931 flat angles C4'-P-C4' energy: -96.051 flat angles P-C4'-P energy: -70.552 tors. eta vs tors. theta energy: -102.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1199.177668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.177668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.177668 (E_RNA) where: Base-Base interactions energy: -771.829 where: short stacking energy: -354.001 Base-Backbone interact. energy: -1.496 local terms energy: -425.852282 where: bonds (distance) C4'-P energy: -79.185 bonds (distance) P-C4' energy: -105.535 flat angles C4'-P-C4' energy: -96.491 flat angles P-C4'-P energy: -56.302 tors. eta vs tors. theta energy: -88.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -931.141817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.141817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.141817 (E_RNA) where: Base-Base interactions energy: -586.975 where: short stacking energy: -301.413 Base-Backbone interact. energy: -1.596 local terms energy: -342.571068 where: bonds (distance) C4'-P energy: -84.138 bonds (distance) P-C4' energy: -93.178 flat angles C4'-P-C4' energy: -83.006 flat angles P-C4'-P energy: -41.226 tors. eta vs tors. theta energy: -41.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -800.576900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.576900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.576900 (E_RNA) where: Base-Base interactions energy: -434.812 where: short stacking energy: -229.651 Base-Backbone interact. energy: -0.929 local terms energy: -364.835375 where: bonds (distance) C4'-P energy: -84.271 bonds (distance) P-C4' energy: -95.545 flat angles C4'-P-C4' energy: -94.037 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: -24.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -606.778527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.778527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.778527 (E_RNA) where: Base-Base interactions energy: -282.823 where: short stacking energy: -185.130 Base-Backbone interact. energy: 1.230 local terms energy: -325.185146 where: bonds (distance) C4'-P energy: -86.795 bonds (distance) P-C4' energy: -89.859 flat angles C4'-P-C4' energy: -93.507 flat angles P-C4'-P energy: -54.402 tors. eta vs tors. theta energy: -0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -615.678833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.678833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.678833 (E_RNA) where: Base-Base interactions energy: -271.297 where: short stacking energy: -153.365 Base-Backbone interact. energy: -2.325 local terms energy: -342.057413 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -108.218 flat angles C4'-P-C4' energy: -86.594 flat angles P-C4'-P energy: -52.527 tors. eta vs tors. theta energy: -6.976 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: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1827.724402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.724402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.724402 (E_RNA) where: Base-Base interactions energy: -1265.642 where: short stacking energy: -570.338 Base-Backbone interact. energy: -1.929 local terms energy: -560.152622 where: bonds (distance) C4'-P energy: -101.575 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -120.900 flat angles P-C4'-P energy: -85.030 tors. eta vs tors. theta energy: -157.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1691.716080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.716080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.716080 (E_RNA) where: Base-Base interactions energy: -1147.187 where: short stacking energy: -547.204 Base-Backbone interact. energy: -1.722 local terms energy: -542.807354 where: bonds (distance) C4'-P energy: -105.642 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -109.914 flat angles P-C4'-P energy: -77.728 tors. eta vs tors. theta energy: -156.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1548.308854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.308854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.308854 (E_RNA) where: Base-Base interactions energy: -1050.973 where: short stacking energy: -457.625 Base-Backbone interact. energy: -0.761 local terms energy: -496.574886 where: bonds (distance) C4'-P energy: -91.367 bonds (distance) P-C4' energy: -109.848 flat angles C4'-P-C4' energy: -115.668 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -108.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1437.069485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.069485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.069485 (E_RNA) where: Base-Base interactions energy: -935.083 where: short stacking energy: -409.317 Base-Backbone interact. energy: -2.270 local terms energy: -499.716215 where: bonds (distance) C4'-P energy: -103.329 bonds (distance) P-C4' energy: -98.789 flat angles C4'-P-C4' energy: -114.062 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -111.104 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: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1365.461144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.461144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.461144 (E_RNA) where: Base-Base interactions energy: -866.655 where: short stacking energy: -414.133 Base-Backbone interact. energy: -4.887 local terms energy: -493.919335 where: bonds (distance) C4'-P energy: -103.357 bonds (distance) P-C4' energy: -107.483 flat angles C4'-P-C4' energy: -115.303 flat angles P-C4'-P energy: -59.973 tors. eta vs tors. theta energy: -107.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1208.324504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.324504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.324504 (E_RNA) where: Base-Base interactions energy: -768.846 where: short stacking energy: -362.741 Base-Backbone interact. energy: -3.357 local terms energy: -436.120950 where: bonds (distance) C4'-P energy: -96.643 bonds (distance) P-C4' energy: -104.752 flat angles C4'-P-C4' energy: -115.846 flat angles P-C4'-P energy: -39.646 tors. eta vs tors. theta energy: -79.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -925.344704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.344704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.344704 (E_RNA) where: Base-Base interactions energy: -582.037 where: short stacking energy: -278.345 Base-Backbone interact. energy: 0.099 local terms energy: -343.406502 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -95.403 flat angles C4'-P-C4' energy: -87.616 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -40.278 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: 10 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -819.312801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.312801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.312801 (E_RNA) where: Base-Base interactions energy: -430.633 where: short stacking energy: -212.573 Base-Backbone interact. energy: -2.142 local terms energy: -386.537882 where: bonds (distance) C4'-P energy: -101.594 bonds (distance) P-C4' energy: -97.169 flat angles C4'-P-C4' energy: -94.310 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -38.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -634.159209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.159209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.159209 (E_RNA) where: Base-Base interactions energy: -287.353 where: short stacking energy: -202.274 Base-Backbone interact. energy: 3.427 local terms energy: -350.232687 where: bonds (distance) C4'-P energy: -91.823 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -88.224 flat angles P-C4'-P energy: -43.937 tors. eta vs tors. theta energy: -14.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -607.439281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.439281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.439281 (E_RNA) where: Base-Base interactions energy: -315.419 where: short stacking energy: -176.358 Base-Backbone interact. energy: -1.713 local terms energy: -290.307568 where: bonds (distance) C4'-P energy: -83.386 bonds (distance) P-C4' energy: -83.712 flat angles C4'-P-C4' energy: -82.383 flat angles P-C4'-P energy: -24.331 tors. eta vs tors. theta energy: -16.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1834.457794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.457794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.457794 (E_RNA) where: Base-Base interactions energy: -1245.103 where: short stacking energy: -554.807 Base-Backbone interact. energy: -4.479 local terms energy: -584.875906 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -112.651 flat angles C4'-P-C4' energy: -119.495 flat angles P-C4'-P energy: -82.725 tors. eta vs tors. theta energy: -163.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1696.828025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.828025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.828025 (E_RNA) where: Base-Base interactions energy: -1143.093 where: short stacking energy: -532.250 Base-Backbone interact. energy: -1.482 local terms energy: -552.253178 where: bonds (distance) C4'-P energy: -95.436 bonds (distance) P-C4' energy: -113.340 flat angles C4'-P-C4' energy: -115.663 flat angles P-C4'-P energy: -78.785 tors. eta vs tors. theta energy: -149.028 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: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1504.757735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.757735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.757735 (E_RNA) where: Base-Base interactions energy: -1000.588 where: short stacking energy: -435.279 Base-Backbone interact. energy: 2.511 local terms energy: -506.680249 where: bonds (distance) C4'-P energy: -105.983 bonds (distance) P-C4' energy: -101.954 flat angles C4'-P-C4' energy: -114.419 flat angles P-C4'-P energy: -76.087 tors. eta vs tors. theta energy: -108.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1492.379559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.379559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.379559 (E_RNA) where: Base-Base interactions energy: -974.501 where: short stacking energy: -440.875 Base-Backbone interact. energy: -2.776 local terms energy: -515.102994 where: bonds (distance) C4'-P energy: -101.977 bonds (distance) P-C4' energy: -106.747 flat angles C4'-P-C4' energy: -113.222 flat angles P-C4'-P energy: -71.508 tors. eta vs tors. theta energy: -121.650 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: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1306.566564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.566564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.566564 (E_RNA) where: Base-Base interactions energy: -845.208 where: short stacking energy: -387.878 Base-Backbone interact. energy: -3.087 local terms energy: -458.272044 where: bonds (distance) C4'-P energy: -78.189 bonds (distance) P-C4' energy: -106.356 flat angles C4'-P-C4' energy: -116.240 flat angles P-C4'-P energy: -67.579 tors. eta vs tors. theta energy: -89.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1217.817755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.817755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.817755 (E_RNA) where: Base-Base interactions energy: -776.303 where: short stacking energy: -352.807 Base-Backbone interact. energy: -0.922 local terms energy: -440.593018 where: bonds (distance) C4'-P energy: -99.172 bonds (distance) P-C4' energy: -103.748 flat angles C4'-P-C4' energy: -105.869 flat angles P-C4'-P energy: -63.145 tors. eta vs tors. theta energy: -68.659 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: 411 Temperature: 1.200000 Total energy: -1023.012544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.012544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.012544 (E_RNA) where: Base-Base interactions energy: -602.258 where: short stacking energy: -302.993 Base-Backbone interact. energy: -2.071 local terms energy: -418.683496 where: bonds (distance) C4'-P energy: -109.087 bonds (distance) P-C4' energy: -110.743 flat angles C4'-P-C4' energy: -94.963 flat angles P-C4'-P energy: -51.896 tors. eta vs tors. theta energy: -51.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -864.024559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.024559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.024559 (E_RNA) where: Base-Base interactions energy: -482.089 where: short stacking energy: -261.259 Base-Backbone interact. energy: -0.526 local terms energy: -381.409276 where: bonds (distance) C4'-P energy: -80.388 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -99.702 flat angles P-C4'-P energy: -59.372 tors. eta vs tors. theta energy: -47.490 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: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -645.910143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.910143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.910143 (E_RNA) where: Base-Base interactions energy: -332.416 where: short stacking energy: -173.090 Base-Backbone interact. energy: 0.849 local terms energy: -314.343654 where: bonds (distance) C4'-P energy: -89.971 bonds (distance) P-C4' energy: -87.198 flat angles C4'-P-C4' energy: -81.865 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -2.441 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: 411 Temperature: 1.350000 Total energy: -588.037212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.037212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.037212 (E_RNA) where: Base-Base interactions energy: -284.232 where: short stacking energy: -187.288 Base-Backbone interact. energy: 1.986 local terms energy: -305.791370 where: bonds (distance) C4'-P energy: -93.787 bonds (distance) P-C4' energy: -87.081 flat angles C4'-P-C4' energy: -72.807 flat angles P-C4'-P energy: -38.065 tors. eta vs tors. theta energy: -14.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1845.972738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.972738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.972738 (E_RNA) where: Base-Base interactions energy: -1233.227 where: short stacking energy: -556.002 Base-Backbone interact. energy: 0.711 local terms energy: -613.456630 where: bonds (distance) C4'-P energy: -113.811 bonds (distance) P-C4' energy: -114.897 flat angles C4'-P-C4' energy: -129.967 flat angles P-C4'-P energy: -89.039 tors. eta vs tors. theta energy: -165.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1665.097138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.097138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.097138 (E_RNA) where: Base-Base interactions energy: -1106.513 where: short stacking energy: -506.516 Base-Backbone interact. energy: -2.589 local terms energy: -555.994843 where: bonds (distance) C4'-P energy: -111.136 bonds (distance) P-C4' energy: -108.362 flat angles C4'-P-C4' energy: -122.139 flat angles P-C4'-P energy: -67.230 tors. eta vs tors. theta energy: -147.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1545.043227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.043227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.043227 (E_RNA) where: Base-Base interactions energy: -1019.751 where: short stacking energy: -447.128 Base-Backbone interact. energy: -4.597 local terms energy: -520.695391 where: bonds (distance) C4'-P energy: -97.402 bonds (distance) P-C4' energy: -100.965 flat angles C4'-P-C4' energy: -115.453 flat angles P-C4'-P energy: -83.536 tors. eta vs tors. theta energy: -123.341 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: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1462.494248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.494248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.494248 (E_RNA) where: Base-Base interactions energy: -984.847 where: short stacking energy: -408.165 Base-Backbone interact. energy: -3.570 local terms energy: -474.077605 where: bonds (distance) C4'-P energy: -98.655 bonds (distance) P-C4' energy: -107.093 flat angles C4'-P-C4' energy: -112.588 flat angles P-C4'-P energy: -61.685 tors. eta vs tors. theta energy: -94.056 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: 412 Temperature: 1.100000 Total energy: -1374.666389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.666389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.666389 (E_RNA) where: Base-Base interactions energy: -875.532 where: short stacking energy: -433.195 Base-Backbone interact. energy: -2.458 local terms energy: -496.676567 where: bonds (distance) C4'-P energy: -93.608 bonds (distance) P-C4' energy: -104.253 flat angles C4'-P-C4' energy: -103.884 flat angles P-C4'-P energy: -77.520 tors. eta vs tors. theta energy: -117.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1218.211438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.211438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.211438 (E_RNA) where: Base-Base interactions energy: -771.650 where: short stacking energy: -362.302 Base-Backbone interact. energy: -1.024 local terms energy: -445.537350 where: bonds (distance) C4'-P energy: -95.604 bonds (distance) P-C4' energy: -92.391 flat angles C4'-P-C4' energy: -101.054 flat angles P-C4'-P energy: -68.003 tors. eta vs tors. theta energy: -88.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1015.349503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.349503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.349503 (E_RNA) where: Base-Base interactions energy: -601.838 where: short stacking energy: -290.827 Base-Backbone interact. energy: 2.404 local terms energy: -415.914804 where: bonds (distance) C4'-P energy: -101.056 bonds (distance) P-C4' energy: -100.241 flat angles C4'-P-C4' energy: -99.696 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: -52.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -840.733189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.733189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.733189 (E_RNA) where: Base-Base interactions energy: -482.808 where: short stacking energy: -247.836 Base-Backbone interact. energy: 1.435 local terms energy: -359.359254 where: bonds (distance) C4'-P energy: -85.356 bonds (distance) P-C4' energy: -92.560 flat angles C4'-P-C4' energy: -93.357 flat angles P-C4'-P energy: -61.157 tors. eta vs tors. theta energy: -26.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -590.259346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.259346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.259346 (E_RNA) where: Base-Base interactions energy: -255.607 where: short stacking energy: -163.710 Base-Backbone interact. energy: 1.175 local terms energy: -335.827488 where: bonds (distance) C4'-P energy: -97.483 bonds (distance) P-C4' energy: -89.965 flat angles C4'-P-C4' energy: -90.791 flat angles P-C4'-P energy: -51.807 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -599.102078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.102078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.102078 (E_RNA) where: Base-Base interactions energy: -293.169 where: short stacking energy: -173.846 Base-Backbone interact. energy: -4.458 local terms energy: -301.475652 where: bonds (distance) C4'-P energy: -82.311 bonds (distance) P-C4' energy: -103.869 flat angles C4'-P-C4' energy: -78.052 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: 3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1838.857726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.857726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.857726 (E_RNA) where: Base-Base interactions energy: -1252.858 where: short stacking energy: -559.244 Base-Backbone interact. energy: 0.858 local terms energy: -586.857543 where: bonds (distance) C4'-P energy: -101.329 bonds (distance) P-C4' energy: -102.345 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -84.230 tors. eta vs tors. theta energy: -163.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1679.473763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.473763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.473763 (E_RNA) where: Base-Base interactions energy: -1130.262 where: short stacking energy: -529.402 Base-Backbone interact. energy: -3.950 local terms energy: -545.262623 where: bonds (distance) C4'-P energy: -113.986 bonds (distance) P-C4' energy: -97.004 flat angles C4'-P-C4' energy: -107.623 flat angles P-C4'-P energy: -81.409 tors. eta vs tors. theta energy: -145.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1567.635024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.635024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.635024 (E_RNA) where: Base-Base interactions energy: -1052.692 where: short stacking energy: -478.291 Base-Backbone interact. energy: -5.143 local terms energy: -509.800018 where: bonds (distance) C4'-P energy: -83.047 bonds (distance) P-C4' energy: -104.152 flat angles C4'-P-C4' energy: -121.760 flat angles P-C4'-P energy: -67.269 tors. eta vs tors. theta energy: -133.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1444.499963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.499963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.499963 (E_RNA) where: Base-Base interactions energy: -979.285 where: short stacking energy: -403.821 Base-Backbone interact. energy: -1.450 local terms energy: -463.765228 where: bonds (distance) C4'-P energy: -89.917 bonds (distance) P-C4' energy: -93.378 flat angles C4'-P-C4' energy: -104.214 flat angles P-C4'-P energy: -78.448 tors. eta vs tors. theta energy: -97.808 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: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1307.646101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.646101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.646101 (E_RNA) where: Base-Base interactions energy: -832.020 where: short stacking energy: -372.583 Base-Backbone interact. energy: -4.153 local terms energy: -471.473442 where: bonds (distance) C4'-P energy: -105.150 bonds (distance) P-C4' energy: -107.219 flat angles C4'-P-C4' energy: -94.716 flat angles P-C4'-P energy: -78.508 tors. eta vs tors. theta energy: -85.880 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: 413 Temperature: 1.150000 Total energy: -1218.555841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.555841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.555841 (E_RNA) where: Base-Base interactions energy: -776.847 where: short stacking energy: -347.952 Base-Backbone interact. energy: -0.401 local terms energy: -441.308514 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -104.615 flat angles C4'-P-C4' energy: -103.584 flat angles P-C4'-P energy: -57.811 tors. eta vs tors. theta energy: -74.254 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: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1059.572461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.572461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.572461 (E_RNA) where: Base-Base interactions energy: -670.066 where: short stacking energy: -317.427 Base-Backbone interact. energy: -0.004 local terms energy: -389.502630 where: bonds (distance) C4'-P energy: -102.974 bonds (distance) P-C4' energy: -87.341 flat angles C4'-P-C4' energy: -78.423 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -72.166 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: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -864.065957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.065957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.065957 (E_RNA) where: Base-Base interactions energy: -479.017 where: short stacking energy: -217.897 Base-Backbone interact. energy: -0.206 local terms energy: -384.843222 where: bonds (distance) C4'-P energy: -87.208 bonds (distance) P-C4' energy: -95.823 flat angles C4'-P-C4' energy: -94.587 flat angles P-C4'-P energy: -58.156 tors. eta vs tors. theta energy: -49.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -579.461916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.461916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.461916 (E_RNA) where: Base-Base interactions energy: -266.772 where: short stacking energy: -159.013 Base-Backbone interact. energy: -2.572 local terms energy: -310.118154 where: bonds (distance) C4'-P energy: -86.466 bonds (distance) P-C4' energy: -106.341 flat angles C4'-P-C4' energy: -73.320 flat angles P-C4'-P energy: -46.420 tors. eta vs tors. theta energy: 2.429 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: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -609.954063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.954063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.954063 (E_RNA) where: Base-Base interactions energy: -302.027 where: short stacking energy: -176.938 Base-Backbone interact. energy: 5.096 local terms energy: -313.023881 where: bonds (distance) C4'-P energy: -93.942 bonds (distance) P-C4' energy: -101.881 flat angles C4'-P-C4' energy: -75.695 flat angles P-C4'-P energy: -31.339 tors. eta vs tors. theta energy: -10.168 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: 414 Temperature: 0.900000 Total energy: -1811.062952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.062952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.062952 (E_RNA) where: Base-Base interactions energy: -1192.726 where: short stacking energy: -567.609 Base-Backbone interact. energy: -2.380 local terms energy: -615.957379 where: bonds (distance) C4'-P energy: -116.766 bonds (distance) P-C4' energy: -118.652 flat angles C4'-P-C4' energy: -131.809 flat angles P-C4'-P energy: -83.551 tors. eta vs tors. theta energy: -165.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1681.567939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.567939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.567939 (E_RNA) where: Base-Base interactions energy: -1141.008 where: short stacking energy: -539.754 Base-Backbone interact. energy: -1.896 local terms energy: -538.664681 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -111.044 flat angles C4'-P-C4' energy: -119.994 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -147.675 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1571.755027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.755027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.755027 (E_RNA) where: Base-Base interactions energy: -1043.268 where: short stacking energy: -456.120 Base-Backbone interact. energy: -1.432 local terms energy: -527.054959 where: bonds (distance) C4'-P energy: -107.028 bonds (distance) P-C4' energy: -109.503 flat angles C4'-P-C4' energy: -109.763 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -121.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1412.384130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.384130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.384130 (E_RNA) where: Base-Base interactions energy: -925.487 where: short stacking energy: -431.550 Base-Backbone interact. energy: -3.005 local terms energy: -483.891687 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -113.533 flat angles C4'-P-C4' energy: -115.316 flat angles P-C4'-P energy: -77.627 tors. eta vs tors. theta energy: -102.080 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: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1283.810508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.810508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.810508 (E_RNA) where: Base-Base interactions energy: -836.498 where: short stacking energy: -377.982 Base-Backbone interact. energy: -1.551 local terms energy: -445.761582 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -101.257 flat angles C4'-P-C4' energy: -95.107 flat angles P-C4'-P energy: -61.327 tors. eta vs tors. theta energy: -98.178 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: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1278.429215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.429215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.429215 (E_RNA) where: Base-Base interactions energy: -834.822 where: short stacking energy: -393.502 Base-Backbone interact. energy: 1.198 local terms energy: -444.805987 where: bonds (distance) C4'-P energy: -98.922 bonds (distance) P-C4' energy: -99.957 flat angles C4'-P-C4' energy: -109.188 flat angles P-C4'-P energy: -48.568 tors. eta vs tors. theta energy: -88.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1119.765795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.765795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.765795 (E_RNA) where: Base-Base interactions energy: -724.740 where: short stacking energy: -341.035 Base-Backbone interact. energy: -2.037 local terms energy: -392.989232 where: bonds (distance) C4'-P energy: -78.683 bonds (distance) P-C4' energy: -104.765 flat angles C4'-P-C4' energy: -94.227 flat angles P-C4'-P energy: -50.560 tors. eta vs tors. theta energy: -64.755 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: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -853.637493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.637493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.637493 (E_RNA) where: Base-Base interactions energy: -470.617 where: short stacking energy: -241.404 Base-Backbone interact. energy: -2.208 local terms energy: -380.813126 where: bonds (distance) C4'-P energy: -98.729 bonds (distance) P-C4' energy: -103.891 flat angles C4'-P-C4' energy: -89.491 flat angles P-C4'-P energy: -44.794 tors. eta vs tors. theta energy: -43.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -635.430585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.430585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.430585 (E_RNA) where: Base-Base interactions energy: -305.708 where: short stacking energy: -189.297 Base-Backbone interact. energy: 4.239 local terms energy: -333.960794 where: bonds (distance) C4'-P energy: -100.424 bonds (distance) P-C4' energy: -109.612 flat angles C4'-P-C4' energy: -83.342 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -559.073796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.073796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.073796 (E_RNA) where: Base-Base interactions energy: -254.002 where: short stacking energy: -170.195 Base-Backbone interact. energy: 0.926 local terms energy: -305.997852 where: bonds (distance) C4'-P energy: -87.985 bonds (distance) P-C4' energy: -82.860 flat angles C4'-P-C4' energy: -81.558 flat angles P-C4'-P energy: -55.735 tors. eta vs tors. theta energy: 2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1844.926994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.926994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.926994 (E_RNA) where: Base-Base interactions energy: -1249.273 where: short stacking energy: -563.714 Base-Backbone interact. energy: -2.086 local terms energy: -593.567678 where: bonds (distance) C4'-P energy: -110.235 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -116.045 flat angles P-C4'-P energy: -89.525 tors. eta vs tors. theta energy: -168.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1684.698947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.698947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.698947 (E_RNA) where: Base-Base interactions energy: -1120.724 where: short stacking energy: -520.675 Base-Backbone interact. energy: -3.128 local terms energy: -560.846683 where: bonds (distance) C4'-P energy: -115.782 bonds (distance) P-C4' energy: -102.229 flat angles C4'-P-C4' energy: -109.231 flat angles P-C4'-P energy: -87.267 tors. eta vs tors. theta energy: -146.337 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: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1571.982083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.982083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.982083 (E_RNA) where: Base-Base interactions energy: -1067.764 where: short stacking energy: -457.209 Base-Backbone interact. energy: -4.543 local terms energy: -499.674519 where: bonds (distance) C4'-P energy: -97.491 bonds (distance) P-C4' energy: -103.095 flat angles C4'-P-C4' energy: -113.289 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -112.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1416.518344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.518344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.518344 (E_RNA) where: Base-Base interactions energy: -947.899 where: short stacking energy: -421.489 Base-Backbone interact. energy: -3.882 local terms energy: -464.737244 where: bonds (distance) C4'-P energy: -89.836 bonds (distance) P-C4' energy: -101.332 flat angles C4'-P-C4' energy: -103.102 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -105.355 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: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1294.307059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.307059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.307059 (E_RNA) where: Base-Base interactions energy: -831.322 where: short stacking energy: -412.109 Base-Backbone interact. energy: -0.588 local terms energy: -462.396960 where: bonds (distance) C4'-P energy: -77.031 bonds (distance) P-C4' energy: -103.208 flat angles C4'-P-C4' energy: -112.881 flat angles P-C4'-P energy: -65.139 tors. eta vs tors. theta energy: -104.138 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: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1244.528899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.528899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.528899 (E_RNA) where: Base-Base interactions energy: -816.033 where: short stacking energy: -366.127 Base-Backbone interact. energy: 1.034 local terms energy: -429.529296 where: bonds (distance) C4'-P energy: -97.570 bonds (distance) P-C4' energy: -86.603 flat angles C4'-P-C4' energy: -96.619 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -89.827 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: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1114.528133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.528133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.528133 (E_RNA) where: Base-Base interactions energy: -711.400 where: short stacking energy: -323.071 Base-Backbone interact. energy: -0.719 local terms energy: -402.409494 where: bonds (distance) C4'-P energy: -94.317 bonds (distance) P-C4' energy: -92.289 flat angles C4'-P-C4' energy: -93.601 flat angles P-C4'-P energy: -64.708 tors. eta vs tors. theta energy: -57.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -781.314040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.314040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.314040 (E_RNA) where: Base-Base interactions energy: -431.484 where: short stacking energy: -225.294 Base-Backbone interact. energy: -0.451 local terms energy: -349.379715 where: bonds (distance) C4'-P energy: -90.824 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -78.643 flat angles P-C4'-P energy: -65.034 tors. eta vs tors. theta energy: -23.546 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: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -602.184954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.184954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.184954 (E_RNA) where: Base-Base interactions energy: -294.781 where: short stacking energy: -201.036 Base-Backbone interact. energy: -0.593 local terms energy: -306.811673 where: bonds (distance) C4'-P energy: -68.130 bonds (distance) P-C4' energy: -78.837 flat angles C4'-P-C4' energy: -89.882 flat angles P-C4'-P energy: -40.921 tors. eta vs tors. theta energy: -29.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -561.623632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.623632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.623632 (E_RNA) where: Base-Base interactions energy: -260.627 where: short stacking energy: -146.659 Base-Backbone interact. energy: -1.381 local terms energy: -299.616210 where: bonds (distance) C4'-P energy: -85.048 bonds (distance) P-C4' energy: -98.594 flat angles C4'-P-C4' energy: -81.150 flat angles P-C4'-P energy: -43.957 tors. eta vs tors. theta energy: 9.133 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: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1786.902692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.902692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.902692 (E_RNA) where: Base-Base interactions energy: -1192.070 where: short stacking energy: -551.605 Base-Backbone interact. energy: -3.200 local terms energy: -591.632908 where: bonds (distance) C4'-P energy: -114.010 bonds (distance) P-C4' energy: -105.218 flat angles C4'-P-C4' energy: -127.705 flat angles P-C4'-P energy: -86.749 tors. eta vs tors. theta energy: -157.950 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: 416 Temperature: 0.950000 Total energy: -1680.269164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.269164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.269164 (E_RNA) where: Base-Base interactions energy: -1119.440 where: short stacking energy: -498.476 Base-Backbone interact. energy: -1.691 local terms energy: -559.138339 where: bonds (distance) C4'-P energy: -99.796 bonds (distance) P-C4' energy: -103.926 flat angles C4'-P-C4' energy: -117.707 flat angles P-C4'-P energy: -94.655 tors. eta vs tors. theta energy: -143.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1552.180491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.180491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.180491 (E_RNA) where: Base-Base interactions energy: -1044.361 where: short stacking energy: -452.315 Base-Backbone interact. energy: -2.469 local terms energy: -505.350540 where: bonds (distance) C4'-P energy: -93.930 bonds (distance) P-C4' energy: -109.299 flat angles C4'-P-C4' energy: -119.846 flat angles P-C4'-P energy: -60.446 tors. eta vs tors. theta energy: -121.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1405.805412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.805412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.805412 (E_RNA) where: Base-Base interactions energy: -902.535 where: short stacking energy: -422.315 Base-Backbone interact. energy: -4.692 local terms energy: -498.578451 where: bonds (distance) C4'-P energy: -89.806 bonds (distance) P-C4' energy: -114.272 flat angles C4'-P-C4' energy: -112.843 flat angles P-C4'-P energy: -76.805 tors. eta vs tors. theta energy: -104.853 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: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1337.383746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.383746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.383746 (E_RNA) where: Base-Base interactions energy: -884.994 where: short stacking energy: -387.604 Base-Backbone interact. energy: -2.101 local terms energy: -450.288757 where: bonds (distance) C4'-P energy: -90.658 bonds (distance) P-C4' energy: -111.533 flat angles C4'-P-C4' energy: -100.462 flat angles P-C4'-P energy: -54.253 tors. eta vs tors. theta energy: -93.383 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1261.429441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.429441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.429441 (E_RNA) where: Base-Base interactions energy: -815.576 where: short stacking energy: -378.820 Base-Backbone interact. energy: -3.476 local terms energy: -442.376909 where: bonds (distance) C4'-P energy: -90.481 bonds (distance) P-C4' energy: -93.057 flat angles C4'-P-C4' energy: -106.412 flat angles P-C4'-P energy: -64.059 tors. eta vs tors. theta energy: -88.369 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: 416 Temperature: 1.200000 Total energy: -1108.906005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.906005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.906005 (E_RNA) where: Base-Base interactions energy: -711.173 where: short stacking energy: -323.904 Base-Backbone interact. energy: -3.058 local terms energy: -394.675002 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -90.725 flat angles C4'-P-C4' energy: -82.599 flat angles P-C4'-P energy: -58.676 tors. eta vs tors. theta energy: -68.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -746.068636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.068636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.068636 (E_RNA) where: Base-Base interactions energy: -428.473 where: short stacking energy: -227.574 Base-Backbone interact. energy: -3.518 local terms energy: -314.077375 where: bonds (distance) C4'-P energy: -90.342 bonds (distance) P-C4' energy: -84.650 flat angles C4'-P-C4' energy: -86.844 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -12.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -613.690832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.690832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.690832 (E_RNA) where: Base-Base interactions energy: -297.827 where: short stacking energy: -200.042 Base-Backbone interact. energy: -1.716 local terms energy: -314.148010 where: bonds (distance) C4'-P energy: -88.297 bonds (distance) P-C4' energy: -92.542 flat angles C4'-P-C4' energy: -67.434 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -20.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -563.564226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.564226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.564226 (E_RNA) where: Base-Base interactions energy: -284.382 where: short stacking energy: -193.476 Base-Backbone interact. energy: -0.033 local terms energy: -279.148539 where: bonds (distance) C4'-P energy: -81.941 bonds (distance) P-C4' energy: -91.261 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -30.310 tors. eta vs tors. theta energy: -4.747 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: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1807.389358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.389358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.389358 (E_RNA) where: Base-Base interactions energy: -1226.772 where: short stacking energy: -551.069 Base-Backbone interact. energy: 1.008 local terms energy: -581.625907 where: bonds (distance) C4'-P energy: -100.360 bonds (distance) P-C4' energy: -111.220 flat angles C4'-P-C4' energy: -123.682 flat angles P-C4'-P energy: -83.963 tors. eta vs tors. theta energy: -162.401 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: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1671.512301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.512301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.512301 (E_RNA) where: Base-Base interactions energy: -1112.521 where: short stacking energy: -489.971 Base-Backbone interact. energy: -0.548 local terms energy: -558.443525 where: bonds (distance) C4'-P energy: -113.698 bonds (distance) P-C4' energy: -105.063 flat angles C4'-P-C4' energy: -114.075 flat angles P-C4'-P energy: -80.972 tors. eta vs tors. theta energy: -144.636 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: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1577.329397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.329397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.329397 (E_RNA) where: Base-Base interactions energy: -1062.839 where: short stacking energy: -450.705 Base-Backbone interact. energy: -0.933 local terms energy: -513.556929 where: bonds (distance) C4'-P energy: -103.543 bonds (distance) P-C4' energy: -86.851 flat angles C4'-P-C4' energy: -114.074 flat angles P-C4'-P energy: -80.759 tors. eta vs tors. theta energy: -128.330 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: 417 Temperature: 1.050000 Total energy: -1402.893947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.893947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.893947 (E_RNA) where: Base-Base interactions energy: -916.270 where: short stacking energy: -432.003 Base-Backbone interact. energy: -3.753 local terms energy: -482.871022 where: bonds (distance) C4'-P energy: -89.061 bonds (distance) P-C4' energy: -111.225 flat angles C4'-P-C4' energy: -104.426 flat angles P-C4'-P energy: -72.891 tors. eta vs tors. theta energy: -105.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1381.829094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.829094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.829094 (E_RNA) where: Base-Base interactions energy: -899.529 where: short stacking energy: -420.697 Base-Backbone interact. energy: -3.352 local terms energy: -478.948233 where: bonds (distance) C4'-P energy: -96.812 bonds (distance) P-C4' energy: -101.466 flat angles C4'-P-C4' energy: -111.771 flat angles P-C4'-P energy: -67.268 tors. eta vs tors. theta energy: -101.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1286.551699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.551699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.551699 (E_RNA) where: Base-Base interactions energy: -843.420 where: short stacking energy: -371.620 Base-Backbone interact. energy: -1.294 local terms energy: -441.837595 where: bonds (distance) C4'-P energy: -86.859 bonds (distance) P-C4' energy: -101.369 flat angles C4'-P-C4' energy: -102.437 flat angles P-C4'-P energy: -59.529 tors. eta vs tors. theta energy: -91.644 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: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1122.010796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.010796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.010796 (E_RNA) where: Base-Base interactions energy: -696.469 where: short stacking energy: -343.171 Base-Backbone interact. energy: 1.743 local terms energy: -427.285211 where: bonds (distance) C4'-P energy: -93.525 bonds (distance) P-C4' energy: -110.041 flat angles C4'-P-C4' energy: -85.342 flat angles P-C4'-P energy: -67.761 tors. eta vs tors. theta energy: -70.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -631.763551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.763551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.763551 (E_RNA) where: Base-Base interactions energy: -271.478 where: short stacking energy: -153.915 Base-Backbone interact. energy: -3.079 local terms energy: -357.206506 where: bonds (distance) C4'-P energy: -96.482 bonds (distance) P-C4' energy: -105.147 flat angles C4'-P-C4' energy: -92.880 flat angles P-C4'-P energy: -49.596 tors. eta vs tors. theta energy: -13.102 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: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -789.879851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.879851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.879851 (E_RNA) where: Base-Base interactions energy: -442.190 where: short stacking energy: -229.123 Base-Backbone interact. energy: 7.032 local terms energy: -354.721536 where: bonds (distance) C4'-P energy: -91.205 bonds (distance) P-C4' energy: -99.193 flat angles C4'-P-C4' energy: -84.800 flat angles P-C4'-P energy: -53.209 tors. eta vs tors. theta energy: -26.315 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: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -581.617297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.617297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.617297 (E_RNA) where: Base-Base interactions energy: -254.572 where: short stacking energy: -137.515 Base-Backbone interact. energy: -2.677 local terms energy: -324.367895 where: bonds (distance) C4'-P energy: -102.169 bonds (distance) P-C4' energy: -90.464 flat angles C4'-P-C4' energy: -82.647 flat angles P-C4'-P energy: -50.690 tors. eta vs tors. theta energy: 1.602 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: 418 Temperature: 0.900000 Total energy: -1807.805367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.805367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.805367 (E_RNA) where: Base-Base interactions energy: -1219.979 where: short stacking energy: -542.468 Base-Backbone interact. energy: -2.418 local terms energy: -585.407521 where: bonds (distance) C4'-P energy: -109.829 bonds (distance) P-C4' energy: -114.594 flat angles C4'-P-C4' energy: -124.105 flat angles P-C4'-P energy: -79.848 tors. eta vs tors. theta energy: -157.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1674.903336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.903336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.903336 (E_RNA) where: Base-Base interactions energy: -1111.820 where: short stacking energy: -527.826 Base-Backbone interact. energy: 0.639 local terms energy: -563.723201 where: bonds (distance) C4'-P energy: -111.024 bonds (distance) P-C4' energy: -109.518 flat angles C4'-P-C4' energy: -121.302 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -145.718 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: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1549.113215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.113215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.113215 (E_RNA) where: Base-Base interactions energy: -1047.850 where: short stacking energy: -459.771 Base-Backbone interact. energy: -6.641 local terms energy: -494.622990 where: bonds (distance) C4'-P energy: -101.085 bonds (distance) P-C4' energy: -93.778 flat angles C4'-P-C4' energy: -99.604 flat angles P-C4'-P energy: -75.536 tors. eta vs tors. theta energy: -124.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1380.160568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.160568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.160568 (E_RNA) where: Base-Base interactions energy: -915.927 where: short stacking energy: -407.987 Base-Backbone interact. energy: -2.078 local terms energy: -462.154851 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -101.992 flat angles C4'-P-C4' energy: -121.905 flat angles P-C4'-P energy: -68.808 tors. eta vs tors. theta energy: -90.742 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: 5, replica: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1344.460347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.460347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.460347 (E_RNA) where: Base-Base interactions energy: -894.580 where: short stacking energy: -398.358 Base-Backbone interact. energy: -0.899 local terms energy: -448.980877 where: bonds (distance) C4'-P energy: -80.824 bonds (distance) P-C4' energy: -113.663 flat angles C4'-P-C4' energy: -94.922 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -102.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1272.946387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.946387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.946387 (E_RNA) where: Base-Base interactions energy: -828.807 where: short stacking energy: -369.827 Base-Backbone interact. energy: -0.198 local terms energy: -443.941803 where: bonds (distance) C4'-P energy: -91.226 bonds (distance) P-C4' energy: -96.279 flat angles C4'-P-C4' energy: -98.506 flat angles P-C4'-P energy: -66.637 tors. eta vs tors. theta energy: -91.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1064.617538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.617538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.617538 (E_RNA) where: Base-Base interactions energy: -670.676 where: short stacking energy: -310.647 Base-Backbone interact. energy: -1.746 local terms energy: -392.195358 where: bonds (distance) C4'-P energy: -95.626 bonds (distance) P-C4' energy: -100.861 flat angles C4'-P-C4' energy: -99.776 flat angles P-C4'-P energy: -51.169 tors. eta vs tors. theta energy: -44.763 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: 418 Temperature: 1.250000 Total energy: -701.593063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.593063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.593063 (E_RNA) where: Base-Base interactions energy: -362.114 where: short stacking energy: -217.519 Base-Backbone interact. energy: -4.436 local terms energy: -335.042992 where: bonds (distance) C4'-P energy: -95.743 bonds (distance) P-C4' energy: -101.745 flat angles C4'-P-C4' energy: -91.710 flat angles P-C4'-P energy: -38.939 tors. eta vs tors. theta energy: -6.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -768.378999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.378999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.378999 (E_RNA) where: Base-Base interactions energy: -430.064 where: short stacking energy: -233.390 Base-Backbone interact. energy: 0.220 local terms energy: -338.535381 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -89.488 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -44.312 tors. eta vs tors. theta energy: -28.860 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: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -563.103849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.103849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.103849 (E_RNA) where: Base-Base interactions energy: -260.842 where: short stacking energy: -148.465 Base-Backbone interact. energy: -1.507 local terms energy: -300.754236 where: bonds (distance) C4'-P energy: -80.173 bonds (distance) P-C4' energy: -96.191 flat angles C4'-P-C4' energy: -73.474 flat angles P-C4'-P energy: -48.121 tors. eta vs tors. theta energy: -2.794 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: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1850.726637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.726637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.726637 (E_RNA) where: Base-Base interactions energy: -1255.407 where: short stacking energy: -538.006 Base-Backbone interact. energy: -2.051 local terms energy: -593.268610 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -107.029 flat angles C4'-P-C4' energy: -132.528 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -167.280 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: 419 Temperature: 0.950000 Total energy: -1661.978355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.978355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.978355 (E_RNA) where: Base-Base interactions energy: -1111.950 where: short stacking energy: -512.930 Base-Backbone interact. energy: -4.377 local terms energy: -545.651291 where: bonds (distance) C4'-P energy: -104.862 bonds (distance) P-C4' energy: -105.290 flat angles C4'-P-C4' energy: -112.564 flat angles P-C4'-P energy: -71.965 tors. eta vs tors. theta energy: -150.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1555.893827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.893827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.893827 (E_RNA) where: Base-Base interactions energy: -1034.982 where: short stacking energy: -472.066 Base-Backbone interact. energy: -3.547 local terms energy: -517.365307 where: bonds (distance) C4'-P energy: -97.948 bonds (distance) P-C4' energy: -101.218 flat angles C4'-P-C4' energy: -119.056 flat angles P-C4'-P energy: -78.015 tors. eta vs tors. theta energy: -121.128 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: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1430.621799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.621799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.621799 (E_RNA) where: Base-Base interactions energy: -945.474 where: short stacking energy: -426.458 Base-Backbone interact. energy: -1.088 local terms energy: -484.059720 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -102.074 flat angles C4'-P-C4' energy: -118.518 flat angles P-C4'-P energy: -72.399 tors. eta vs tors. theta energy: -101.431 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: 419 Temperature: 1.100000 Total energy: -1352.991689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.991689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.991689 (E_RNA) where: Base-Base interactions energy: -877.315 where: short stacking energy: -405.564 Base-Backbone interact. energy: -1.457 local terms energy: -474.219572 where: bonds (distance) C4'-P energy: -91.845 bonds (distance) P-C4' energy: -101.269 flat angles C4'-P-C4' energy: -108.490 flat angles P-C4'-P energy: -69.170 tors. eta vs tors. theta energy: -103.445 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: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1346.325382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.325382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.325382 (E_RNA) where: Base-Base interactions energy: -892.714 where: short stacking energy: -411.756 Base-Backbone interact. energy: -0.669 local terms energy: -452.942390 where: bonds (distance) C4'-P energy: -73.320 bonds (distance) P-C4' energy: -102.119 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -96.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1058.615007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.615007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.615007 (E_RNA) where: Base-Base interactions energy: -633.330 where: short stacking energy: -308.310 Base-Backbone interact. energy: 1.304 local terms energy: -426.589007 where: bonds (distance) C4'-P energy: -84.011 bonds (distance) P-C4' energy: -106.820 flat angles C4'-P-C4' energy: -96.001 flat angles P-C4'-P energy: -69.668 tors. eta vs tors. theta energy: -70.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -694.726567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.726567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.726567 (E_RNA) where: Base-Base interactions energy: -368.576 where: short stacking energy: -212.769 Base-Backbone interact. energy: 5.209 local terms energy: -331.360201 where: bonds (distance) C4'-P energy: -96.909 bonds (distance) P-C4' energy: -90.390 flat angles C4'-P-C4' energy: -93.065 flat angles P-C4'-P energy: -37.978 tors. eta vs tors. theta energy: -13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -699.144635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.144635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.144635 (E_RNA) where: Base-Base interactions energy: -377.917 where: short stacking energy: -198.893 Base-Backbone interact. energy: -2.332 local terms energy: -318.895890 where: bonds (distance) C4'-P energy: -91.824 bonds (distance) P-C4' energy: -92.779 flat angles C4'-P-C4' energy: -86.102 flat angles P-C4'-P energy: -30.337 tors. eta vs tors. theta energy: -17.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -557.110993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.110993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.110993 (E_RNA) where: Base-Base interactions energy: -260.821 where: short stacking energy: -157.159 Base-Backbone interact. energy: 2.682 local terms energy: -298.972091 where: bonds (distance) C4'-P energy: -92.961 bonds (distance) P-C4' energy: -90.383 flat angles C4'-P-C4' energy: -77.216 flat angles P-C4'-P energy: -36.926 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1874.871230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.871230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.871230 (E_RNA) where: Base-Base interactions energy: -1272.838 where: short stacking energy: -552.543 Base-Backbone interact. energy: 2.926 local terms energy: -604.959223 where: bonds (distance) C4'-P energy: -119.178 bonds (distance) P-C4' energy: -102.001 flat angles C4'-P-C4' energy: -129.984 flat angles P-C4'-P energy: -90.388 tors. eta vs tors. theta energy: -163.407 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: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1669.846591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.846591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.846591 (E_RNA) where: Base-Base interactions energy: -1115.382 where: short stacking energy: -518.914 Base-Backbone interact. energy: -3.889 local terms energy: -550.576286 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -107.202 flat angles C4'-P-C4' energy: -117.331 flat angles P-C4'-P energy: -73.702 tors. eta vs tors. theta energy: -152.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1559.567226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.567226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.567226 (E_RNA) where: Base-Base interactions energy: -1041.236 where: short stacking energy: -422.206 Base-Backbone interact. energy: -5.629 local terms energy: -512.702782 where: bonds (distance) C4'-P energy: -106.404 bonds (distance) P-C4' energy: -87.897 flat angles C4'-P-C4' energy: -118.568 flat angles P-C4'-P energy: -76.428 tors. eta vs tors. theta energy: -123.405 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: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1447.586469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.586469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.586469 (E_RNA) where: Base-Base interactions energy: -939.524 where: short stacking energy: -441.056 Base-Backbone interact. energy: -4.016 local terms energy: -504.046262 where: bonds (distance) C4'-P energy: -108.021 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -114.485 flat angles P-C4'-P energy: -76.339 tors. eta vs tors. theta energy: -108.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1400.032909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.032909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.032909 (E_RNA) where: Base-Base interactions energy: -907.082 where: short stacking energy: -410.851 Base-Backbone interact. energy: -2.465 local terms energy: -490.485658 where: bonds (distance) C4'-P energy: -96.871 bonds (distance) P-C4' energy: -109.698 flat angles C4'-P-C4' energy: -109.556 flat angles P-C4'-P energy: -67.320 tors. eta vs tors. theta energy: -107.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1282.974576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.974576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.974576 (E_RNA) where: Base-Base interactions energy: -834.596 where: short stacking energy: -381.253 Base-Backbone interact. energy: -2.112 local terms energy: -446.266722 where: bonds (distance) C4'-P energy: -97.051 bonds (distance) P-C4' energy: -100.325 flat angles C4'-P-C4' energy: -95.938 flat angles P-C4'-P energy: -55.602 tors. eta vs tors. theta energy: -97.350 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: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1030.285976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.285976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.285976 (E_RNA) where: Base-Base interactions energy: -607.720 where: short stacking energy: -292.604 Base-Backbone interact. energy: 1.917 local terms energy: -424.482465 where: bonds (distance) C4'-P energy: -101.392 bonds (distance) P-C4' energy: -99.137 flat angles C4'-P-C4' energy: -103.840 flat angles P-C4'-P energy: -74.677 tors. eta vs tors. theta energy: -45.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -711.183431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.183431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.183431 (E_RNA) where: Base-Base interactions energy: -375.999 where: short stacking energy: -192.961 Base-Backbone interact. energy: -0.525 local terms energy: -334.659632 where: bonds (distance) C4'-P energy: -93.021 bonds (distance) P-C4' energy: -92.782 flat angles C4'-P-C4' energy: -102.004 flat angles P-C4'-P energy: -36.794 tors. eta vs tors. theta energy: -10.059 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: 420 Temperature: 1.300000 Total energy: -695.661031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.661031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.661031 (E_RNA) where: Base-Base interactions energy: -343.036 where: short stacking energy: -192.837 Base-Backbone interact. energy: 2.876 local terms energy: -355.501200 where: bonds (distance) C4'-P energy: -85.215 bonds (distance) P-C4' energy: -112.303 flat angles C4'-P-C4' energy: -89.189 flat angles P-C4'-P energy: -38.488 tors. eta vs tors. theta energy: -30.307 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: 420 Temperature: 1.350000 Total energy: -573.975488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.975488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.975488 (E_RNA) where: Base-Base interactions energy: -252.016 where: short stacking energy: -134.891 Base-Backbone interact. energy: -1.294 local terms energy: -320.665635 where: bonds (distance) C4'-P energy: -81.299 bonds (distance) P-C4' energy: -94.283 flat angles C4'-P-C4' energy: -96.346 flat angles P-C4'-P energy: -46.587 tors. eta vs tors. theta energy: -2.151 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: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1857.260612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.260612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.260612 (E_RNA) where: Base-Base interactions energy: -1274.720 where: short stacking energy: -554.716 Base-Backbone interact. energy: -3.184 local terms energy: -579.357067 where: bonds (distance) C4'-P energy: -105.138 bonds (distance) P-C4' energy: -106.639 flat angles C4'-P-C4' energy: -133.926 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -159.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1704.801994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.801994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.801994 (E_RNA) where: Base-Base interactions energy: -1139.182 where: short stacking energy: -528.850 Base-Backbone interact. energy: -2.697 local terms energy: -562.923108 where: bonds (distance) C4'-P energy: -107.676 bonds (distance) P-C4' energy: -108.942 flat angles C4'-P-C4' energy: -116.639 flat angles P-C4'-P energy: -82.686 tors. eta vs tors. theta energy: -146.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1610.205809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.205809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.205809 (E_RNA) where: Base-Base interactions energy: -1083.273 where: short stacking energy: -478.672 Base-Backbone interact. energy: -1.515 local terms energy: -525.417326 where: bonds (distance) C4'-P energy: -103.107 bonds (distance) P-C4' energy: -109.020 flat angles C4'-P-C4' energy: -110.885 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -133.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1424.853776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.853776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.853776 (E_RNA) where: Base-Base interactions energy: -944.643 where: short stacking energy: -430.236 Base-Backbone interact. energy: 1.822 local terms energy: -482.032521 where: bonds (distance) C4'-P energy: -94.231 bonds (distance) P-C4' energy: -97.037 flat angles C4'-P-C4' energy: -107.532 flat angles P-C4'-P energy: -76.898 tors. eta vs tors. theta energy: -106.333 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: 5, replica: 3 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1376.489179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.489179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.489179 (E_RNA) where: Base-Base interactions energy: -924.683 where: short stacking energy: -415.991 Base-Backbone interact. energy: -2.686 local terms energy: -449.119917 where: bonds (distance) C4'-P energy: -85.845 bonds (distance) P-C4' energy: -83.038 flat angles C4'-P-C4' energy: -107.180 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: -106.348 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: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1261.944503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.944503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.944503 (E_RNA) where: Base-Base interactions energy: -811.613 where: short stacking energy: -349.190 Base-Backbone interact. energy: -1.828 local terms energy: -448.503618 where: bonds (distance) C4'-P energy: -89.755 bonds (distance) P-C4' energy: -99.713 flat angles C4'-P-C4' energy: -94.716 flat angles P-C4'-P energy: -60.438 tors. eta vs tors. theta energy: -103.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1057.808076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.808076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.808076 (E_RNA) where: Base-Base interactions energy: -681.425 where: short stacking energy: -320.420 Base-Backbone interact. energy: -1.373 local terms energy: -375.010938 where: bonds (distance) C4'-P energy: -84.128 bonds (distance) P-C4' energy: -96.401 flat angles C4'-P-C4' energy: -92.518 flat angles P-C4'-P energy: -41.168 tors. eta vs tors. theta energy: -60.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -736.490621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.490621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.490621 (E_RNA) where: Base-Base interactions energy: -390.908 where: short stacking energy: -242.224 Base-Backbone interact. energy: -2.109 local terms energy: -343.472894 where: bonds (distance) C4'-P energy: -81.880 bonds (distance) P-C4' energy: -93.885 flat angles C4'-P-C4' energy: -74.282 flat angles P-C4'-P energy: -63.540 tors. eta vs tors. theta energy: -29.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -662.272581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.272581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.272581 (E_RNA) where: Base-Base interactions energy: -359.752 where: short stacking energy: -201.843 Base-Backbone interact. energy: -1.020 local terms energy: -301.500099 where: bonds (distance) C4'-P energy: -55.104 bonds (distance) P-C4' energy: -89.715 flat angles C4'-P-C4' energy: -88.870 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -15.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -568.486719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.486719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.486719 (E_RNA) where: Base-Base interactions energy: -273.608 where: short stacking energy: -170.475 Base-Backbone interact. energy: -3.081 local terms energy: -291.797250 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -86.506 flat angles C4'-P-C4' energy: -74.772 flat angles P-C4'-P energy: -47.999 tors. eta vs tors. theta energy: 1.959 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: 422 Temperature: 0.900000 Total energy: -1852.208364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.208364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.208364 (E_RNA) where: Base-Base interactions energy: -1237.682 where: short stacking energy: -557.561 Base-Backbone interact. energy: -1.693 local terms energy: -612.833082 where: bonds (distance) C4'-P energy: -110.330 bonds (distance) P-C4' energy: -120.059 flat angles C4'-P-C4' energy: -132.480 flat angles P-C4'-P energy: -81.831 tors. eta vs tors. theta energy: -168.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1686.840130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.840130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.840130 (E_RNA) where: Base-Base interactions energy: -1130.283 where: short stacking energy: -525.089 Base-Backbone interact. energy: -2.426 local terms energy: -554.130923 where: bonds (distance) C4'-P energy: -100.580 bonds (distance) P-C4' energy: -99.995 flat angles C4'-P-C4' energy: -123.270 flat angles P-C4'-P energy: -84.077 tors. eta vs tors. theta energy: -146.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1627.194721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.194721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.194721 (E_RNA) where: Base-Base interactions energy: -1120.073 where: short stacking energy: -493.878 Base-Backbone interact. energy: -5.123 local terms energy: -501.998301 where: bonds (distance) C4'-P energy: -96.997 bonds (distance) P-C4' energy: -91.352 flat angles C4'-P-C4' energy: -118.749 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: -130.845 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: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1457.935849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.935849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.935849 (E_RNA) where: Base-Base interactions energy: -971.217 where: short stacking energy: -440.674 Base-Backbone interact. energy: -3.199 local terms energy: -483.519312 where: bonds (distance) C4'-P energy: -84.304 bonds (distance) P-C4' energy: -94.869 flat angles C4'-P-C4' energy: -117.753 flat angles P-C4'-P energy: -69.340 tors. eta vs tors. theta energy: -117.253 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: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1378.156923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.156923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.156923 (E_RNA) where: Base-Base interactions energy: -912.933 where: short stacking energy: -403.553 Base-Backbone interact. energy: -1.729 local terms energy: -463.494763 where: bonds (distance) C4'-P energy: -100.703 bonds (distance) P-C4' energy: -104.017 flat angles C4'-P-C4' energy: -107.299 flat angles P-C4'-P energy: -53.207 tors. eta vs tors. theta energy: -98.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1275.250593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.250593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.250593 (E_RNA) where: Base-Base interactions energy: -815.695 where: short stacking energy: -372.990 Base-Backbone interact. energy: -0.730 local terms energy: -458.826071 where: bonds (distance) C4'-P energy: -89.733 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -96.467 flat angles P-C4'-P energy: -73.318 tors. eta vs tors. theta energy: -89.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1090.074083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.074083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.074083 (E_RNA) where: Base-Base interactions energy: -675.668 where: short stacking energy: -326.940 Base-Backbone interact. energy: -1.363 local terms energy: -413.043433 where: bonds (distance) C4'-P energy: -97.978 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -86.824 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: -75.090 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: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -704.071151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.071151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.071151 (E_RNA) where: Base-Base interactions energy: -348.828 where: short stacking energy: -221.761 Base-Backbone interact. energy: 0.014 local terms energy: -355.256961 where: bonds (distance) C4'-P energy: -95.716 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -103.557 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -10.824 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: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -703.373686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.373686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.373686 (E_RNA) where: Base-Base interactions energy: -369.345 where: short stacking energy: -194.364 Base-Backbone interact. energy: -2.765 local terms energy: -331.263172 where: bonds (distance) C4'-P energy: -84.821 bonds (distance) P-C4' energy: -84.043 flat angles C4'-P-C4' energy: -76.200 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -14.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -534.960915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.960915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.960915 (E_RNA) where: Base-Base interactions energy: -265.318 where: short stacking energy: -163.996 Base-Backbone interact. energy: -2.009 local terms energy: -267.634075 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -78.998 flat angles C4'-P-C4' energy: -62.999 flat angles P-C4'-P energy: -24.009 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1859.073839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.073839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.073839 (E_RNA) where: Base-Base interactions energy: -1278.237 where: short stacking energy: -566.473 Base-Backbone interact. energy: -0.009 local terms energy: -580.827475 where: bonds (distance) C4'-P energy: -106.280 bonds (distance) P-C4' energy: -102.332 flat angles C4'-P-C4' energy: -131.015 flat angles P-C4'-P energy: -84.487 tors. eta vs tors. theta energy: -156.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1657.498320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.498320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.498320 (E_RNA) where: Base-Base interactions energy: -1100.297 where: short stacking energy: -510.436 Base-Backbone interact. energy: -0.568 local terms energy: -556.633053 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -104.374 flat angles C4'-P-C4' energy: -119.606 flat angles P-C4'-P energy: -79.822 tors. eta vs tors. theta energy: -145.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1598.408714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.408714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.408714 (E_RNA) where: Base-Base interactions energy: -1068.753 where: short stacking energy: -459.846 Base-Backbone interact. energy: -3.035 local terms energy: -526.620857 where: bonds (distance) C4'-P energy: -99.894 bonds (distance) P-C4' energy: -100.738 flat angles C4'-P-C4' energy: -123.211 flat angles P-C4'-P energy: -79.164 tors. eta vs tors. theta energy: -123.614 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: 4, replica: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1467.045202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.045202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.045202 (E_RNA) where: Base-Base interactions energy: -969.039 where: short stacking energy: -440.784 Base-Backbone interact. energy: -3.832 local terms energy: -494.174406 where: bonds (distance) C4'-P energy: -97.971 bonds (distance) P-C4' energy: -97.676 flat angles C4'-P-C4' energy: -106.518 flat angles P-C4'-P energy: -78.083 tors. eta vs tors. theta energy: -113.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1396.700455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.700455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.700455 (E_RNA) where: Base-Base interactions energy: -880.202 where: short stacking energy: -390.180 Base-Backbone interact. energy: -2.014 local terms energy: -514.484580 where: bonds (distance) C4'-P energy: -108.618 bonds (distance) P-C4' energy: -99.591 flat angles C4'-P-C4' energy: -113.416 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -112.557 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: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1223.246307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.246307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.246307 (E_RNA) where: Base-Base interactions energy: -787.968 where: short stacking energy: -374.609 Base-Backbone interact. energy: -0.698 local terms energy: -434.580477 where: bonds (distance) C4'-P energy: -75.539 bonds (distance) P-C4' energy: -103.087 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -98.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1022.977701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.977701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.977701 (E_RNA) where: Base-Base interactions energy: -598.773 where: short stacking energy: -311.894 Base-Backbone interact. energy: -0.358 local terms energy: -423.846963 where: bonds (distance) C4'-P energy: -93.706 bonds (distance) P-C4' energy: -106.303 flat angles C4'-P-C4' energy: -107.873 flat angles P-C4'-P energy: -47.931 tors. eta vs tors. theta energy: -68.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -806.440070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.440070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.440070 (E_RNA) where: Base-Base interactions energy: -423.939 where: short stacking energy: -210.553 Base-Backbone interact. energy: 2.788 local terms energy: -385.289343 where: bonds (distance) C4'-P energy: -110.509 bonds (distance) P-C4' energy: -114.767 flat angles C4'-P-C4' energy: -86.155 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -21.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -670.524139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.524139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.524139 (E_RNA) where: Base-Base interactions energy: -350.885 where: short stacking energy: -203.599 Base-Backbone interact. energy: 3.514 local terms energy: -323.153293 where: bonds (distance) C4'-P energy: -84.535 bonds (distance) P-C4' energy: -83.220 flat angles C4'-P-C4' energy: -85.414 flat angles P-C4'-P energy: -42.711 tors. eta vs tors. theta energy: -27.273 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: 423 Temperature: 1.350000 Total energy: -567.683640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.683640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.683640 (E_RNA) where: Base-Base interactions energy: -267.061 where: short stacking energy: -134.428 Base-Backbone interact. energy: -2.204 local terms energy: -298.418326 where: bonds (distance) C4'-P energy: -94.312 bonds (distance) P-C4' energy: -89.192 flat angles C4'-P-C4' energy: -66.663 flat angles P-C4'-P energy: -59.725 tors. eta vs tors. theta energy: 11.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1852.259259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.259259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.259259 (E_RNA) where: Base-Base interactions energy: -1256.078 where: short stacking energy: -554.370 Base-Backbone interact. energy: -0.502 local terms energy: -595.680074 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -117.626 flat angles C4'-P-C4' energy: -126.350 flat angles P-C4'-P energy: -79.665 tors. eta vs tors. theta energy: -152.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1672.080720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.080720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.080720 (E_RNA) where: Base-Base interactions energy: -1116.866 where: short stacking energy: -508.498 Base-Backbone interact. energy: -3.020 local terms energy: -552.195293 where: bonds (distance) C4'-P energy: -96.503 bonds (distance) P-C4' energy: -112.714 flat angles C4'-P-C4' energy: -115.633 flat angles P-C4'-P energy: -79.436 tors. eta vs tors. theta energy: -147.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1566.440172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.440172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.440172 (E_RNA) where: Base-Base interactions energy: -1040.376 where: short stacking energy: -457.400 Base-Backbone interact. energy: -3.904 local terms energy: -522.159972 where: bonds (distance) C4'-P energy: -98.462 bonds (distance) P-C4' energy: -111.220 flat angles C4'-P-C4' energy: -111.692 flat angles P-C4'-P energy: -72.780 tors. eta vs tors. theta energy: -128.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1469.261684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.261684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.261684 (E_RNA) where: Base-Base interactions energy: -979.691 where: short stacking energy: -447.943 Base-Backbone interact. energy: -0.651 local terms energy: -488.920065 where: bonds (distance) C4'-P energy: -89.374 bonds (distance) P-C4' energy: -101.953 flat angles C4'-P-C4' energy: -113.411 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -105.118 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: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1388.589530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.589530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.589530 (E_RNA) where: Base-Base interactions energy: -899.210 where: short stacking energy: -422.220 Base-Backbone interact. energy: 1.945 local terms energy: -491.323959 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -109.694 flat angles C4'-P-C4' energy: -117.928 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: -115.944 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: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1218.191205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.191205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.191205 (E_RNA) where: Base-Base interactions energy: -772.150 where: short stacking energy: -374.668 Base-Backbone interact. energy: 0.368 local terms energy: -446.409627 where: bonds (distance) C4'-P energy: -98.783 bonds (distance) P-C4' energy: -91.831 flat angles C4'-P-C4' energy: -99.693 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -91.231 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: 424 Temperature: 1.200000 Total energy: -1010.026497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.026497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.026497 (E_RNA) where: Base-Base interactions energy: -595.843 where: short stacking energy: -281.040 Base-Backbone interact. energy: -1.551 local terms energy: -412.632373 where: bonds (distance) C4'-P energy: -99.711 bonds (distance) P-C4' energy: -94.016 flat angles C4'-P-C4' energy: -86.530 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -59.596 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: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -837.669508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.669508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.669508 (E_RNA) where: Base-Base interactions energy: -470.608 where: short stacking energy: -248.762 Base-Backbone interact. energy: 0.722 local terms energy: -367.783438 where: bonds (distance) C4'-P energy: -80.458 bonds (distance) P-C4' energy: -97.861 flat angles C4'-P-C4' energy: -95.851 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -42.694 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: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -655.365268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.365268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.365268 (E_RNA) where: Base-Base interactions energy: -328.956 where: short stacking energy: -198.560 Base-Backbone interact. energy: -1.874 local terms energy: -324.535483 where: bonds (distance) C4'-P energy: -87.502 bonds (distance) P-C4' energy: -88.959 flat angles C4'-P-C4' energy: -85.860 flat angles P-C4'-P energy: -63.835 tors. eta vs tors. theta energy: 1.620 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: 424 Temperature: 1.350000 Total energy: -610.348919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.348919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.348919 (E_RNA) where: Base-Base interactions energy: -327.965 where: short stacking energy: -187.584 Base-Backbone interact. energy: 0.953 local terms energy: -283.336066 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -89.289 flat angles C4'-P-C4' energy: -84.808 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -0.228 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: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1854.741062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.741062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.741062 (E_RNA) where: Base-Base interactions energy: -1276.105 where: short stacking energy: -543.519 Base-Backbone interact. energy: -1.980 local terms energy: -576.656092 where: bonds (distance) C4'-P energy: -99.940 bonds (distance) P-C4' energy: -111.867 flat angles C4'-P-C4' energy: -121.907 flat angles P-C4'-P energy: -81.303 tors. eta vs tors. theta energy: -161.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1693.132315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.132315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.132315 (E_RNA) where: Base-Base interactions energy: -1124.907 where: short stacking energy: -524.364 Base-Backbone interact. energy: -1.562 local terms energy: -566.663274 where: bonds (distance) C4'-P energy: -107.931 bonds (distance) P-C4' energy: -105.783 flat angles C4'-P-C4' energy: -122.775 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -147.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1591.292096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.292096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.292096 (E_RNA) where: Base-Base interactions energy: -1056.445 where: short stacking energy: -473.133 Base-Backbone interact. energy: -4.002 local terms energy: -530.844266 where: bonds (distance) C4'-P energy: -96.260 bonds (distance) P-C4' energy: -114.379 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -78.097 tors. eta vs tors. theta energy: -131.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1449.713530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.713530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.713530 (E_RNA) where: Base-Base interactions energy: -956.553 where: short stacking energy: -417.998 Base-Backbone interact. energy: -3.877 local terms energy: -489.283855 where: bonds (distance) C4'-P energy: -104.900 bonds (distance) P-C4' energy: -103.843 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: -108.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1416.655068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.655068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.655068 (E_RNA) where: Base-Base interactions energy: -930.855 where: short stacking energy: -408.898 Base-Backbone interact. energy: -1.176 local terms energy: -484.623598 where: bonds (distance) C4'-P energy: -90.275 bonds (distance) P-C4' energy: -101.386 flat angles C4'-P-C4' energy: -115.916 flat angles P-C4'-P energy: -66.582 tors. eta vs tors. theta energy: -110.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1193.081760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.081760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.081760 (E_RNA) where: Base-Base interactions energy: -737.122 where: short stacking energy: -342.584 Base-Backbone interact. energy: -5.013 local terms energy: -450.947018 where: bonds (distance) C4'-P energy: -87.565 bonds (distance) P-C4' energy: -101.625 flat angles C4'-P-C4' energy: -98.339 flat angles P-C4'-P energy: -78.670 tors. eta vs tors. theta energy: -84.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -988.367478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.367478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.367478 (E_RNA) where: Base-Base interactions energy: -582.004 where: short stacking energy: -278.156 Base-Backbone interact. energy: 0.088 local terms energy: -406.451184 where: bonds (distance) C4'-P energy: -97.263 bonds (distance) P-C4' energy: -87.360 flat angles C4'-P-C4' energy: -112.355 flat angles P-C4'-P energy: -59.057 tors. eta vs tors. theta energy: -50.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -788.234535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.234535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.234535 (E_RNA) where: Base-Base interactions energy: -426.507 where: short stacking energy: -221.929 Base-Backbone interact. energy: 0.941 local terms energy: -362.668441 where: bonds (distance) C4'-P energy: -94.210 bonds (distance) P-C4' energy: -105.461 flat angles C4'-P-C4' energy: -82.638 flat angles P-C4'-P energy: -57.275 tors. eta vs tors. theta energy: -23.084 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: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -636.149187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.149187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.149187 (E_RNA) where: Base-Base interactions energy: -307.709 where: short stacking energy: -158.035 Base-Backbone interact. energy: -3.666 local terms energy: -324.774257 where: bonds (distance) C4'-P energy: -96.931 bonds (distance) P-C4' energy: -92.734 flat angles C4'-P-C4' energy: -95.357 flat angles P-C4'-P energy: -36.440 tors. eta vs tors. theta energy: -3.312 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -567.214672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.214672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.214672 (E_RNA) where: Base-Base interactions energy: -272.354 where: short stacking energy: -167.067 Base-Backbone interact. energy: 1.911 local terms energy: -296.771974 where: bonds (distance) C4'-P energy: -82.933 bonds (distance) P-C4' energy: -92.226 flat angles C4'-P-C4' energy: -69.300 flat angles P-C4'-P energy: -56.568 tors. eta vs tors. theta energy: 4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1849.234721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.234721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.234721 (E_RNA) where: Base-Base interactions energy: -1258.797 where: short stacking energy: -547.716 Base-Backbone interact. energy: 2.206 local terms energy: -592.643699 where: bonds (distance) C4'-P energy: -118.093 bonds (distance) P-C4' energy: -102.789 flat angles C4'-P-C4' energy: -129.149 flat angles P-C4'-P energy: -79.147 tors. eta vs tors. theta energy: -163.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1701.279254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.279254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.279254 (E_RNA) where: Base-Base interactions energy: -1121.419 where: short stacking energy: -503.223 Base-Backbone interact. energy: -1.732 local terms energy: -578.128079 where: bonds (distance) C4'-P energy: -108.844 bonds (distance) P-C4' energy: -121.574 flat angles C4'-P-C4' energy: -121.301 flat angles P-C4'-P energy: -78.897 tors. eta vs tors. theta energy: -147.512 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: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1593.336654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.336654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.336654 (E_RNA) where: Base-Base interactions energy: -1063.635 where: short stacking energy: -457.896 Base-Backbone interact. energy: -4.037 local terms energy: -525.665243 where: bonds (distance) C4'-P energy: -103.639 bonds (distance) P-C4' energy: -114.275 flat angles C4'-P-C4' energy: -112.981 flat angles P-C4'-P energy: -71.809 tors. eta vs tors. theta energy: -122.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1451.655976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.655976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.655976 (E_RNA) where: Base-Base interactions energy: -951.586 where: short stacking energy: -414.484 Base-Backbone interact. energy: -3.379 local terms energy: -496.690838 where: bonds (distance) C4'-P energy: -110.574 bonds (distance) P-C4' energy: -84.187 flat angles C4'-P-C4' energy: -110.717 flat angles P-C4'-P energy: -79.219 tors. eta vs tors. theta energy: -111.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1404.507134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.507134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.507134 (E_RNA) where: Base-Base interactions energy: -946.584 where: short stacking energy: -428.187 Base-Backbone interact. energy: -2.909 local terms energy: -455.014742 where: bonds (distance) C4'-P energy: -95.901 bonds (distance) P-C4' energy: -98.783 flat angles C4'-P-C4' energy: -97.289 flat angles P-C4'-P energy: -62.869 tors. eta vs tors. theta energy: -100.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1203.574005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.574005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.574005 (E_RNA) where: Base-Base interactions energy: -776.152 where: short stacking energy: -344.683 Base-Backbone interact. energy: 3.565 local terms energy: -430.986970 where: bonds (distance) C4'-P energy: -98.131 bonds (distance) P-C4' energy: -79.357 flat angles C4'-P-C4' energy: -105.595 flat angles P-C4'-P energy: -68.457 tors. eta vs tors. theta energy: -79.447 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: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1003.235607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.235607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.235607 (E_RNA) where: Base-Base interactions energy: -589.648 where: short stacking energy: -287.000 Base-Backbone interact. energy: 0.963 local terms energy: -414.550854 where: bonds (distance) C4'-P energy: -97.109 bonds (distance) P-C4' energy: -96.504 flat angles C4'-P-C4' energy: -98.054 flat angles P-C4'-P energy: -67.125 tors. eta vs tors. theta energy: -55.759 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: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -779.047378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.047378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.047378 (E_RNA) where: Base-Base interactions energy: -438.881 where: short stacking energy: -236.261 Base-Backbone interact. energy: 4.125 local terms energy: -344.291401 where: bonds (distance) C4'-P energy: -80.760 bonds (distance) P-C4' energy: -82.334 flat angles C4'-P-C4' energy: -91.190 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -28.432 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: 9, replica: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -564.837325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.837325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.837325 (E_RNA) where: Base-Base interactions energy: -249.990 where: short stacking energy: -171.725 Base-Backbone interact. energy: 6.490 local terms energy: -321.337848 where: bonds (distance) C4'-P energy: -103.614 bonds (distance) P-C4' energy: -91.607 flat angles C4'-P-C4' energy: -74.716 flat angles P-C4'-P energy: -57.396 tors. eta vs tors. theta energy: 5.994 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: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -571.276054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.276054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.276054 (E_RNA) where: Base-Base interactions energy: -266.647 where: short stacking energy: -160.757 Base-Backbone interact. energy: 2.697 local terms energy: -307.325297 where: bonds (distance) C4'-P energy: -89.439 bonds (distance) P-C4' energy: -98.855 flat angles C4'-P-C4' energy: -72.313 flat angles P-C4'-P energy: -40.396 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1826.920538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.920538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.920538 (E_RNA) where: Base-Base interactions energy: -1250.211 where: short stacking energy: -558.250 Base-Backbone interact. energy: 0.739 local terms energy: -577.449159 where: bonds (distance) C4'-P energy: -90.814 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -122.942 flat angles P-C4'-P energy: -85.153 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: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1684.632663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.632663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.632663 (E_RNA) where: Base-Base interactions energy: -1127.621 where: short stacking energy: -517.164 Base-Backbone interact. energy: -3.876 local terms energy: -553.136324 where: bonds (distance) C4'-P energy: -99.149 bonds (distance) P-C4' energy: -118.097 flat angles C4'-P-C4' energy: -112.913 flat angles P-C4'-P energy: -73.941 tors. eta vs tors. theta energy: -149.036 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: 427 Temperature: 1.000000 Total energy: -1653.722946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.722946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.722946 (E_RNA) where: Base-Base interactions energy: -1122.327 where: short stacking energy: -520.310 Base-Backbone interact. energy: -0.490 local terms energy: -530.906201 where: bonds (distance) C4'-P energy: -96.240 bonds (distance) P-C4' energy: -93.813 flat angles C4'-P-C4' energy: -106.954 flat angles P-C4'-P energy: -87.960 tors. eta vs tors. theta energy: -145.939 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: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1423.856146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.856146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.856146 (E_RNA) where: Base-Base interactions energy: -939.661 where: short stacking energy: -426.881 Base-Backbone interact. energy: -2.446 local terms energy: -481.749176 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -97.658 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -68.043 tors. eta vs tors. theta energy: -107.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1388.193374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.193374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.193374 (E_RNA) where: Base-Base interactions energy: -928.421 where: short stacking energy: -397.347 Base-Backbone interact. energy: -2.430 local terms energy: -457.341817 where: bonds (distance) C4'-P energy: -86.207 bonds (distance) P-C4' energy: -93.543 flat angles C4'-P-C4' energy: -109.346 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: -103.445 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: 427 Temperature: 1.150000 Total energy: -1189.844618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.844618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.844618 (E_RNA) where: Base-Base interactions energy: -764.330 where: short stacking energy: -379.563 Base-Backbone interact. energy: -3.110 local terms energy: -422.405115 where: bonds (distance) C4'-P energy: -65.139 bonds (distance) P-C4' energy: -95.799 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -83.601 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: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1029.498426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.498426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.498426 (E_RNA) where: Base-Base interactions energy: -602.637 where: short stacking energy: -306.871 Base-Backbone interact. energy: -3.177 local terms energy: -423.683602 where: bonds (distance) C4'-P energy: -97.811 bonds (distance) P-C4' energy: -112.090 flat angles C4'-P-C4' energy: -98.628 flat angles P-C4'-P energy: -59.606 tors. eta vs tors. theta energy: -55.549 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: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -791.668801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.668801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.668801 (E_RNA) where: Base-Base interactions energy: -440.343 where: short stacking energy: -246.793 Base-Backbone interact. energy: -0.530 local terms energy: -350.795371 where: bonds (distance) C4'-P energy: -78.246 bonds (distance) P-C4' energy: -100.175 flat angles C4'-P-C4' energy: -94.524 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -28.489 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: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -538.398926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.398926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.398926 (E_RNA) where: Base-Base interactions energy: -218.865 where: short stacking energy: -142.133 Base-Backbone interact. energy: -2.307 local terms energy: -317.227004 where: bonds (distance) C4'-P energy: -102.073 bonds (distance) P-C4' energy: -87.421 flat angles C4'-P-C4' energy: -81.901 flat angles P-C4'-P energy: -47.145 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: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -561.715597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.715597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.715597 (E_RNA) where: Base-Base interactions energy: -238.700 where: short stacking energy: -135.245 Base-Backbone interact. energy: 5.122 local terms energy: -328.137364 where: bonds (distance) C4'-P energy: -66.509 bonds (distance) P-C4' energy: -95.173 flat angles C4'-P-C4' energy: -110.124 flat angles P-C4'-P energy: -60.440 tors. eta vs tors. theta energy: 4.108 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: 428 Temperature: 0.900000 Total energy: -1832.276901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.276901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.276901 (E_RNA) where: Base-Base interactions energy: -1260.781 where: short stacking energy: -537.633 Base-Backbone interact. energy: -2.495 local terms energy: -569.001310 where: bonds (distance) C4'-P energy: -112.306 bonds (distance) P-C4' energy: -112.358 flat angles C4'-P-C4' energy: -116.680 flat angles P-C4'-P energy: -71.363 tors. eta vs tors. theta energy: -156.293 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: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1665.721933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.721933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.721933 (E_RNA) where: Base-Base interactions energy: -1109.332 where: short stacking energy: -494.942 Base-Backbone interact. energy: -2.280 local terms energy: -554.110236 where: bonds (distance) C4'-P energy: -104.576 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -118.670 flat angles P-C4'-P energy: -73.959 tors. eta vs tors. theta energy: -144.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1635.460059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.460059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.460059 (E_RNA) where: Base-Base interactions energy: -1082.557 where: short stacking energy: -501.670 Base-Backbone interact. energy: -3.738 local terms energy: -549.165292 where: bonds (distance) C4'-P energy: -111.759 bonds (distance) P-C4' energy: -105.014 flat angles C4'-P-C4' energy: -108.015 flat angles P-C4'-P energy: -84.077 tors. eta vs tors. theta energy: -140.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1444.323915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.323915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.323915 (E_RNA) where: Base-Base interactions energy: -968.090 where: short stacking energy: -433.367 Base-Backbone interact. energy: -3.287 local terms energy: -472.947278 where: bonds (distance) C4'-P energy: -91.588 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -103.269 flat angles P-C4'-P energy: -73.696 tors. eta vs tors. theta energy: -105.366 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: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1422.380216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.380216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.380216 (E_RNA) where: Base-Base interactions energy: -933.436 where: short stacking energy: -406.646 Base-Backbone interact. energy: -1.886 local terms energy: -487.058028 where: bonds (distance) C4'-P energy: -94.593 bonds (distance) P-C4' energy: -99.203 flat angles C4'-P-C4' energy: -114.666 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: -106.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1178.289613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.289613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.289613 (E_RNA) where: Base-Base interactions energy: -733.368 where: short stacking energy: -356.214 Base-Backbone interact. energy: -1.712 local terms energy: -443.209483 where: bonds (distance) C4'-P energy: -92.330 bonds (distance) P-C4' energy: -109.885 flat angles C4'-P-C4' energy: -107.608 flat angles P-C4'-P energy: -55.125 tors. eta vs tors. theta energy: -78.262 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: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1047.662721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.662721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.662721 (E_RNA) where: Base-Base interactions energy: -646.015 where: short stacking energy: -306.288 Base-Backbone interact. energy: 0.835 local terms energy: -402.482149 where: bonds (distance) C4'-P energy: -87.783 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -83.863 flat angles P-C4'-P energy: -65.285 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: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -782.966065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.966065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.966065 (E_RNA) where: Base-Base interactions energy: -434.122 where: short stacking energy: -225.639 Base-Backbone interact. energy: -2.203 local terms energy: -346.641234 where: bonds (distance) C4'-P energy: -86.363 bonds (distance) P-C4' energy: -94.466 flat angles C4'-P-C4' energy: -88.249 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -28.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -534.538344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.538344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.538344 (E_RNA) where: Base-Base interactions energy: -242.735 where: short stacking energy: -160.314 Base-Backbone interact. energy: 3.209 local terms energy: -295.012487 where: bonds (distance) C4'-P energy: -95.080 bonds (distance) P-C4' energy: -88.673 flat angles C4'-P-C4' energy: -72.285 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: 7.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -543.581113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.581113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.581113 (E_RNA) where: Base-Base interactions energy: -268.398 where: short stacking energy: -169.975 Base-Backbone interact. energy: 4.721 local terms energy: -279.903519 where: bonds (distance) C4'-P energy: -82.888 bonds (distance) P-C4' energy: -83.626 flat angles C4'-P-C4' energy: -78.266 flat angles P-C4'-P energy: -39.997 tors. eta vs tors. theta energy: 4.874 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: 429 Temperature: 0.900000 Total energy: -1829.957216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.957216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.957216 (E_RNA) where: Base-Base interactions energy: -1264.047 where: short stacking energy: -559.672 Base-Backbone interact. energy: 1.344 local terms energy: -567.254230 where: bonds (distance) C4'-P energy: -101.670 bonds (distance) P-C4' energy: -104.366 flat angles C4'-P-C4' energy: -121.216 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -155.574 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: 429 Temperature: 0.950000 Total energy: -1670.345300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.345300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.345300 (E_RNA) where: Base-Base interactions energy: -1121.627 where: short stacking energy: -507.679 Base-Backbone interact. energy: -3.212 local terms energy: -545.506345 where: bonds (distance) C4'-P energy: -109.705 bonds (distance) P-C4' energy: -101.814 flat angles C4'-P-C4' energy: -110.754 flat angles P-C4'-P energy: -84.536 tors. eta vs tors. theta energy: -138.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1638.384727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.384727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.384727 (E_RNA) where: Base-Base interactions energy: -1108.662 where: short stacking energy: -485.695 Base-Backbone interact. energy: -0.494 local terms energy: -529.228453 where: bonds (distance) C4'-P energy: -106.555 bonds (distance) P-C4' energy: -102.162 flat angles C4'-P-C4' energy: -117.483 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -135.712 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: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1467.900460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.900460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.900460 (E_RNA) where: Base-Base interactions energy: -964.438 where: short stacking energy: -431.375 Base-Backbone interact. energy: -2.402 local terms energy: -501.061095 where: bonds (distance) C4'-P energy: -112.397 bonds (distance) P-C4' energy: -91.821 flat angles C4'-P-C4' energy: -112.548 flat angles P-C4'-P energy: -73.168 tors. eta vs tors. theta energy: -111.127 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: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1397.934582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.934582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.934582 (E_RNA) where: Base-Base interactions energy: -932.752 where: short stacking energy: -410.025 Base-Backbone interact. energy: -4.564 local terms energy: -460.618664 where: bonds (distance) C4'-P energy: -87.176 bonds (distance) P-C4' energy: -101.885 flat angles C4'-P-C4' energy: -101.665 flat angles P-C4'-P energy: -67.413 tors. eta vs tors. theta energy: -102.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1230.607817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.607817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.607817 (E_RNA) where: Base-Base interactions energy: -804.587 where: short stacking energy: -381.416 Base-Backbone interact. energy: -1.168 local terms energy: -424.853518 where: bonds (distance) C4'-P energy: -94.946 bonds (distance) P-C4' energy: -94.592 flat angles C4'-P-C4' energy: -90.414 flat angles P-C4'-P energy: -56.861 tors. eta vs tors. theta energy: -88.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1030.869621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.869621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.869621 (E_RNA) where: Base-Base interactions energy: -609.743 where: short stacking energy: -296.846 Base-Backbone interact. energy: -0.708 local terms energy: -420.418469 where: bonds (distance) C4'-P energy: -103.702 bonds (distance) P-C4' energy: -101.524 flat angles C4'-P-C4' energy: -91.096 flat angles P-C4'-P energy: -63.090 tors. eta vs tors. theta energy: -61.007 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: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -820.071637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.071637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.071637 (E_RNA) where: Base-Base interactions energy: -452.727 where: short stacking energy: -232.627 Base-Backbone interact. energy: 0.274 local terms energy: -367.619299 where: bonds (distance) C4'-P energy: -75.177 bonds (distance) P-C4' energy: -106.927 flat angles C4'-P-C4' energy: -102.062 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -17.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -528.885484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.885484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.885484 (E_RNA) where: Base-Base interactions energy: -219.830 where: short stacking energy: -153.477 Base-Backbone interact. energy: 1.259 local terms energy: -310.313987 where: bonds (distance) C4'-P energy: -102.166 bonds (distance) P-C4' energy: -83.403 flat angles C4'-P-C4' energy: -68.329 flat angles P-C4'-P energy: -60.366 tors. eta vs tors. theta energy: 3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -552.328261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.328261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.328261 (E_RNA) where: Base-Base interactions energy: -253.716 where: short stacking energy: -153.006 Base-Backbone interact. energy: 1.760 local terms energy: -300.372134 where: bonds (distance) C4'-P energy: -87.116 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -69.474 flat angles P-C4'-P energy: -48.632 tors. eta vs tors. theta energy: 5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1843.334862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.334862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.334862 (E_RNA) where: Base-Base interactions energy: -1242.213 where: short stacking energy: -560.407 Base-Backbone interact. energy: -1.647 local terms energy: -599.474650 where: bonds (distance) C4'-P energy: -108.303 bonds (distance) P-C4' energy: -120.787 flat angles C4'-P-C4' energy: -121.850 flat angles P-C4'-P energy: -93.944 tors. eta vs tors. theta energy: -154.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1698.006168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.006168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.006168 (E_RNA) where: Base-Base interactions energy: -1135.024 where: short stacking energy: -528.769 Base-Backbone interact. energy: -2.333 local terms energy: -560.649406 where: bonds (distance) C4'-P energy: -107.509 bonds (distance) P-C4' energy: -101.918 flat angles C4'-P-C4' energy: -115.331 flat angles P-C4'-P energy: -84.356 tors. eta vs tors. theta energy: -151.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1646.792273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.792273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.792273 (E_RNA) where: Base-Base interactions energy: -1113.884 where: short stacking energy: -501.609 Base-Backbone interact. energy: 0.554 local terms energy: -533.461524 where: bonds (distance) C4'-P energy: -100.238 bonds (distance) P-C4' energy: -113.904 flat angles C4'-P-C4' energy: -111.111 flat angles P-C4'-P energy: -66.286 tors. eta vs tors. theta energy: -141.922 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: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1462.328692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.328692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.328692 (E_RNA) where: Base-Base interactions energy: -966.717 where: short stacking energy: -436.709 Base-Backbone interact. energy: -2.027 local terms energy: -493.584648 where: bonds (distance) C4'-P energy: -106.164 bonds (distance) P-C4' energy: -105.848 flat angles C4'-P-C4' energy: -105.444 flat angles P-C4'-P energy: -69.955 tors. eta vs tors. theta energy: -106.174 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: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1375.728927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.728927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.728927 (E_RNA) where: Base-Base interactions energy: -930.969 where: short stacking energy: -384.939 Base-Backbone interact. energy: 4.021 local terms energy: -448.780900 where: bonds (distance) C4'-P energy: -96.500 bonds (distance) P-C4' energy: -103.622 flat angles C4'-P-C4' energy: -107.484 flat angles P-C4'-P energy: -59.099 tors. eta vs tors. theta energy: -82.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1224.789926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.789926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.789926 (E_RNA) where: Base-Base interactions energy: -804.260 where: short stacking energy: -355.335 Base-Backbone interact. energy: -4.115 local terms energy: -416.414569 where: bonds (distance) C4'-P energy: -90.806 bonds (distance) P-C4' energy: -79.953 flat angles C4'-P-C4' energy: -102.446 flat angles P-C4'-P energy: -77.294 tors. eta vs tors. theta energy: -65.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1052.839441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.839441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.839441 (E_RNA) where: Base-Base interactions energy: -636.088 where: short stacking energy: -308.010 Base-Backbone interact. energy: -2.228 local terms energy: -414.524252 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -94.912 flat angles C4'-P-C4' energy: -99.598 flat angles P-C4'-P energy: -61.207 tors. eta vs tors. theta energy: -55.228 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: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -783.586736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.586736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.586736 (E_RNA) where: Base-Base interactions energy: -436.805 where: short stacking energy: -214.594 Base-Backbone interact. energy: 3.830 local terms energy: -350.611337 where: bonds (distance) C4'-P energy: -76.678 bonds (distance) P-C4' energy: -101.615 flat angles C4'-P-C4' energy: -80.306 flat angles P-C4'-P energy: -64.972 tors. eta vs tors. theta energy: -27.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -616.814874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.814874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.814874 (E_RNA) where: Base-Base interactions energy: -298.978 where: short stacking energy: -161.777 Base-Backbone interact. energy: -1.226 local terms energy: -316.610792 where: bonds (distance) C4'-P energy: -94.147 bonds (distance) P-C4' energy: -104.408 flat angles C4'-P-C4' energy: -85.235 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: 8.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -491.478196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.478196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.478196 (E_RNA) where: Base-Base interactions energy: -204.089 where: short stacking energy: -142.203 Base-Backbone interact. energy: 0.417 local terms energy: -287.806944 where: bonds (distance) C4'-P energy: -88.484 bonds (distance) P-C4' energy: -102.012 flat angles C4'-P-C4' energy: -80.683 flat angles P-C4'-P energy: -37.874 tors. eta vs tors. theta energy: 21.246 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: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1820.972646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.972646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.972646 (E_RNA) where: Base-Base interactions energy: -1223.502 where: short stacking energy: -548.490 Base-Backbone interact. energy: -4.341 local terms energy: -593.130482 where: bonds (distance) C4'-P energy: -102.709 bonds (distance) P-C4' energy: -115.102 flat angles C4'-P-C4' energy: -134.775 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: -158.449 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: 431 Temperature: 0.950000 Total energy: -1724.801405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.801405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.801405 (E_RNA) where: Base-Base interactions energy: -1156.409 where: short stacking energy: -531.633 Base-Backbone interact. energy: 1.188 local terms energy: -569.580033 where: bonds (distance) C4'-P energy: -109.944 bonds (distance) P-C4' energy: -112.308 flat angles C4'-P-C4' energy: -129.839 flat angles P-C4'-P energy: -72.569 tors. eta vs tors. theta energy: -144.920 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: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1640.736048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.736048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.736048 (E_RNA) where: Base-Base interactions energy: -1127.711 where: short stacking energy: -482.398 Base-Backbone interact. energy: -2.607 local terms energy: -510.418119 where: bonds (distance) C4'-P energy: -83.256 bonds (distance) P-C4' energy: -102.688 flat angles C4'-P-C4' energy: -116.731 flat angles P-C4'-P energy: -72.209 tors. eta vs tors. theta energy: -135.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1487.116703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.116703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.116703 (E_RNA) where: Base-Base interactions energy: -994.180 where: short stacking energy: -475.504 Base-Backbone interact. energy: -2.143 local terms energy: -490.794264 where: bonds (distance) C4'-P energy: -102.912 bonds (distance) P-C4' energy: -95.953 flat angles C4'-P-C4' energy: -110.758 flat angles P-C4'-P energy: -63.349 tors. eta vs tors. theta energy: -117.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1398.109231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.109231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.109231 (E_RNA) where: Base-Base interactions energy: -901.401 where: short stacking energy: -388.566 Base-Backbone interact. energy: -3.284 local terms energy: -493.424333 where: bonds (distance) C4'-P energy: -100.991 bonds (distance) P-C4' energy: -106.509 flat angles C4'-P-C4' energy: -105.033 flat angles P-C4'-P energy: -82.815 tors. eta vs tors. theta energy: -98.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1257.009446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.009446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.009446 (E_RNA) where: Base-Base interactions energy: -812.196 where: short stacking energy: -358.431 Base-Backbone interact. energy: -0.670 local terms energy: -444.143392 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -98.626 flat angles C4'-P-C4' energy: -97.044 flat angles P-C4'-P energy: -68.386 tors. eta vs tors. theta energy: -77.820 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: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1022.081405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.081405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.081405 (E_RNA) where: Base-Base interactions energy: -631.013 where: short stacking energy: -305.062 Base-Backbone interact. energy: -0.307 local terms energy: -390.761235 where: bonds (distance) C4'-P energy: -81.295 bonds (distance) P-C4' energy: -98.418 flat angles C4'-P-C4' energy: -100.995 flat angles P-C4'-P energy: -57.684 tors. eta vs tors. theta energy: -52.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -813.419666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.419666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.419666 (E_RNA) where: Base-Base interactions energy: -454.483 where: short stacking energy: -232.011 Base-Backbone interact. energy: -1.553 local terms energy: -357.384112 where: bonds (distance) C4'-P energy: -83.151 bonds (distance) P-C4' energy: -105.789 flat angles C4'-P-C4' energy: -91.390 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -26.937 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: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -608.853935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.853935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.853935 (E_RNA) where: Base-Base interactions energy: -284.128 where: short stacking energy: -183.329 Base-Backbone interact. energy: 3.594 local terms energy: -328.320601 where: bonds (distance) C4'-P energy: -74.201 bonds (distance) P-C4' energy: -98.164 flat angles C4'-P-C4' energy: -82.257 flat angles P-C4'-P energy: -52.687 tors. eta vs tors. theta energy: -21.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -494.549070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.549070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.549070 (E_RNA) where: Base-Base interactions energy: -229.154 where: short stacking energy: -133.984 Base-Backbone interact. energy: 2.018 local terms energy: -267.413114 where: bonds (distance) C4'-P energy: -92.479 bonds (distance) P-C4' energy: -88.561 flat angles C4'-P-C4' energy: -56.879 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: 22.814 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: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1797.059993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.059993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.059993 (E_RNA) where: Base-Base interactions energy: -1226.929 where: short stacking energy: -548.749 Base-Backbone interact. energy: 1.571 local terms energy: -571.701943 where: bonds (distance) C4'-P energy: -112.361 bonds (distance) P-C4' energy: -104.546 flat angles C4'-P-C4' energy: -124.805 flat angles P-C4'-P energy: -82.038 tors. eta vs tors. theta energy: -147.953 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: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1687.335702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.335702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.335702 (E_RNA) where: Base-Base interactions energy: -1112.420 where: short stacking energy: -541.228 Base-Backbone interact. energy: -1.786 local terms energy: -573.129698 where: bonds (distance) C4'-P energy: -115.592 bonds (distance) P-C4' energy: -114.674 flat angles C4'-P-C4' energy: -122.387 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -152.271 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: 432 Temperature: 1.000000 Total energy: -1661.727942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.727942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.727942 (E_RNA) where: Base-Base interactions energy: -1085.347 where: short stacking energy: -479.232 Base-Backbone interact. energy: -4.329 local terms energy: -572.051888 where: bonds (distance) C4'-P energy: -106.834 bonds (distance) P-C4' energy: -110.701 flat angles C4'-P-C4' energy: -126.817 flat angles P-C4'-P energy: -85.938 tors. eta vs tors. theta energy: -141.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1434.025259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.025259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.025259 (E_RNA) where: Base-Base interactions energy: -965.777 where: short stacking energy: -408.126 Base-Backbone interact. energy: -3.985 local terms energy: -464.263398 where: bonds (distance) C4'-P energy: -92.225 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -106.062 flat angles P-C4'-P energy: -74.163 tors. eta vs tors. theta energy: -106.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1355.985683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.985683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.985683 (E_RNA) where: Base-Base interactions energy: -878.701 where: short stacking energy: -380.962 Base-Backbone interact. energy: -2.590 local terms energy: -474.694802 where: bonds (distance) C4'-P energy: -93.800 bonds (distance) P-C4' energy: -107.229 flat angles C4'-P-C4' energy: -118.784 flat angles P-C4'-P energy: -75.789 tors. eta vs tors. theta energy: -79.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1263.903849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.903849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.903849 (E_RNA) where: Base-Base interactions energy: -803.769 where: short stacking energy: -381.379 Base-Backbone interact. energy: -3.366 local terms energy: -456.768881 where: bonds (distance) C4'-P energy: -108.434 bonds (distance) P-C4' energy: -107.021 flat angles C4'-P-C4' energy: -95.444 flat angles P-C4'-P energy: -62.007 tors. eta vs tors. theta energy: -83.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -998.353945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.353945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.353945 (E_RNA) where: Base-Base interactions energy: -627.127 where: short stacking energy: -283.294 Base-Backbone interact. energy: -2.936 local terms energy: -368.290949 where: bonds (distance) C4'-P energy: -96.064 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -92.610 flat angles P-C4'-P energy: -53.710 tors. eta vs tors. theta energy: -53.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -875.200560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.200560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.200560 (E_RNA) where: Base-Base interactions energy: -512.915 where: short stacking energy: -274.320 Base-Backbone interact. energy: -0.936 local terms energy: -361.349995 where: bonds (distance) C4'-P energy: -78.971 bonds (distance) P-C4' energy: -87.689 flat angles C4'-P-C4' energy: -88.746 flat angles P-C4'-P energy: -53.231 tors. eta vs tors. theta energy: -52.712 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: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -531.111993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.111993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.111993 (E_RNA) where: Base-Base interactions energy: -223.459 where: short stacking energy: -154.398 Base-Backbone interact. energy: -3.172 local terms energy: -304.481776 where: bonds (distance) C4'-P energy: -92.290 bonds (distance) P-C4' energy: -91.227 flat angles C4'-P-C4' energy: -69.885 flat angles P-C4'-P energy: -53.798 tors. eta vs tors. theta energy: 2.718 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: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -597.130874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.130874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.130874 (E_RNA) where: Base-Base interactions energy: -280.919 where: short stacking energy: -170.469 Base-Backbone interact. energy: 1.586 local terms energy: -317.797853 where: bonds (distance) C4'-P energy: -91.608 bonds (distance) P-C4' energy: -90.764 flat angles C4'-P-C4' energy: -87.339 flat angles P-C4'-P energy: -37.998 tors. eta vs tors. theta energy: -10.090 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: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1820.255272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.255272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.255272 (E_RNA) where: Base-Base interactions energy: -1253.917 where: short stacking energy: -550.361 Base-Backbone interact. energy: 0.223 local terms energy: -566.560605 where: bonds (distance) C4'-P energy: -98.542 bonds (distance) P-C4' energy: -112.506 flat angles C4'-P-C4' energy: -118.752 flat angles P-C4'-P energy: -82.601 tors. eta vs tors. theta energy: -154.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1693.295746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.295746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.295746 (E_RNA) where: Base-Base interactions energy: -1129.211 where: short stacking energy: -522.401 Base-Backbone interact. energy: -0.099 local terms energy: -563.986054 where: bonds (distance) C4'-P energy: -104.474 bonds (distance) P-C4' energy: -96.673 flat angles C4'-P-C4' energy: -119.070 flat angles P-C4'-P energy: -90.041 tors. eta vs tors. theta energy: -153.727 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: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1618.896595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.896595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.896595 (E_RNA) where: Base-Base interactions energy: -1092.901 where: short stacking energy: -462.982 Base-Backbone interact. energy: 3.145 local terms energy: -529.140484 where: bonds (distance) C4'-P energy: -103.259 bonds (distance) P-C4' energy: -110.460 flat angles C4'-P-C4' energy: -112.028 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -125.179 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: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1426.443104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.443104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.443104 (E_RNA) where: Base-Base interactions energy: -937.726 where: short stacking energy: -406.224 Base-Backbone interact. energy: 0.087 local terms energy: -488.803722 where: bonds (distance) C4'-P energy: -104.550 bonds (distance) P-C4' energy: -106.555 flat angles C4'-P-C4' energy: -107.739 flat angles P-C4'-P energy: -75.327 tors. eta vs tors. theta energy: -94.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1373.121565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.121565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.121565 (E_RNA) where: Base-Base interactions energy: -902.372 where: short stacking energy: -419.879 Base-Backbone interact. energy: -4.096 local terms energy: -466.653699 where: bonds (distance) C4'-P energy: -91.826 bonds (distance) P-C4' energy: -113.868 flat angles C4'-P-C4' energy: -102.943 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -97.109 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: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1212.314368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.314368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.314368 (E_RNA) where: Base-Base interactions energy: -786.264 where: short stacking energy: -364.521 Base-Backbone interact. energy: -0.745 local terms energy: -425.305394 where: bonds (distance) C4'-P energy: -81.821 bonds (distance) P-C4' energy: -97.869 flat angles C4'-P-C4' energy: -102.287 flat angles P-C4'-P energy: -62.783 tors. eta vs tors. theta energy: -80.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1076.962418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.962418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.962418 (E_RNA) where: Base-Base interactions energy: -674.620 where: short stacking energy: -352.968 Base-Backbone interact. energy: -0.956 local terms energy: -401.386540 where: bonds (distance) C4'-P energy: -87.658 bonds (distance) P-C4' energy: -75.686 flat angles C4'-P-C4' energy: -89.818 flat angles P-C4'-P energy: -63.854 tors. eta vs tors. theta energy: -84.370 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: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -861.785123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.785123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.785123 (E_RNA) where: Base-Base interactions energy: -518.627 where: short stacking energy: -247.770 Base-Backbone interact. energy: 2.998 local terms energy: -346.155968 where: bonds (distance) C4'-P energy: -72.962 bonds (distance) P-C4' energy: -88.629 flat angles C4'-P-C4' energy: -86.074 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -44.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -544.419968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.419968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.419968 (E_RNA) where: Base-Base interactions energy: -242.114 where: short stacking energy: -159.927 Base-Backbone interact. energy: -2.551 local terms energy: -299.754948 where: bonds (distance) C4'-P energy: -86.171 bonds (distance) P-C4' energy: -101.491 flat angles C4'-P-C4' energy: -77.096 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: 8.570 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: 433 Temperature: 1.350000 Total energy: -574.164599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.164599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.164599 (E_RNA) where: Base-Base interactions energy: -284.041 where: short stacking energy: -169.777 Base-Backbone interact. energy: 5.009 local terms energy: -295.132451 where: bonds (distance) C4'-P energy: -83.954 bonds (distance) P-C4' energy: -73.265 flat angles C4'-P-C4' energy: -84.068 flat angles P-C4'-P energy: -52.726 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1821.174050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.174050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.174050 (E_RNA) where: Base-Base interactions energy: -1244.491 where: short stacking energy: -546.850 Base-Backbone interact. energy: -3.714 local terms energy: -572.969150 where: bonds (distance) C4'-P energy: -114.051 bonds (distance) P-C4' energy: -108.050 flat angles C4'-P-C4' energy: -125.114 flat angles P-C4'-P energy: -71.918 tors. eta vs tors. theta energy: -153.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1677.156805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.156805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.156805 (E_RNA) where: Base-Base interactions energy: -1123.521 where: short stacking energy: -528.487 Base-Backbone interact. energy: -2.671 local terms energy: -550.965381 where: bonds (distance) C4'-P energy: -108.599 bonds (distance) P-C4' energy: -102.104 flat angles C4'-P-C4' energy: -123.150 flat angles P-C4'-P energy: -77.900 tors. eta vs tors. theta energy: -139.212 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: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1588.468772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.468772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.468772 (E_RNA) where: Base-Base interactions energy: -1052.358 where: short stacking energy: -459.331 Base-Backbone interact. energy: -2.271 local terms energy: -533.839905 where: bonds (distance) C4'-P energy: -105.050 bonds (distance) P-C4' energy: -112.913 flat angles C4'-P-C4' energy: -116.515 flat angles P-C4'-P energy: -72.734 tors. eta vs tors. theta energy: -126.629 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: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1428.780867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.780867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.780867 (E_RNA) where: Base-Base interactions energy: -954.326 where: short stacking energy: -435.152 Base-Backbone interact. energy: -1.656 local terms energy: -472.799468 where: bonds (distance) C4'-P energy: -98.887 bonds (distance) P-C4' energy: -98.347 flat angles C4'-P-C4' energy: -113.818 flat angles P-C4'-P energy: -53.932 tors. eta vs tors. theta energy: -107.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1364.222185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.222185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.222185 (E_RNA) where: Base-Base interactions energy: -906.648 where: short stacking energy: -428.349 Base-Backbone interact. energy: -2.801 local terms energy: -454.773163 where: bonds (distance) C4'-P energy: -93.507 bonds (distance) P-C4' energy: -86.614 flat angles C4'-P-C4' energy: -96.654 flat angles P-C4'-P energy: -72.068 tors. eta vs tors. theta energy: -105.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1217.000887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.000887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.000887 (E_RNA) where: Base-Base interactions energy: -772.778 where: short stacking energy: -361.655 Base-Backbone interact. energy: 1.687 local terms energy: -445.910027 where: bonds (distance) C4'-P energy: -95.450 bonds (distance) P-C4' energy: -113.602 flat angles C4'-P-C4' energy: -102.581 flat angles P-C4'-P energy: -60.704 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: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1039.006542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.006542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.006542 (E_RNA) where: Base-Base interactions energy: -629.534 where: short stacking energy: -298.663 Base-Backbone interact. energy: -0.702 local terms energy: -408.770857 where: bonds (distance) C4'-P energy: -89.609 bonds (distance) P-C4' energy: -101.656 flat angles C4'-P-C4' energy: -97.895 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: -60.727 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: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -843.947296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.947296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.947296 (E_RNA) where: Base-Base interactions energy: -491.655 where: short stacking energy: -251.837 Base-Backbone interact. energy: -2.341 local terms energy: -349.951778 where: bonds (distance) C4'-P energy: -93.242 bonds (distance) P-C4' energy: -84.856 flat angles C4'-P-C4' energy: -92.058 flat angles P-C4'-P energy: -53.157 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: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -560.781490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.781490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.781490 (E_RNA) where: Base-Base interactions energy: -290.715 where: short stacking energy: -174.741 Base-Backbone interact. energy: 2.788 local terms energy: -272.854366 where: bonds (distance) C4'-P energy: -87.777 bonds (distance) P-C4' energy: -94.557 flat angles C4'-P-C4' energy: -76.215 flat angles P-C4'-P energy: -25.818 tors. eta vs tors. theta energy: 11.512 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: 434 Temperature: 1.350000 Total energy: -542.726443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.726443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.726443 (E_RNA) where: Base-Base interactions energy: -246.780 where: short stacking energy: -140.775 Base-Backbone interact. energy: 7.536 local terms energy: -303.482783 where: bonds (distance) C4'-P energy: -90.748 bonds (distance) P-C4' energy: -90.809 flat angles C4'-P-C4' energy: -78.835 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1802.840058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.840058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.840058 (E_RNA) where: Base-Base interactions energy: -1210.449 where: short stacking energy: -533.889 Base-Backbone interact. energy: -3.621 local terms energy: -588.769611 where: bonds (distance) C4'-P energy: -118.763 bonds (distance) P-C4' energy: -111.210 flat angles C4'-P-C4' energy: -121.857 flat angles P-C4'-P energy: -81.339 tors. eta vs tors. theta energy: -155.600 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: 435 Temperature: 0.950000 Total energy: -1705.140094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.140094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.140094 (E_RNA) where: Base-Base interactions energy: -1140.828 where: short stacking energy: -528.694 Base-Backbone interact. energy: -0.721 local terms energy: -563.591223 where: bonds (distance) C4'-P energy: -103.487 bonds (distance) P-C4' energy: -104.231 flat angles C4'-P-C4' energy: -124.567 flat angles P-C4'-P energy: -81.906 tors. eta vs tors. theta energy: -149.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1577.740035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.740035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.740035 (E_RNA) where: Base-Base interactions energy: -1060.482 where: short stacking energy: -471.152 Base-Backbone interact. energy: -2.289 local terms energy: -514.969248 where: bonds (distance) C4'-P energy: -102.635 bonds (distance) P-C4' energy: -108.383 flat angles C4'-P-C4' energy: -108.825 flat angles P-C4'-P energy: -68.453 tors. eta vs tors. theta energy: -126.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1486.141510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.141510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.141510 (E_RNA) where: Base-Base interactions energy: -974.321 where: short stacking energy: -459.110 Base-Backbone interact. energy: -2.313 local terms energy: -509.507109 where: bonds (distance) C4'-P energy: -99.155 bonds (distance) P-C4' energy: -101.424 flat angles C4'-P-C4' energy: -118.772 flat angles P-C4'-P energy: -71.861 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: 5, replica: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1369.491200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.491200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.491200 (E_RNA) where: Base-Base interactions energy: -896.386 where: short stacking energy: -414.424 Base-Backbone interact. energy: -2.554 local terms energy: -470.550639 where: bonds (distance) C4'-P energy: -96.972 bonds (distance) P-C4' energy: -89.903 flat angles C4'-P-C4' energy: -104.505 flat angles P-C4'-P energy: -64.876 tors. eta vs tors. theta energy: -114.295 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: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1177.698542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.698542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.698542 (E_RNA) where: Base-Base interactions energy: -761.485 where: short stacking energy: -343.576 Base-Backbone interact. energy: 1.378 local terms energy: -417.591212 where: bonds (distance) C4'-P energy: -90.956 bonds (distance) P-C4' energy: -108.915 flat angles C4'-P-C4' energy: -96.648 flat angles P-C4'-P energy: -48.292 tors. eta vs tors. theta energy: -72.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1137.039796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.039796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.039796 (E_RNA) where: Base-Base interactions energy: -706.553 where: short stacking energy: -351.458 Base-Backbone interact. energy: -3.529 local terms energy: -426.957717 where: bonds (distance) C4'-P energy: -82.644 bonds (distance) P-C4' energy: -98.465 flat angles C4'-P-C4' energy: -93.016 flat angles P-C4'-P energy: -64.730 tors. eta vs tors. theta energy: -88.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -825.568177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.568177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.568177 (E_RNA) where: Base-Base interactions energy: -482.668 where: short stacking energy: -261.311 Base-Backbone interact. energy: 0.040 local terms energy: -342.939989 where: bonds (distance) C4'-P energy: -77.748 bonds (distance) P-C4' energy: -74.045 flat angles C4'-P-C4' energy: -92.258 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -34.322 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: 435 Temperature: 1.300000 Total energy: -575.454524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.454524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.454524 (E_RNA) where: Base-Base interactions energy: -287.373 where: short stacking energy: -173.619 Base-Backbone interact. energy: -0.466 local terms energy: -287.616266 where: bonds (distance) C4'-P energy: -78.025 bonds (distance) P-C4' energy: -96.595 flat angles C4'-P-C4' energy: -73.248 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: 11.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -578.458764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.458764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.458764 (E_RNA) where: Base-Base interactions energy: -252.931 where: short stacking energy: -169.392 Base-Backbone interact. energy: -0.272 local terms energy: -325.256213 where: bonds (distance) C4'-P energy: -91.124 bonds (distance) P-C4' energy: -89.863 flat angles C4'-P-C4' energy: -87.308 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: 13.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1788.712214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.712214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.712214 (E_RNA) where: Base-Base interactions energy: -1242.764 where: short stacking energy: -559.877 Base-Backbone interact. energy: -1.031 local terms energy: -544.917363 where: bonds (distance) C4'-P energy: -106.868 bonds (distance) P-C4' energy: -104.810 flat angles C4'-P-C4' energy: -112.590 flat angles P-C4'-P energy: -71.505 tors. eta vs tors. theta energy: -149.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1685.040285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.040285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.040285 (E_RNA) where: Base-Base interactions energy: -1136.872 where: short stacking energy: -529.068 Base-Backbone interact. energy: -3.283 local terms energy: -544.884925 where: bonds (distance) C4'-P energy: -105.167 bonds (distance) P-C4' energy: -106.445 flat angles C4'-P-C4' energy: -110.166 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -143.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1582.871422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.871422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.871422 (E_RNA) where: Base-Base interactions energy: -1049.001 where: short stacking energy: -456.869 Base-Backbone interact. energy: -5.296 local terms energy: -528.573983 where: bonds (distance) C4'-P energy: -102.823 bonds (distance) P-C4' energy: -112.558 flat angles C4'-P-C4' energy: -115.895 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: -122.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1444.604704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.604704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.604704 (E_RNA) where: Base-Base interactions energy: -954.235 where: short stacking energy: -410.450 Base-Backbone interact. energy: -2.338 local terms energy: -488.032089 where: bonds (distance) C4'-P energy: -94.331 bonds (distance) P-C4' energy: -109.763 flat angles C4'-P-C4' energy: -107.340 flat angles P-C4'-P energy: -66.219 tors. eta vs tors. theta energy: -110.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1384.559391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.559391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.559391 (E_RNA) where: Base-Base interactions energy: -915.429 where: short stacking energy: -436.903 Base-Backbone interact. energy: 3.558 local terms energy: -472.687962 where: bonds (distance) C4'-P energy: -87.948 bonds (distance) P-C4' energy: -98.409 flat angles C4'-P-C4' energy: -109.527 flat angles P-C4'-P energy: -69.712 tors. eta vs tors. theta energy: -107.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1204.156525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.156525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.156525 (E_RNA) where: Base-Base interactions energy: -761.764 where: short stacking energy: -340.162 Base-Backbone interact. energy: -2.959 local terms energy: -439.433746 where: bonds (distance) C4'-P energy: -102.708 bonds (distance) P-C4' energy: -96.638 flat angles C4'-P-C4' energy: -109.480 flat angles P-C4'-P energy: -58.289 tors. eta vs tors. theta energy: -72.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -989.568995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.568995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.568995 (E_RNA) where: Base-Base interactions energy: -607.135 where: short stacking energy: -295.102 Base-Backbone interact. energy: -2.188 local terms energy: -380.245697 where: bonds (distance) C4'-P energy: -73.552 bonds (distance) P-C4' energy: -110.773 flat angles C4'-P-C4' energy: -89.373 flat angles P-C4'-P energy: -51.404 tors. eta vs tors. theta energy: -55.144 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: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -843.162794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.162794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.162794 (E_RNA) where: Base-Base interactions energy: -485.667 where: short stacking energy: -223.653 Base-Backbone interact. energy: 0.268 local terms energy: -357.763960 where: bonds (distance) C4'-P energy: -79.145 bonds (distance) P-C4' energy: -106.768 flat angles C4'-P-C4' energy: -85.646 flat angles P-C4'-P energy: -56.446 tors. eta vs tors. theta energy: -29.758 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: 436 Temperature: 1.300000 Total energy: -592.052396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.052396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.052396 (E_RNA) where: Base-Base interactions energy: -277.509 where: short stacking energy: -177.013 Base-Backbone interact. energy: 2.038 local terms energy: -316.581599 where: bonds (distance) C4'-P energy: -87.813 bonds (distance) P-C4' energy: -93.907 flat angles C4'-P-C4' energy: -86.847 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -564.888055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.888055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.888055 (E_RNA) where: Base-Base interactions energy: -256.432 where: short stacking energy: -148.933 Base-Backbone interact. energy: -3.842 local terms energy: -304.614317 where: bonds (distance) C4'-P energy: -94.744 bonds (distance) P-C4' energy: -86.186 flat angles C4'-P-C4' energy: -76.716 flat angles P-C4'-P energy: -50.621 tors. eta vs tors. theta energy: 3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1784.442776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.442776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.442776 (E_RNA) where: Base-Base interactions energy: -1224.804 where: short stacking energy: -557.191 Base-Backbone interact. energy: -2.160 local terms energy: -557.479126 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -111.954 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -66.501 tors. eta vs tors. theta energy: -161.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1717.974524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.974524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.974524 (E_RNA) where: Base-Base interactions energy: -1164.557 where: short stacking energy: -535.572 Base-Backbone interact. energy: 1.265 local terms energy: -554.683104 where: bonds (distance) C4'-P energy: -102.465 bonds (distance) P-C4' energy: -105.835 flat angles C4'-P-C4' energy: -125.289 flat angles P-C4'-P energy: -70.953 tors. eta vs tors. theta energy: -150.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1590.276869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.276869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.276869 (E_RNA) where: Base-Base interactions energy: -1057.235 where: short stacking energy: -458.514 Base-Backbone interact. energy: -4.084 local terms energy: -528.958011 where: bonds (distance) C4'-P energy: -106.902 bonds (distance) P-C4' energy: -102.408 flat angles C4'-P-C4' energy: -104.875 flat angles P-C4'-P energy: -82.135 tors. eta vs tors. theta energy: -132.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1428.397230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.397230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.397230 (E_RNA) where: Base-Base interactions energy: -920.174 where: short stacking energy: -414.773 Base-Backbone interact. energy: -0.241 local terms energy: -507.982177 where: bonds (distance) C4'-P energy: -96.253 bonds (distance) P-C4' energy: -99.414 flat angles C4'-P-C4' energy: -123.091 flat angles P-C4'-P energy: -76.245 tors. eta vs tors. theta energy: -112.979 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: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1409.829654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.829654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.829654 (E_RNA) where: Base-Base interactions energy: -935.626 where: short stacking energy: -430.111 Base-Backbone interact. energy: 3.512 local terms energy: -477.715905 where: bonds (distance) C4'-P energy: -91.730 bonds (distance) P-C4' energy: -108.946 flat angles C4'-P-C4' energy: -101.986 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: -98.528 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: 437 Temperature: 1.150000 Total energy: -1177.197141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.197141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.197141 (E_RNA) where: Base-Base interactions energy: -737.595 where: short stacking energy: -376.858 Base-Backbone interact. energy: 0.968 local terms energy: -440.570212 where: bonds (distance) C4'-P energy: -101.011 bonds (distance) P-C4' energy: -91.266 flat angles C4'-P-C4' energy: -99.369 flat angles P-C4'-P energy: -60.008 tors. eta vs tors. theta energy: -88.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1004.566179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.566179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.566179 (E_RNA) where: Base-Base interactions energy: -609.529 where: short stacking energy: -307.054 Base-Backbone interact. energy: -0.935 local terms energy: -394.102297 where: bonds (distance) C4'-P energy: -94.907 bonds (distance) P-C4' energy: -81.754 flat angles C4'-P-C4' energy: -104.112 flat angles P-C4'-P energy: -58.720 tors. eta vs tors. theta energy: -54.610 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: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -845.283881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.283881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.283881 (E_RNA) where: Base-Base interactions energy: -483.085 where: short stacking energy: -249.361 Base-Backbone interact. energy: 0.430 local terms energy: -362.629275 where: bonds (distance) C4'-P energy: -81.837 bonds (distance) P-C4' energy: -82.695 flat angles C4'-P-C4' energy: -99.970 flat angles P-C4'-P energy: -60.186 tors. eta vs tors. theta energy: -37.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -607.212570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.212570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.212570 (E_RNA) where: Base-Base interactions energy: -308.686 where: short stacking energy: -178.073 Base-Backbone interact. energy: 4.096 local terms energy: -302.623050 where: bonds (distance) C4'-P energy: -96.467 bonds (distance) P-C4' energy: -86.478 flat angles C4'-P-C4' energy: -67.407 flat angles P-C4'-P energy: -52.169 tors. eta vs tors. theta energy: -0.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -556.631940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.631940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.631940 (E_RNA) where: Base-Base interactions energy: -285.006 where: short stacking energy: -162.491 Base-Backbone interact. energy: 1.918 local terms energy: -273.543878 where: bonds (distance) C4'-P energy: -81.190 bonds (distance) P-C4' energy: -100.587 flat angles C4'-P-C4' energy: -52.596 flat angles P-C4'-P energy: -42.911 tors. eta vs tors. theta energy: 3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1812.106116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.106116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.106116 (E_RNA) where: Base-Base interactions energy: -1234.498 where: short stacking energy: -550.488 Base-Backbone interact. energy: 2.321 local terms energy: -579.929357 where: bonds (distance) C4'-P energy: -105.737 bonds (distance) P-C4' energy: -106.364 flat angles C4'-P-C4' energy: -122.741 flat angles P-C4'-P energy: -88.611 tors. eta vs tors. theta energy: -156.476 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: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1738.685296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.685296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.685296 (E_RNA) where: Base-Base interactions energy: -1174.505 where: short stacking energy: -523.226 Base-Backbone interact. energy: 0.436 local terms energy: -564.616411 where: bonds (distance) C4'-P energy: -94.866 bonds (distance) P-C4' energy: -114.382 flat angles C4'-P-C4' energy: -128.186 flat angles P-C4'-P energy: -84.589 tors. eta vs tors. theta energy: -142.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1630.848394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.848394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.848394 (E_RNA) where: Base-Base interactions energy: -1069.410 where: short stacking energy: -457.326 Base-Backbone interact. energy: -5.322 local terms energy: -556.116174 where: bonds (distance) C4'-P energy: -105.106 bonds (distance) P-C4' energy: -125.705 flat angles C4'-P-C4' energy: -111.149 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -133.541 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: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1405.235514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.235514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.235514 (E_RNA) where: Base-Base interactions energy: -921.621 where: short stacking energy: -431.730 Base-Backbone interact. energy: -2.387 local terms energy: -481.227584 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -94.969 flat angles C4'-P-C4' energy: -119.098 flat angles P-C4'-P energy: -75.639 tors. eta vs tors. theta energy: -96.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1345.857061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.857061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.857061 (E_RNA) where: Base-Base interactions energy: -880.732 where: short stacking energy: -391.558 Base-Backbone interact. energy: 0.811 local terms energy: -465.936152 where: bonds (distance) C4'-P energy: -86.869 bonds (distance) P-C4' energy: -103.615 flat angles C4'-P-C4' energy: -114.302 flat angles P-C4'-P energy: -70.881 tors. eta vs tors. theta energy: -90.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1210.524796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.524796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.524796 (E_RNA) where: Base-Base interactions energy: -793.044 where: short stacking energy: -356.797 Base-Backbone interact. energy: -1.392 local terms energy: -416.088337 where: bonds (distance) C4'-P energy: -90.437 bonds (distance) P-C4' energy: -105.467 flat angles C4'-P-C4' energy: -97.706 flat angles P-C4'-P energy: -48.534 tors. eta vs tors. theta energy: -73.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1034.318152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.318152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.318152 (E_RNA) where: Base-Base interactions energy: -632.119 where: short stacking energy: -307.471 Base-Backbone interact. energy: -0.376 local terms energy: -401.822772 where: bonds (distance) C4'-P energy: -96.308 bonds (distance) P-C4' energy: -93.098 flat angles C4'-P-C4' energy: -84.330 flat angles P-C4'-P energy: -57.227 tors. eta vs tors. theta energy: -70.859 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: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -848.777379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.777379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.777379 (E_RNA) where: Base-Base interactions energy: -497.655 where: short stacking energy: -262.411 Base-Backbone interact. energy: -2.116 local terms energy: -349.006419 where: bonds (distance) C4'-P energy: -82.764 bonds (distance) P-C4' energy: -85.256 flat angles C4'-P-C4' energy: -79.791 flat angles P-C4'-P energy: -48.040 tors. eta vs tors. theta energy: -53.156 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: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -598.707948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.707948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.707948 (E_RNA) where: Base-Base interactions energy: -297.719 where: short stacking energy: -177.808 Base-Backbone interact. energy: 7.309 local terms energy: -308.297956 where: bonds (distance) C4'-P energy: -86.310 bonds (distance) P-C4' energy: -80.320 flat angles C4'-P-C4' energy: -91.201 flat angles P-C4'-P energy: -53.497 tors. eta vs tors. theta energy: 3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -574.213465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.213465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.213465 (E_RNA) where: Base-Base interactions energy: -280.341 where: short stacking energy: -176.133 Base-Backbone interact. energy: 1.473 local terms energy: -295.345792 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -83.461 flat angles C4'-P-C4' energy: -74.832 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: 7.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1822.307847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.307847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.307847 (E_RNA) where: Base-Base interactions energy: -1248.849 where: short stacking energy: -574.408 Base-Backbone interact. energy: 0.539 local terms energy: -573.998364 where: bonds (distance) C4'-P energy: -101.013 bonds (distance) P-C4' energy: -113.983 flat angles C4'-P-C4' energy: -119.370 flat angles P-C4'-P energy: -75.311 tors. eta vs tors. theta energy: -164.321 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1715.597274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.597274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.597274 (E_RNA) where: Base-Base interactions energy: -1158.261 where: short stacking energy: -538.570 Base-Backbone interact. energy: -1.975 local terms energy: -555.360392 where: bonds (distance) C4'-P energy: -110.244 bonds (distance) P-C4' energy: -107.684 flat angles C4'-P-C4' energy: -112.085 flat angles P-C4'-P energy: -71.811 tors. eta vs tors. theta energy: -153.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1610.107674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.107674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.107674 (E_RNA) where: Base-Base interactions energy: -1061.273 where: short stacking energy: -464.644 Base-Backbone interact. energy: -2.890 local terms energy: -545.944746 where: bonds (distance) C4'-P energy: -102.669 bonds (distance) P-C4' energy: -98.758 flat angles C4'-P-C4' energy: -134.841 flat angles P-C4'-P energy: -79.159 tors. eta vs tors. theta energy: -130.518 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: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1432.523169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.523169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.523169 (E_RNA) where: Base-Base interactions energy: -936.836 where: short stacking energy: -417.514 Base-Backbone interact. energy: -2.163 local terms energy: -493.523611 where: bonds (distance) C4'-P energy: -97.366 bonds (distance) P-C4' energy: -98.473 flat angles C4'-P-C4' energy: -122.081 flat angles P-C4'-P energy: -66.001 tors. eta vs tors. theta energy: -109.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1345.529904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.529904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.529904 (E_RNA) where: Base-Base interactions energy: -886.065 where: short stacking energy: -385.218 Base-Backbone interact. energy: -2.301 local terms energy: -457.163172 where: bonds (distance) C4'-P energy: -91.767 bonds (distance) P-C4' energy: -97.109 flat angles C4'-P-C4' energy: -103.460 flat angles P-C4'-P energy: -67.585 tors. eta vs tors. theta energy: -97.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1222.463196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.463196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.463196 (E_RNA) where: Base-Base interactions energy: -770.618 where: short stacking energy: -359.248 Base-Backbone interact. energy: -1.682 local terms energy: -450.162590 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -96.729 flat angles C4'-P-C4' energy: -89.371 flat angles P-C4'-P energy: -76.462 tors. eta vs tors. theta energy: -87.856 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: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1016.479982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.479982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.479982 (E_RNA) where: Base-Base interactions energy: -621.423 where: short stacking energy: -307.788 Base-Backbone interact. energy: -0.091 local terms energy: -394.966125 where: bonds (distance) C4'-P energy: -89.303 bonds (distance) P-C4' energy: -89.104 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -46.699 tors. eta vs tors. theta energy: -73.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -920.713683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.713683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.713683 (E_RNA) where: Base-Base interactions energy: -559.941 where: short stacking energy: -280.530 Base-Backbone interact. energy: -3.944 local terms energy: -356.828525 where: bonds (distance) C4'-P energy: -82.566 bonds (distance) P-C4' energy: -95.878 flat angles C4'-P-C4' energy: -86.470 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -40.110 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: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -589.075622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.075622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.075622 (E_RNA) where: Base-Base interactions energy: -275.782 where: short stacking energy: -149.683 Base-Backbone interact. energy: -0.524 local terms energy: -312.769161 where: bonds (distance) C4'-P energy: -80.969 bonds (distance) P-C4' energy: -106.867 flat angles C4'-P-C4' energy: -77.056 flat angles P-C4'-P energy: -47.397 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -558.707136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.707136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.707136 (E_RNA) where: Base-Base interactions energy: -235.812 where: short stacking energy: -130.472 Base-Backbone interact. energy: 7.014 local terms energy: -329.908967 where: bonds (distance) C4'-P energy: -92.002 bonds (distance) P-C4' energy: -107.274 flat angles C4'-P-C4' energy: -84.671 flat angles P-C4'-P energy: -54.261 tors. eta vs tors. theta energy: 8.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1839.848299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.848299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.848299 (E_RNA) where: Base-Base interactions energy: -1251.120 where: short stacking energy: -537.885 Base-Backbone interact. energy: -2.454 local terms energy: -586.273998 where: bonds (distance) C4'-P energy: -110.851 bonds (distance) P-C4' energy: -102.415 flat angles C4'-P-C4' energy: -123.754 flat angles P-C4'-P energy: -89.479 tors. eta vs tors. theta energy: -159.775 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: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1689.119263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.119263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.119263 (E_RNA) where: Base-Base interactions energy: -1128.747 where: short stacking energy: -507.975 Base-Backbone interact. energy: -2.787 local terms energy: -557.584451 where: bonds (distance) C4'-P energy: -108.038 bonds (distance) P-C4' energy: -107.646 flat angles C4'-P-C4' energy: -123.755 flat angles P-C4'-P energy: -74.610 tors. eta vs tors. theta energy: -143.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1595.511409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.511409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.511409 (E_RNA) where: Base-Base interactions energy: -1068.262 where: short stacking energy: -473.714 Base-Backbone interact. energy: -0.077 local terms energy: -527.171726 where: bonds (distance) C4'-P energy: -97.640 bonds (distance) P-C4' energy: -90.569 flat angles C4'-P-C4' energy: -115.968 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -144.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1452.226236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.226236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.226236 (E_RNA) where: Base-Base interactions energy: -976.381 where: short stacking energy: -456.936 Base-Backbone interact. energy: -3.892 local terms energy: -471.953180 where: bonds (distance) C4'-P energy: -85.783 bonds (distance) P-C4' energy: -88.285 flat angles C4'-P-C4' energy: -102.787 flat angles P-C4'-P energy: -69.968 tors. eta vs tors. theta energy: -125.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1364.916099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.916099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.916099 (E_RNA) where: Base-Base interactions energy: -896.369 where: short stacking energy: -408.379 Base-Backbone interact. energy: -1.404 local terms energy: -467.142940 where: bonds (distance) C4'-P energy: -95.371 bonds (distance) P-C4' energy: -101.644 flat angles C4'-P-C4' energy: -98.668 flat angles P-C4'-P energy: -65.764 tors. eta vs tors. theta energy: -105.696 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: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1223.694538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.694538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.694538 (E_RNA) where: Base-Base interactions energy: -795.797 where: short stacking energy: -344.095 Base-Backbone interact. energy: 0.307 local terms energy: -428.204408 where: bonds (distance) C4'-P energy: -92.708 bonds (distance) P-C4' energy: -91.393 flat angles C4'-P-C4' energy: -97.716 flat angles P-C4'-P energy: -63.965 tors. eta vs tors. theta energy: -82.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1020.143013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.143013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.143013 (E_RNA) where: Base-Base interactions energy: -601.733 where: short stacking energy: -284.136 Base-Backbone interact. energy: -1.082 local terms energy: -417.328408 where: bonds (distance) C4'-P energy: -91.566 bonds (distance) P-C4' energy: -109.537 flat angles C4'-P-C4' energy: -88.159 flat angles P-C4'-P energy: -62.462 tors. eta vs tors. theta energy: -65.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -879.914598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.914598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.914598 (E_RNA) where: Base-Base interactions energy: -524.303 where: short stacking energy: -265.152 Base-Backbone interact. energy: 1.272 local terms energy: -356.883702 where: bonds (distance) C4'-P energy: -95.524 bonds (distance) P-C4' energy: -92.719 flat angles C4'-P-C4' energy: -81.165 flat angles P-C4'-P energy: -58.811 tors. eta vs tors. theta energy: -28.664 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: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -638.146714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.146714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.146714 (E_RNA) where: Base-Base interactions energy: -323.141 where: short stacking energy: -184.700 Base-Backbone interact. energy: -1.666 local terms energy: -313.339811 where: bonds (distance) C4'-P energy: -73.874 bonds (distance) P-C4' energy: -96.269 flat angles C4'-P-C4' energy: -96.720 flat angles P-C4'-P energy: -32.266 tors. eta vs tors. theta energy: -14.211 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: 440 Temperature: 1.350000 Total energy: -575.759706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.759706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.759706 (E_RNA) where: Base-Base interactions energy: -280.275 where: short stacking energy: -166.140 Base-Backbone interact. energy: -0.581 local terms energy: -294.903855 where: bonds (distance) C4'-P energy: -83.296 bonds (distance) P-C4' energy: -81.951 flat angles C4'-P-C4' energy: -73.507 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: 2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1801.392987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.392987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.392987 (E_RNA) where: Base-Base interactions energy: -1225.351 where: short stacking energy: -543.405 Base-Backbone interact. energy: -2.365 local terms energy: -573.677477 where: bonds (distance) C4'-P energy: -107.888 bonds (distance) P-C4' energy: -120.400 flat angles C4'-P-C4' energy: -118.191 flat angles P-C4'-P energy: -68.119 tors. eta vs tors. theta energy: -159.080 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: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1695.485842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.485842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.485842 (E_RNA) where: Base-Base interactions energy: -1133.771 where: short stacking energy: -503.639 Base-Backbone interact. energy: -2.244 local terms energy: -559.470837 where: bonds (distance) C4'-P energy: -99.861 bonds (distance) P-C4' energy: -105.297 flat angles C4'-P-C4' energy: -130.497 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: -145.210 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: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1609.079052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.079052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.079052 (E_RNA) where: Base-Base interactions energy: -1068.052 where: short stacking energy: -479.060 Base-Backbone interact. energy: -3.513 local terms energy: -537.513411 where: bonds (distance) C4'-P energy: -113.933 bonds (distance) P-C4' energy: -94.298 flat angles C4'-P-C4' energy: -116.138 flat angles P-C4'-P energy: -74.665 tors. eta vs tors. theta energy: -138.479 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: 441 Temperature: 1.050000 Total energy: -1426.159634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.159634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.159634 (E_RNA) where: Base-Base interactions energy: -920.706 where: short stacking energy: -424.483 Base-Backbone interact. energy: 0.347 local terms energy: -505.800414 where: bonds (distance) C4'-P energy: -104.226 bonds (distance) P-C4' energy: -102.677 flat angles C4'-P-C4' energy: -109.584 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -111.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1368.963165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.963165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.963165 (E_RNA) where: Base-Base interactions energy: -892.118 where: short stacking energy: -424.965 Base-Backbone interact. energy: -2.792 local terms energy: -474.052788 where: bonds (distance) C4'-P energy: -89.143 bonds (distance) P-C4' energy: -101.799 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -66.063 tors. eta vs tors. theta energy: -112.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1196.425364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.425364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.425364 (E_RNA) where: Base-Base interactions energy: -765.398 where: short stacking energy: -348.586 Base-Backbone interact. energy: -1.842 local terms energy: -429.185699 where: bonds (distance) C4'-P energy: -96.652 bonds (distance) P-C4' energy: -106.366 flat angles C4'-P-C4' energy: -85.092 flat angles P-C4'-P energy: -67.760 tors. eta vs tors. theta energy: -73.316 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: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1032.772496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.772496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.772496 (E_RNA) where: Base-Base interactions energy: -661.703 where: short stacking energy: -307.668 Base-Backbone interact. energy: -1.181 local terms energy: -369.888664 where: bonds (distance) C4'-P energy: -94.396 bonds (distance) P-C4' energy: -92.017 flat angles C4'-P-C4' energy: -84.162 flat angles P-C4'-P energy: -43.014 tors. eta vs tors. theta energy: -56.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -848.785037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.785037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.785037 (E_RNA) where: Base-Base interactions energy: -484.792 where: short stacking energy: -240.051 Base-Backbone interact. energy: -0.067 local terms energy: -363.925987 where: bonds (distance) C4'-P energy: -98.750 bonds (distance) P-C4' energy: -87.425 flat angles C4'-P-C4' energy: -94.939 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -21.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -641.631254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.631254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.631254 (E_RNA) where: Base-Base interactions energy: -315.115 where: short stacking energy: -194.536 Base-Backbone interact. energy: 3.095 local terms energy: -329.610874 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -94.317 flat angles C4'-P-C4' energy: -87.874 flat angles P-C4'-P energy: -42.585 tors. eta vs tors. theta energy: -15.846 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: 441 Temperature: 1.350000 Total energy: -541.557475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.557475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.557475 (E_RNA) where: Base-Base interactions energy: -271.379 where: short stacking energy: -162.832 Base-Backbone interact. energy: 3.600 local terms energy: -273.779080 where: bonds (distance) C4'-P energy: -81.314 bonds (distance) P-C4' energy: -88.187 flat angles C4'-P-C4' energy: -81.607 flat angles P-C4'-P energy: -28.034 tors. eta vs tors. theta energy: 5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1790.906220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.906220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.906220 (E_RNA) where: Base-Base interactions energy: -1205.384 where: short stacking energy: -544.015 Base-Backbone interact. energy: -3.408 local terms energy: -582.114100 where: bonds (distance) C4'-P energy: -105.041 bonds (distance) P-C4' energy: -115.884 flat angles C4'-P-C4' energy: -123.194 flat angles P-C4'-P energy: -82.049 tors. eta vs tors. theta energy: -155.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1686.230862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.230862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.230862 (E_RNA) where: Base-Base interactions energy: -1143.408 where: short stacking energy: -524.010 Base-Backbone interact. energy: 0.058 local terms energy: -542.881080 where: bonds (distance) C4'-P energy: -101.835 bonds (distance) P-C4' energy: -103.955 flat angles C4'-P-C4' energy: -117.348 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -142.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1611.189160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.189160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.189160 (E_RNA) where: Base-Base interactions energy: -1077.279 where: short stacking energy: -452.846 Base-Backbone interact. energy: -3.054 local terms energy: -530.855806 where: bonds (distance) C4'-P energy: -102.947 bonds (distance) P-C4' energy: -108.913 flat angles C4'-P-C4' energy: -111.496 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -132.085 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: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1458.208822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.208822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.208822 (E_RNA) where: Base-Base interactions energy: -967.441 where: short stacking energy: -469.014 Base-Backbone interact. energy: -1.309 local terms energy: -489.458986 where: bonds (distance) C4'-P energy: -89.211 bonds (distance) P-C4' energy: -95.086 flat angles C4'-P-C4' energy: -110.441 flat angles P-C4'-P energy: -81.834 tors. eta vs tors. theta energy: -112.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1381.024473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.024473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.024473 (E_RNA) where: Base-Base interactions energy: -916.331 where: short stacking energy: -425.527 Base-Backbone interact. energy: -0.449 local terms energy: -464.245173 where: bonds (distance) C4'-P energy: -93.589 bonds (distance) P-C4' energy: -90.658 flat angles C4'-P-C4' energy: -109.555 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -107.895 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: 6, replica: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1178.897423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.897423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.897423 (E_RNA) where: Base-Base interactions energy: -749.084 where: short stacking energy: -345.166 Base-Backbone interact. energy: -1.736 local terms energy: -428.077565 where: bonds (distance) C4'-P energy: -89.586 bonds (distance) P-C4' energy: -116.838 flat angles C4'-P-C4' energy: -87.902 flat angles P-C4'-P energy: -52.063 tors. eta vs tors. theta energy: -81.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1046.978432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.978432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.978432 (E_RNA) where: Base-Base interactions energy: -634.432 where: short stacking energy: -299.063 Base-Backbone interact. energy: -0.621 local terms energy: -411.925044 where: bonds (distance) C4'-P energy: -113.398 bonds (distance) P-C4' energy: -90.060 flat angles C4'-P-C4' energy: -91.712 flat angles P-C4'-P energy: -50.788 tors. eta vs tors. theta energy: -65.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -869.595774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.595774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.595774 (E_RNA) where: Base-Base interactions energy: -535.473 where: short stacking energy: -260.267 Base-Backbone interact. energy: -3.444 local terms energy: -330.679501 where: bonds (distance) C4'-P energy: -88.860 bonds (distance) P-C4' energy: -76.756 flat angles C4'-P-C4' energy: -89.521 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: -27.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -603.653595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.653595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.653595 (E_RNA) where: Base-Base interactions energy: -283.639 where: short stacking energy: -183.851 Base-Backbone interact. energy: 4.286 local terms energy: -324.301133 where: bonds (distance) C4'-P energy: -95.606 bonds (distance) P-C4' energy: -74.926 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -62.137 tors. eta vs tors. theta energy: -12.717 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: 442 Temperature: 1.350000 Total energy: -570.476927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.476927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.476927 (E_RNA) where: Base-Base interactions energy: -254.419 where: short stacking energy: -150.458 Base-Backbone interact. energy: 4.408 local terms energy: -320.465905 where: bonds (distance) C4'-P energy: -83.231 bonds (distance) P-C4' energy: -102.760 flat angles C4'-P-C4' energy: -96.627 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1792.942687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.942687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.942687 (E_RNA) where: Base-Base interactions energy: -1237.536 where: short stacking energy: -563.821 Base-Backbone interact. energy: -1.117 local terms energy: -554.289278 where: bonds (distance) C4'-P energy: -94.640 bonds (distance) P-C4' energy: -106.361 flat angles C4'-P-C4' energy: -117.582 flat angles P-C4'-P energy: -85.271 tors. eta vs tors. theta energy: -150.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1727.790747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.790747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.790747 (E_RNA) where: Base-Base interactions energy: -1171.859 where: short stacking energy: -520.354 Base-Backbone interact. energy: 4.308 local terms energy: -560.240003 where: bonds (distance) C4'-P energy: -116.726 bonds (distance) P-C4' energy: -92.805 flat angles C4'-P-C4' energy: -116.362 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -148.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1645.602848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.602848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.602848 (E_RNA) where: Base-Base interactions energy: -1105.765 where: short stacking energy: -489.288 Base-Backbone interact. energy: -3.816 local terms energy: -536.021840 where: bonds (distance) C4'-P energy: -104.889 bonds (distance) P-C4' energy: -96.897 flat angles C4'-P-C4' energy: -119.522 flat angles P-C4'-P energy: -68.627 tors. eta vs tors. theta energy: -146.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1487.867309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.867309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.867309 (E_RNA) where: Base-Base interactions energy: -974.120 where: short stacking energy: -468.940 Base-Backbone interact. energy: -2.857 local terms energy: -510.889984 where: bonds (distance) C4'-P energy: -97.062 bonds (distance) P-C4' energy: -102.117 flat angles C4'-P-C4' energy: -120.000 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -123.420 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: 443 Temperature: 1.100000 Total energy: -1412.236818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.236818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.236818 (E_RNA) where: Base-Base interactions energy: -934.098 where: short stacking energy: -443.773 Base-Backbone interact. energy: 0.573 local terms energy: -478.711678 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -98.824 flat angles C4'-P-C4' energy: -109.428 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -119.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1208.201366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.201366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.201366 (E_RNA) where: Base-Base interactions energy: -751.144 where: short stacking energy: -344.436 Base-Backbone interact. energy: -0.719 local terms energy: -456.338345 where: bonds (distance) C4'-P energy: -108.960 bonds (distance) P-C4' energy: -98.854 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -63.850 tors. eta vs tors. theta energy: -83.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1049.376008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.376008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.376008 (E_RNA) where: Base-Base interactions energy: -635.667 where: short stacking energy: -305.692 Base-Backbone interact. energy: -0.976 local terms energy: -412.732424 where: bonds (distance) C4'-P energy: -86.341 bonds (distance) P-C4' energy: -95.781 flat angles C4'-P-C4' energy: -102.063 flat angles P-C4'-P energy: -60.016 tors. eta vs tors. theta energy: -68.532 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: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -834.812095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.812095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.812095 (E_RNA) where: Base-Base interactions energy: -475.217 where: short stacking energy: -228.500 Base-Backbone interact. energy: 0.768 local terms energy: -360.363853 where: bonds (distance) C4'-P energy: -108.657 bonds (distance) P-C4' energy: -94.488 flat angles C4'-P-C4' energy: -84.958 flat angles P-C4'-P energy: -46.732 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: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -595.389833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.389833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.389833 (E_RNA) where: Base-Base interactions energy: -288.328 where: short stacking energy: -179.699 Base-Backbone interact. energy: 5.628 local terms energy: -312.690461 where: bonds (distance) C4'-P energy: -86.337 bonds (distance) P-C4' energy: -108.912 flat angles C4'-P-C4' energy: -71.660 flat angles P-C4'-P energy: -52.629 tors. eta vs tors. theta energy: 6.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -597.986779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.986779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.986779 (E_RNA) where: Base-Base interactions energy: -318.928 where: short stacking energy: -183.043 Base-Backbone interact. energy: 8.529 local terms energy: -287.587568 where: bonds (distance) C4'-P energy: -72.578 bonds (distance) P-C4' energy: -89.232 flat angles C4'-P-C4' energy: -63.967 flat angles P-C4'-P energy: -55.115 tors. eta vs tors. theta energy: -6.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1806.429890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.429890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.429890 (E_RNA) where: Base-Base interactions energy: -1224.430 where: short stacking energy: -554.438 Base-Backbone interact. energy: 0.444 local terms energy: -582.443577 where: bonds (distance) C4'-P energy: -107.383 bonds (distance) P-C4' energy: -113.019 flat angles C4'-P-C4' energy: -124.265 flat angles P-C4'-P energy: -88.324 tors. eta vs tors. theta energy: -149.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1724.875296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.875296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.875296 (E_RNA) where: Base-Base interactions energy: -1168.960 where: short stacking energy: -526.442 Base-Backbone interact. energy: 6.220 local terms energy: -562.135419 where: bonds (distance) C4'-P energy: -105.798 bonds (distance) P-C4' energy: -105.537 flat angles C4'-P-C4' energy: -126.315 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -145.333 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1644.720400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.720400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.720400 (E_RNA) where: Base-Base interactions energy: -1117.104 where: short stacking energy: -472.209 Base-Backbone interact. energy: -1.614 local terms energy: -526.002032 where: bonds (distance) C4'-P energy: -95.327 bonds (distance) P-C4' energy: -93.959 flat angles C4'-P-C4' energy: -118.102 flat angles P-C4'-P energy: -82.409 tors. eta vs tors. theta energy: -136.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1437.656289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.656289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.656289 (E_RNA) where: Base-Base interactions energy: -945.956 where: short stacking energy: -434.967 Base-Backbone interact. energy: -3.518 local terms energy: -488.182191 where: bonds (distance) C4'-P energy: -99.627 bonds (distance) P-C4' energy: -100.716 flat angles C4'-P-C4' energy: -113.189 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -114.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1400.092369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.092369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.092369 (E_RNA) where: Base-Base interactions energy: -941.184 where: short stacking energy: -423.887 Base-Backbone interact. energy: -1.044 local terms energy: -457.864226 where: bonds (distance) C4'-P energy: -90.439 bonds (distance) P-C4' energy: -95.759 flat angles C4'-P-C4' energy: -110.374 flat angles P-C4'-P energy: -60.631 tors. eta vs tors. theta energy: -100.661 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: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1206.526197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.526197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.526197 (E_RNA) where: Base-Base interactions energy: -781.094 where: short stacking energy: -367.061 Base-Backbone interact. energy: -0.924 local terms energy: -424.508824 where: bonds (distance) C4'-P energy: -81.088 bonds (distance) P-C4' energy: -98.007 flat angles C4'-P-C4' energy: -102.618 flat angles P-C4'-P energy: -65.916 tors. eta vs tors. theta energy: -76.880 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: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1024.794502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.794502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.794502 (E_RNA) where: Base-Base interactions energy: -644.311 where: short stacking energy: -301.862 Base-Backbone interact. energy: 2.160 local terms energy: -382.643236 where: bonds (distance) C4'-P energy: -101.448 bonds (distance) P-C4' energy: -81.971 flat angles C4'-P-C4' energy: -90.514 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -48.107 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: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -890.614630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.614630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.614630 (E_RNA) where: Base-Base interactions energy: -507.861 where: short stacking energy: -271.573 Base-Backbone interact. energy: -0.300 local terms energy: -382.453409 where: bonds (distance) C4'-P energy: -90.956 bonds (distance) P-C4' energy: -91.861 flat angles C4'-P-C4' energy: -89.824 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: -51.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -633.099138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.099138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.099138 (E_RNA) where: Base-Base interactions energy: -318.956 where: short stacking energy: -186.035 Base-Backbone interact. energy: 3.003 local terms energy: -317.145620 where: bonds (distance) C4'-P energy: -83.294 bonds (distance) P-C4' energy: -98.008 flat angles C4'-P-C4' energy: -83.959 flat angles P-C4'-P energy: -50.453 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -554.883879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.883879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.883879 (E_RNA) where: Base-Base interactions energy: -263.766 where: short stacking energy: -154.887 Base-Backbone interact. energy: -0.587 local terms energy: -290.530646 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -79.744 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -57.822 tors. eta vs tors. theta energy: 6.223 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: 445 Temperature: 0.900000 Total energy: -1798.375495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.375495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.375495 (E_RNA) where: Base-Base interactions energy: -1212.880 where: short stacking energy: -546.517 Base-Backbone interact. energy: -0.663 local terms energy: -584.832041 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -124.328 flat angles C4'-P-C4' energy: -119.432 flat angles P-C4'-P energy: -84.184 tors. eta vs tors. theta energy: -149.444 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: 445 Temperature: 0.950000 Total energy: -1750.199373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.199373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.199373 (E_RNA) where: Base-Base interactions energy: -1168.984 where: short stacking energy: -536.199 Base-Backbone interact. energy: 1.663 local terms energy: -582.877896 where: bonds (distance) C4'-P energy: -107.975 bonds (distance) P-C4' energy: -105.647 flat angles C4'-P-C4' energy: -119.366 flat angles P-C4'-P energy: -84.623 tors. eta vs tors. theta energy: -165.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1614.885342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.885342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.885342 (E_RNA) where: Base-Base interactions energy: -1089.161 where: short stacking energy: -480.518 Base-Backbone interact. energy: 1.772 local terms energy: -527.496728 where: bonds (distance) C4'-P energy: -101.230 bonds (distance) P-C4' energy: -110.327 flat angles C4'-P-C4' energy: -108.984 flat angles P-C4'-P energy: -76.242 tors. eta vs tors. theta energy: -130.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1464.193517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.193517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.193517 (E_RNA) where: Base-Base interactions energy: -975.284 where: short stacking energy: -425.910 Base-Backbone interact. energy: -0.264 local terms energy: -488.645508 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -110.414 flat angles C4'-P-C4' energy: -110.881 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -104.392 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: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1377.490415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.490415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.490415 (E_RNA) where: Base-Base interactions energy: -893.111 where: short stacking energy: -381.457 Base-Backbone interact. energy: -3.127 local terms energy: -481.252778 where: bonds (distance) C4'-P energy: -99.610 bonds (distance) P-C4' energy: -96.565 flat angles C4'-P-C4' energy: -111.050 flat angles P-C4'-P energy: -70.434 tors. eta vs tors. theta energy: -103.595 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: 445 Temperature: 1.150000 Total energy: -1233.460555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.460555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.460555 (E_RNA) where: Base-Base interactions energy: -794.288 where: short stacking energy: -356.478 Base-Backbone interact. energy: 1.134 local terms energy: -440.306337 where: bonds (distance) C4'-P energy: -103.019 bonds (distance) P-C4' energy: -104.583 flat angles C4'-P-C4' energy: -84.083 flat angles P-C4'-P energy: -60.853 tors. eta vs tors. theta energy: -87.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1050.961821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.961821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.961821 (E_RNA) where: Base-Base interactions energy: -652.396 where: short stacking energy: -312.553 Base-Backbone interact. energy: -3.052 local terms energy: -395.513503 where: bonds (distance) C4'-P energy: -91.448 bonds (distance) P-C4' energy: -96.377 flat angles C4'-P-C4' energy: -101.691 flat angles P-C4'-P energy: -49.930 tors. eta vs tors. theta energy: -56.067 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: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -857.263457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.263457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.263457 (E_RNA) where: Base-Base interactions energy: -498.027 where: short stacking energy: -256.596 Base-Backbone interact. energy: 3.706 local terms energy: -362.942068 where: bonds (distance) C4'-P energy: -93.660 bonds (distance) P-C4' energy: -94.255 flat angles C4'-P-C4' energy: -92.990 flat angles P-C4'-P energy: -47.941 tors. eta vs tors. theta energy: -34.095 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: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -593.916143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.916143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.916143 (E_RNA) where: Base-Base interactions energy: -263.269 where: short stacking energy: -169.686 Base-Backbone interact. energy: 1.598 local terms energy: -332.245289 where: bonds (distance) C4'-P energy: -85.945 bonds (distance) P-C4' energy: -103.550 flat angles C4'-P-C4' energy: -91.227 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: 6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -540.248779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.248779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.248779 (E_RNA) where: Base-Base interactions energy: -251.513 where: short stacking energy: -141.543 Base-Backbone interact. energy: -4.315 local terms energy: -284.421146 where: bonds (distance) C4'-P energy: -92.102 bonds (distance) P-C4' energy: -90.982 flat angles C4'-P-C4' energy: -72.014 flat angles P-C4'-P energy: -42.444 tors. eta vs tors. theta energy: 13.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1794.385651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.385651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.385651 (E_RNA) where: Base-Base interactions energy: -1204.744 where: short stacking energy: -563.995 Base-Backbone interact. energy: -1.839 local terms energy: -587.802561 where: bonds (distance) C4'-P energy: -107.606 bonds (distance) P-C4' energy: -108.149 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -84.326 tors. eta vs tors. theta energy: -157.809 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: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1740.161476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.161476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.161476 (E_RNA) where: Base-Base interactions energy: -1173.871 where: short stacking energy: -533.840 Base-Backbone interact. energy: 5.331 local terms energy: -571.620849 where: bonds (distance) C4'-P energy: -115.210 bonds (distance) P-C4' energy: -105.607 flat angles C4'-P-C4' energy: -118.536 flat angles P-C4'-P energy: -82.971 tors. eta vs tors. theta energy: -149.296 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: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1641.500304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.500304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.500304 (E_RNA) where: Base-Base interactions energy: -1092.081 where: short stacking energy: -489.600 Base-Backbone interact. energy: -3.430 local terms energy: -545.989141 where: bonds (distance) C4'-P energy: -104.177 bonds (distance) P-C4' energy: -107.068 flat angles C4'-P-C4' energy: -124.444 flat angles P-C4'-P energy: -69.151 tors. eta vs tors. theta energy: -141.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1457.394294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.394294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.394294 (E_RNA) where: Base-Base interactions energy: -936.181 where: short stacking energy: -434.926 Base-Backbone interact. energy: -0.975 local terms energy: -520.237952 where: bonds (distance) C4'-P energy: -113.700 bonds (distance) P-C4' energy: -112.730 flat angles C4'-P-C4' energy: -113.024 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -116.988 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: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1381.497112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.497112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.497112 (E_RNA) where: Base-Base interactions energy: -910.137 where: short stacking energy: -412.153 Base-Backbone interact. energy: -0.153 local terms energy: -471.207598 where: bonds (distance) C4'-P energy: -80.611 bonds (distance) P-C4' energy: -112.417 flat angles C4'-P-C4' energy: -105.732 flat angles P-C4'-P energy: -71.338 tors. eta vs tors. theta energy: -101.109 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: 6, replica: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1282.095062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.095062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.095062 (E_RNA) where: Base-Base interactions energy: -830.638 where: short stacking energy: -390.354 Base-Backbone interact. energy: -0.623 local terms energy: -450.834884 where: bonds (distance) C4'-P energy: -71.562 bonds (distance) P-C4' energy: -100.670 flat angles C4'-P-C4' energy: -106.905 flat angles P-C4'-P energy: -71.696 tors. eta vs tors. theta energy: -100.002 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: 446 Temperature: 1.200000 Total energy: -1027.442952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.442952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.442952 (E_RNA) where: Base-Base interactions energy: -647.717 where: short stacking energy: -300.568 Base-Backbone interact. energy: -1.637 local terms energy: -378.088752 where: bonds (distance) C4'-P energy: -76.826 bonds (distance) P-C4' energy: -111.962 flat angles C4'-P-C4' energy: -84.379 flat angles P-C4'-P energy: -40.170 tors. eta vs tors. theta energy: -64.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -918.077906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.077906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.077906 (E_RNA) where: Base-Base interactions energy: -566.269 where: short stacking energy: -282.164 Base-Backbone interact. energy: 1.770 local terms energy: -353.578925 where: bonds (distance) C4'-P energy: -80.907 bonds (distance) P-C4' energy: -93.798 flat angles C4'-P-C4' energy: -89.508 flat angles P-C4'-P energy: -53.994 tors. eta vs tors. theta energy: -35.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -658.253361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.253361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.253361 (E_RNA) where: Base-Base interactions energy: -311.909 where: short stacking energy: -171.898 Base-Backbone interact. energy: -0.506 local terms energy: -345.838623 where: bonds (distance) C4'-P energy: -99.030 bonds (distance) P-C4' energy: -88.120 flat angles C4'-P-C4' energy: -81.700 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -19.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -566.784309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.784309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.784309 (E_RNA) where: Base-Base interactions energy: -252.983 where: short stacking energy: -154.869 Base-Backbone interact. energy: -0.076 local terms energy: -313.725005 where: bonds (distance) C4'-P energy: -85.022 bonds (distance) P-C4' energy: -98.881 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -59.606 tors. eta vs tors. theta energy: 6.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1839.903441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.903441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.903441 (E_RNA) where: Base-Base interactions energy: -1248.302 where: short stacking energy: -581.804 Base-Backbone interact. energy: -4.023 local terms energy: -587.578494 where: bonds (distance) C4'-P energy: -113.131 bonds (distance) P-C4' energy: -111.452 flat angles C4'-P-C4' energy: -118.911 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -172.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1714.138978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.138978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.138978 (E_RNA) where: Base-Base interactions energy: -1132.455 where: short stacking energy: -510.013 Base-Backbone interact. energy: -0.275 local terms energy: -581.408470 where: bonds (distance) C4'-P energy: -108.440 bonds (distance) P-C4' energy: -122.495 flat angles C4'-P-C4' energy: -118.703 flat angles P-C4'-P energy: -80.325 tors. eta vs tors. theta energy: -151.446 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: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1621.748099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.748099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.748099 (E_RNA) where: Base-Base interactions energy: -1067.894 where: short stacking energy: -448.298 Base-Backbone interact. energy: -1.218 local terms energy: -552.636436 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -121.882 flat angles C4'-P-C4' energy: -120.041 flat angles P-C4'-P energy: -85.869 tors. eta vs tors. theta energy: -120.551 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: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1433.288666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.288666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.288666 (E_RNA) where: Base-Base interactions energy: -936.645 where: short stacking energy: -414.231 Base-Backbone interact. energy: -4.853 local terms energy: -491.790917 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -102.965 flat angles C4'-P-C4' energy: -115.089 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -120.279 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: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1360.493502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.493502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.493502 (E_RNA) where: Base-Base interactions energy: -899.347 where: short stacking energy: -398.188 Base-Backbone interact. energy: -4.154 local terms energy: -456.992455 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -101.800 flat angles C4'-P-C4' energy: -103.060 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -101.690 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: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1249.897661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.897661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.897661 (E_RNA) where: Base-Base interactions energy: -793.047 where: short stacking energy: -365.787 Base-Backbone interact. energy: -1.282 local terms energy: -455.568832 where: bonds (distance) C4'-P energy: -97.453 bonds (distance) P-C4' energy: -98.027 flat angles C4'-P-C4' energy: -105.199 flat angles P-C4'-P energy: -75.000 tors. eta vs tors. theta energy: -79.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1078.643009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.643009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.643009 (E_RNA) where: Base-Base interactions energy: -697.760 where: short stacking energy: -336.764 Base-Backbone interact. energy: -2.723 local terms energy: -378.160755 where: bonds (distance) C4'-P energy: -90.659 bonds (distance) P-C4' energy: -96.536 flat angles C4'-P-C4' energy: -89.468 flat angles P-C4'-P energy: -45.787 tors. eta vs tors. theta energy: -55.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -936.075070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.075070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.075070 (E_RNA) where: Base-Base interactions energy: -564.662 where: short stacking energy: -259.831 Base-Backbone interact. energy: -0.661 local terms energy: -370.752806 where: bonds (distance) C4'-P energy: -82.985 bonds (distance) P-C4' energy: -88.472 flat angles C4'-P-C4' energy: -96.537 flat angles P-C4'-P energy: -53.930 tors. eta vs tors. theta energy: -48.828 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: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -632.688106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.688106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.688106 (E_RNA) where: Base-Base interactions energy: -330.436 where: short stacking energy: -192.837 Base-Backbone interact. energy: -2.806 local terms energy: -299.446017 where: bonds (distance) C4'-P energy: -93.985 bonds (distance) P-C4' energy: -82.740 flat angles C4'-P-C4' energy: -72.516 flat angles P-C4'-P energy: -48.768 tors. eta vs tors. theta energy: -1.437 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: 447 Temperature: 1.350000 Total energy: -535.945908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.945908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.945908 (E_RNA) where: Base-Base interactions energy: -245.960 where: short stacking energy: -144.683 Base-Backbone interact. energy: -1.394 local terms energy: -288.591942 where: bonds (distance) C4'-P energy: -92.366 bonds (distance) P-C4' energy: -80.261 flat angles C4'-P-C4' energy: -67.996 flat angles P-C4'-P energy: -56.686 tors. eta vs tors. theta energy: 8.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1796.035489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.035489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.035489 (E_RNA) where: Base-Base interactions energy: -1217.374 where: short stacking energy: -543.541 Base-Backbone interact. energy: -2.395 local terms energy: -576.266187 where: bonds (distance) C4'-P energy: -99.282 bonds (distance) P-C4' energy: -119.082 flat angles C4'-P-C4' energy: -127.729 flat angles P-C4'-P energy: -77.811 tors. eta vs tors. theta energy: -152.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1670.734410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.734410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.734410 (E_RNA) where: Base-Base interactions energy: -1113.136 where: short stacking energy: -507.598 Base-Backbone interact. energy: -3.302 local terms energy: -554.296294 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -101.043 flat angles C4'-P-C4' energy: -121.732 flat angles P-C4'-P energy: -76.532 tors. eta vs tors. theta energy: -142.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1596.570639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.570639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.570639 (E_RNA) where: Base-Base interactions energy: -1077.065 where: short stacking energy: -462.494 Base-Backbone interact. energy: 2.663 local terms energy: -522.169370 where: bonds (distance) C4'-P energy: -86.265 bonds (distance) P-C4' energy: -109.214 flat angles C4'-P-C4' energy: -121.320 flat angles P-C4'-P energy: -79.310 tors. eta vs tors. theta energy: -126.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1458.554806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.554806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.554806 (E_RNA) where: Base-Base interactions energy: -952.413 where: short stacking energy: -448.769 Base-Backbone interact. energy: -2.583 local terms energy: -503.558236 where: bonds (distance) C4'-P energy: -98.079 bonds (distance) P-C4' energy: -103.872 flat angles C4'-P-C4' energy: -102.624 flat angles P-C4'-P energy: -74.835 tors. eta vs tors. theta energy: -124.148 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: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1364.687147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.687147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.687147 (E_RNA) where: Base-Base interactions energy: -910.013 where: short stacking energy: -395.459 Base-Backbone interact. energy: 0.898 local terms energy: -455.572901 where: bonds (distance) C4'-P energy: -101.525 bonds (distance) P-C4' energy: -95.706 flat angles C4'-P-C4' energy: -110.342 flat angles P-C4'-P energy: -53.533 tors. eta vs tors. theta energy: -94.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1235.111727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.111727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.111727 (E_RNA) where: Base-Base interactions energy: -760.585 where: short stacking energy: -340.593 Base-Backbone interact. energy: -0.708 local terms energy: -473.818653 where: bonds (distance) C4'-P energy: -109.591 bonds (distance) P-C4' energy: -105.181 flat angles C4'-P-C4' energy: -105.663 flat angles P-C4'-P energy: -70.424 tors. eta vs tors. theta energy: -82.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1064.906889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.906889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.906889 (E_RNA) where: Base-Base interactions energy: -660.723 where: short stacking energy: -326.985 Base-Backbone interact. energy: -0.911 local terms energy: -403.273397 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -84.138 flat angles C4'-P-C4' energy: -101.285 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -62.745 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: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -875.380300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.380300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.380300 (E_RNA) where: Base-Base interactions energy: -502.297 where: short stacking energy: -266.898 Base-Backbone interact. energy: -1.476 local terms energy: -371.607602 where: bonds (distance) C4'-P energy: -85.723 bonds (distance) P-C4' energy: -99.640 flat angles C4'-P-C4' energy: -88.017 flat angles P-C4'-P energy: -57.642 tors. eta vs tors. theta energy: -40.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -675.009707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.009707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.009707 (E_RNA) where: Base-Base interactions energy: -338.237 where: short stacking energy: -210.055 Base-Backbone interact. energy: -0.242 local terms energy: -336.530923 where: bonds (distance) C4'-P energy: -88.983 bonds (distance) P-C4' energy: -88.864 flat angles C4'-P-C4' energy: -93.764 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -20.193 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: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -595.317384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.317384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.317384 (E_RNA) where: Base-Base interactions energy: -269.493 where: short stacking energy: -168.164 Base-Backbone interact. energy: 6.813 local terms energy: -332.637361 where: bonds (distance) C4'-P energy: -98.929 bonds (distance) P-C4' energy: -104.448 flat angles C4'-P-C4' energy: -76.337 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -4.632 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: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1774.059763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.059763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.059763 (E_RNA) where: Base-Base interactions energy: -1201.484 where: short stacking energy: -539.101 Base-Backbone interact. energy: -0.118 local terms energy: -572.457122 where: bonds (distance) C4'-P energy: -103.943 bonds (distance) P-C4' energy: -107.873 flat angles C4'-P-C4' energy: -119.140 flat angles P-C4'-P energy: -83.573 tors. eta vs tors. theta energy: -157.927 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: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1681.699791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.699791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.699791 (E_RNA) where: Base-Base interactions energy: -1116.646 where: short stacking energy: -498.811 Base-Backbone interact. energy: -1.385 local terms energy: -563.669185 where: bonds (distance) C4'-P energy: -104.017 bonds (distance) P-C4' energy: -122.485 flat angles C4'-P-C4' energy: -119.392 flat angles P-C4'-P energy: -80.173 tors. eta vs tors. theta energy: -137.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1604.330249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.330249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.330249 (E_RNA) where: Base-Base interactions energy: -1081.895 where: short stacking energy: -460.002 Base-Backbone interact. energy: -5.506 local terms energy: -516.929756 where: bonds (distance) C4'-P energy: -102.118 bonds (distance) P-C4' energy: -99.514 flat angles C4'-P-C4' energy: -108.188 flat angles P-C4'-P energy: -74.754 tors. eta vs tors. theta energy: -132.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1495.417663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.417663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.417663 (E_RNA) where: Base-Base interactions energy: -973.119 where: short stacking energy: -440.553 Base-Backbone interact. energy: -0.077 local terms energy: -522.221434 where: bonds (distance) C4'-P energy: -96.098 bonds (distance) P-C4' energy: -115.289 flat angles C4'-P-C4' energy: -107.493 flat angles P-C4'-P energy: -82.138 tors. eta vs tors. theta energy: -121.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1362.421075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.421075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.421075 (E_RNA) where: Base-Base interactions energy: -865.558 where: short stacking energy: -394.911 Base-Backbone interact. energy: -2.247 local terms energy: -494.616808 where: bonds (distance) C4'-P energy: -107.707 bonds (distance) P-C4' energy: -120.350 flat angles C4'-P-C4' energy: -100.577 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -114.052 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: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1165.013718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.013718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.013718 (E_RNA) where: Base-Base interactions energy: -717.471 where: short stacking energy: -334.085 Base-Backbone interact. energy: -2.441 local terms energy: -445.101858 where: bonds (distance) C4'-P energy: -96.070 bonds (distance) P-C4' energy: -102.088 flat angles C4'-P-C4' energy: -93.821 flat angles P-C4'-P energy: -80.263 tors. eta vs tors. theta energy: -72.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1043.951808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.951808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.951808 (E_RNA) where: Base-Base interactions energy: -653.814 where: short stacking energy: -322.533 Base-Backbone interact. energy: -0.284 local terms energy: -389.854030 where: bonds (distance) C4'-P energy: -96.900 bonds (distance) P-C4' energy: -87.312 flat angles C4'-P-C4' energy: -91.862 flat angles P-C4'-P energy: -52.466 tors. eta vs tors. theta energy: -61.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -824.831234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.831234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.831234 (E_RNA) where: Base-Base interactions energy: -484.371 where: short stacking energy: -233.224 Base-Backbone interact. energy: -2.553 local terms energy: -337.907439 where: bonds (distance) C4'-P energy: -81.514 bonds (distance) P-C4' energy: -95.040 flat angles C4'-P-C4' energy: -92.076 flat angles P-C4'-P energy: -38.088 tors. eta vs tors. theta energy: -31.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -639.477768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.477768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.477768 (E_RNA) where: Base-Base interactions energy: -293.659 where: short stacking energy: -168.691 Base-Backbone interact. energy: -1.937 local terms energy: -343.881364 where: bonds (distance) C4'-P energy: -90.339 bonds (distance) P-C4' energy: -108.457 flat angles C4'-P-C4' energy: -86.191 flat angles P-C4'-P energy: -49.504 tors. eta vs tors. theta energy: -9.389 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: 449 Temperature: 1.350000 Total energy: -614.292511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.292511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.292511 (E_RNA) where: Base-Base interactions energy: -271.599 where: short stacking energy: -152.972 Base-Backbone interact. energy: -1.290 local terms energy: -341.404043 where: bonds (distance) C4'-P energy: -97.778 bonds (distance) P-C4' energy: -106.736 flat angles C4'-P-C4' energy: -79.091 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1769.738074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.738074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.738074 (E_RNA) where: Base-Base interactions energy: -1197.296 where: short stacking energy: -524.579 Base-Backbone interact. energy: -1.587 local terms energy: -570.854739 where: bonds (distance) C4'-P energy: -100.887 bonds (distance) P-C4' energy: -121.892 flat angles C4'-P-C4' energy: -110.121 flat angles P-C4'-P energy: -73.753 tors. eta vs tors. theta energy: -164.203 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: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1702.758998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.758998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.758998 (E_RNA) where: Base-Base interactions energy: -1135.530 where: short stacking energy: -535.169 Base-Backbone interact. energy: -1.738 local terms energy: -565.491176 where: bonds (distance) C4'-P energy: -109.357 bonds (distance) P-C4' energy: -113.094 flat angles C4'-P-C4' energy: -119.008 flat angles P-C4'-P energy: -74.455 tors. eta vs tors. theta energy: -149.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1628.487217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.487217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.487217 (E_RNA) where: Base-Base interactions energy: -1085.262 where: short stacking energy: -489.464 Base-Backbone interact. energy: -2.650 local terms energy: -540.575523 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -111.624 flat angles C4'-P-C4' energy: -112.159 flat angles P-C4'-P energy: -87.301 tors. eta vs tors. theta energy: -141.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1496.439099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.439099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.439099 (E_RNA) where: Base-Base interactions energy: -982.837 where: short stacking energy: -439.299 Base-Backbone interact. energy: -2.850 local terms energy: -510.751971 where: bonds (distance) C4'-P energy: -103.738 bonds (distance) P-C4' energy: -99.048 flat angles C4'-P-C4' energy: -110.782 flat angles P-C4'-P energy: -74.001 tors. eta vs tors. theta energy: -123.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1398.312113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.312113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.312113 (E_RNA) where: Base-Base interactions energy: -920.855 where: short stacking energy: -414.342 Base-Backbone interact. energy: -0.346 local terms energy: -477.110935 where: bonds (distance) C4'-P energy: -95.809 bonds (distance) P-C4' energy: -91.996 flat angles C4'-P-C4' energy: -120.507 flat angles P-C4'-P energy: -62.792 tors. eta vs tors. theta energy: -106.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1216.332762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.332762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.332762 (E_RNA) where: Base-Base interactions energy: -791.491 where: short stacking energy: -356.966 Base-Backbone interact. energy: -1.801 local terms energy: -423.040851 where: bonds (distance) C4'-P energy: -87.795 bonds (distance) P-C4' energy: -92.106 flat angles C4'-P-C4' energy: -106.897 flat angles P-C4'-P energy: -59.962 tors. eta vs tors. theta energy: -76.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1103.178539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.178539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.178539 (E_RNA) where: Base-Base interactions energy: -706.054 where: short stacking energy: -334.884 Base-Backbone interact. energy: 1.793 local terms energy: -398.916842 where: bonds (distance) C4'-P energy: -77.229 bonds (distance) P-C4' energy: -93.115 flat angles C4'-P-C4' energy: -98.993 flat angles P-C4'-P energy: -56.071 tors. eta vs tors. theta energy: -73.509 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: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -810.646036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.646036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.646036 (E_RNA) where: Base-Base interactions energy: -457.267 where: short stacking energy: -232.545 Base-Backbone interact. energy: -1.686 local terms energy: -351.692399 where: bonds (distance) C4'-P energy: -83.503 bonds (distance) P-C4' energy: -99.440 flat angles C4'-P-C4' energy: -96.981 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -22.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -685.486402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.486402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.486402 (E_RNA) where: Base-Base interactions energy: -344.214 where: short stacking energy: -218.881 Base-Backbone interact. energy: -1.822 local terms energy: -339.450714 where: bonds (distance) C4'-P energy: -84.194 bonds (distance) P-C4' energy: -92.420 flat angles C4'-P-C4' energy: -84.541 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -25.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -560.626427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.626427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.626427 (E_RNA) where: Base-Base interactions energy: -254.578 where: short stacking energy: -143.020 Base-Backbone interact. energy: -0.826 local terms energy: -305.222300 where: bonds (distance) C4'-P energy: -79.093 bonds (distance) P-C4' energy: -92.229 flat angles C4'-P-C4' energy: -74.858 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1778.713184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.713184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.713184 (E_RNA) where: Base-Base interactions energy: -1208.823 where: short stacking energy: -545.440 Base-Backbone interact. energy: -3.668 local terms energy: -566.221863 where: bonds (distance) C4'-P energy: -94.508 bonds (distance) P-C4' energy: -124.580 flat angles C4'-P-C4' energy: -118.008 flat angles P-C4'-P energy: -77.161 tors. eta vs tors. theta energy: -151.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1695.197640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.197640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.197640 (E_RNA) where: Base-Base interactions energy: -1138.933 where: short stacking energy: -507.497 Base-Backbone interact. energy: -2.687 local terms energy: -553.577984 where: bonds (distance) C4'-P energy: -102.938 bonds (distance) P-C4' energy: -113.494 flat angles C4'-P-C4' energy: -117.774 flat angles P-C4'-P energy: -83.536 tors. eta vs tors. theta energy: -135.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1646.029646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.029646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.029646 (E_RNA) where: Base-Base interactions energy: -1093.773 where: short stacking energy: -479.811 Base-Backbone interact. energy: -4.029 local terms energy: -548.227197 where: bonds (distance) C4'-P energy: -106.028 bonds (distance) P-C4' energy: -111.651 flat angles C4'-P-C4' energy: -119.131 flat angles P-C4'-P energy: -78.762 tors. eta vs tors. theta energy: -132.656 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: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1475.638177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.638177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.638177 (E_RNA) where: Base-Base interactions energy: -980.091 where: short stacking energy: -442.407 Base-Backbone interact. energy: 2.096 local terms energy: -497.643068 where: bonds (distance) C4'-P energy: -105.311 bonds (distance) P-C4' energy: -108.042 flat angles C4'-P-C4' energy: -105.969 flat angles P-C4'-P energy: -66.276 tors. eta vs tors. theta energy: -112.045 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: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1375.218179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.218179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.218179 (E_RNA) where: Base-Base interactions energy: -908.884 where: short stacking energy: -436.902 Base-Backbone interact. energy: -2.221 local terms energy: -464.112742 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -96.621 flat angles C4'-P-C4' energy: -104.512 flat angles P-C4'-P energy: -72.649 tors. eta vs tors. theta energy: -115.906 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: 9 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1128.021246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.021246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.021246 (E_RNA) where: Base-Base interactions energy: -709.385 where: short stacking energy: -318.428 Base-Backbone interact. energy: 1.227 local terms energy: -419.863007 where: bonds (distance) C4'-P energy: -86.114 bonds (distance) P-C4' energy: -101.450 flat angles C4'-P-C4' energy: -99.236 flat angles P-C4'-P energy: -62.465 tors. eta vs tors. theta energy: -70.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1133.826544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.826544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.826544 (E_RNA) where: Base-Base interactions energy: -731.577 where: short stacking energy: -330.967 Base-Backbone interact. energy: 3.155 local terms energy: -405.404953 where: bonds (distance) C4'-P energy: -98.314 bonds (distance) P-C4' energy: -91.586 flat angles C4'-P-C4' energy: -92.655 flat angles P-C4'-P energy: -51.667 tors. eta vs tors. theta energy: -71.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -855.720459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.720459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.720459 (E_RNA) where: Base-Base interactions energy: -514.257 where: short stacking energy: -266.242 Base-Backbone interact. energy: -1.218 local terms energy: -340.245240 where: bonds (distance) C4'-P energy: -84.989 bonds (distance) P-C4' energy: -82.452 flat angles C4'-P-C4' energy: -83.829 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -36.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -664.166486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.166486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.166486 (E_RNA) where: Base-Base interactions energy: -331.647 where: short stacking energy: -158.727 Base-Backbone interact. energy: -2.362 local terms energy: -330.157370 where: bonds (distance) C4'-P energy: -95.078 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -81.530 flat angles P-C4'-P energy: -61.575 tors. eta vs tors. theta energy: -1.521 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: 451 Temperature: 1.350000 Total energy: -581.671027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.671027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.671027 (E_RNA) where: Base-Base interactions energy: -283.294 where: short stacking energy: -184.377 Base-Backbone interact. energy: 7.327 local terms energy: -305.704684 where: bonds (distance) C4'-P energy: -82.536 bonds (distance) P-C4' energy: -92.277 flat angles C4'-P-C4' energy: -89.714 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -2.747 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: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1773.201317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.201317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.201317 (E_RNA) where: Base-Base interactions energy: -1175.705 where: short stacking energy: -557.622 Base-Backbone interact. energy: -2.906 local terms energy: -594.590941 where: bonds (distance) C4'-P energy: -114.275 bonds (distance) P-C4' energy: -116.672 flat angles C4'-P-C4' energy: -127.062 flat angles P-C4'-P energy: -86.291 tors. eta vs tors. theta energy: -150.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1714.519284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.519284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.519284 (E_RNA) where: Base-Base interactions energy: -1150.577 where: short stacking energy: -518.865 Base-Backbone interact. energy: -1.016 local terms energy: -562.925973 where: bonds (distance) C4'-P energy: -107.689 bonds (distance) P-C4' energy: -111.979 flat angles C4'-P-C4' energy: -124.643 flat angles P-C4'-P energy: -76.445 tors. eta vs tors. theta energy: -142.171 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: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1603.519343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.519343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.519343 (E_RNA) where: Base-Base interactions energy: -1084.553 where: short stacking energy: -455.113 Base-Backbone interact. energy: -1.934 local terms energy: -517.033006 where: bonds (distance) C4'-P energy: -112.453 bonds (distance) P-C4' energy: -91.770 flat angles C4'-P-C4' energy: -116.785 flat angles P-C4'-P energy: -65.278 tors. eta vs tors. theta energy: -130.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1490.146666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.146666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.146666 (E_RNA) where: Base-Base interactions energy: -989.616 where: short stacking energy: -445.224 Base-Backbone interact. energy: -3.497 local terms energy: -497.033545 where: bonds (distance) C4'-P energy: -109.289 bonds (distance) P-C4' energy: -97.998 flat angles C4'-P-C4' energy: -91.650 flat angles P-C4'-P energy: -81.551 tors. eta vs tors. theta energy: -116.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1411.206023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.206023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.206023 (E_RNA) where: Base-Base interactions energy: -915.484 where: short stacking energy: -444.950 Base-Backbone interact. energy: -0.757 local terms energy: -494.965156 where: bonds (distance) C4'-P energy: -96.409 bonds (distance) P-C4' energy: -114.908 flat angles C4'-P-C4' energy: -100.265 flat angles P-C4'-P energy: -63.149 tors. eta vs tors. theta energy: -120.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1146.631522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.631522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.631522 (E_RNA) where: Base-Base interactions energy: -740.606 where: short stacking energy: -333.129 Base-Backbone interact. energy: -1.694 local terms energy: -404.331603 where: bonds (distance) C4'-P energy: -99.646 bonds (distance) P-C4' energy: -89.624 flat angles C4'-P-C4' energy: -88.011 flat angles P-C4'-P energy: -56.332 tors. eta vs tors. theta energy: -70.719 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: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1147.360610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.360610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.360610 (E_RNA) where: Base-Base interactions energy: -722.543 where: short stacking energy: -332.223 Base-Backbone interact. energy: 2.245 local terms energy: -427.062889 where: bonds (distance) C4'-P energy: -92.131 bonds (distance) P-C4' energy: -98.402 flat angles C4'-P-C4' energy: -102.863 flat angles P-C4'-P energy: -64.992 tors. eta vs tors. theta energy: -68.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -804.604495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.604495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.604495 (E_RNA) where: Base-Base interactions energy: -439.446 where: short stacking energy: -210.607 Base-Backbone interact. energy: 2.324 local terms energy: -367.482619 where: bonds (distance) C4'-P energy: -87.449 bonds (distance) P-C4' energy: -100.370 flat angles C4'-P-C4' energy: -92.858 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -24.785 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: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -600.532652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.532652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.532652 (E_RNA) where: Base-Base interactions energy: -268.522 where: short stacking energy: -160.615 Base-Backbone interact. energy: 2.446 local terms energy: -334.456880 where: bonds (distance) C4'-P energy: -85.984 bonds (distance) P-C4' energy: -105.928 flat angles C4'-P-C4' energy: -83.569 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: 8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -604.060293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.060293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.060293 (E_RNA) where: Base-Base interactions energy: -260.632 where: short stacking energy: -176.727 Base-Backbone interact. energy: -1.111 local terms energy: -342.317984 where: bonds (distance) C4'-P energy: -100.347 bonds (distance) P-C4' energy: -108.470 flat angles C4'-P-C4' energy: -84.275 flat angles P-C4'-P energy: -47.805 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1801.266456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.266456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.266456 (E_RNA) where: Base-Base interactions energy: -1203.718 where: short stacking energy: -537.677 Base-Backbone interact. energy: -0.830 local terms energy: -596.718977 where: bonds (distance) C4'-P energy: -122.602 bonds (distance) P-C4' energy: -109.999 flat angles C4'-P-C4' energy: -122.993 flat angles P-C4'-P energy: -85.598 tors. eta vs tors. theta energy: -155.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1740.513465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.513465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.513465 (E_RNA) where: Base-Base interactions energy: -1171.530 where: short stacking energy: -550.428 Base-Backbone interact. energy: -2.072 local terms energy: -566.911794 where: bonds (distance) C4'-P energy: -95.135 bonds (distance) P-C4' energy: -105.996 flat angles C4'-P-C4' energy: -129.530 flat angles P-C4'-P energy: -82.754 tors. eta vs tors. theta energy: -153.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1584.053874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.053874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.053874 (E_RNA) where: Base-Base interactions energy: -1072.724 where: short stacking energy: -473.151 Base-Backbone interact. energy: -5.409 local terms energy: -505.920715 where: bonds (distance) C4'-P energy: -106.204 bonds (distance) P-C4' energy: -97.219 flat angles C4'-P-C4' energy: -115.081 flat angles P-C4'-P energy: -62.068 tors. eta vs tors. theta energy: -125.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1488.514788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.514788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.514788 (E_RNA) where: Base-Base interactions energy: -1013.282 where: short stacking energy: -478.175 Base-Backbone interact. energy: 1.732 local terms energy: -476.965676 where: bonds (distance) C4'-P energy: -85.426 bonds (distance) P-C4' energy: -92.937 flat angles C4'-P-C4' energy: -108.582 flat angles P-C4'-P energy: -74.457 tors. eta vs tors. theta energy: -115.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1373.043755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.043755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.043755 (E_RNA) where: Base-Base interactions energy: -868.363 where: short stacking energy: -403.769 Base-Backbone interact. energy: -1.520 local terms energy: -503.161375 where: bonds (distance) C4'-P energy: -97.279 bonds (distance) P-C4' energy: -109.504 flat angles C4'-P-C4' energy: -110.965 flat angles P-C4'-P energy: -75.337 tors. eta vs tors. theta energy: -110.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1195.340158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.340158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.340158 (E_RNA) where: Base-Base interactions energy: -766.536 where: short stacking energy: -353.510 Base-Backbone interact. energy: -0.976 local terms energy: -427.827972 where: bonds (distance) C4'-P energy: -92.041 bonds (distance) P-C4' energy: -102.566 flat angles C4'-P-C4' energy: -93.723 flat angles P-C4'-P energy: -65.764 tors. eta vs tors. theta energy: -73.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1060.077636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.077636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.077636 (E_RNA) where: Base-Base interactions energy: -675.619 where: short stacking energy: -307.003 Base-Backbone interact. energy: 2.373 local terms energy: -386.831665 where: bonds (distance) C4'-P energy: -91.136 bonds (distance) P-C4' energy: -99.951 flat angles C4'-P-C4' energy: -88.145 flat angles P-C4'-P energy: -63.546 tors. eta vs tors. theta energy: -44.054 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: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -802.621854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.621854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.621854 (E_RNA) where: Base-Base interactions energy: -442.205 where: short stacking energy: -217.694 Base-Backbone interact. energy: -2.763 local terms energy: -357.654376 where: bonds (distance) C4'-P energy: -76.043 bonds (distance) P-C4' energy: -90.620 flat angles C4'-P-C4' energy: -99.055 flat angles P-C4'-P energy: -61.988 tors. eta vs tors. theta energy: -29.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -585.746656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.746656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.746656 (E_RNA) where: Base-Base interactions energy: -282.541 where: short stacking energy: -189.592 Base-Backbone interact. energy: 1.665 local terms energy: -304.870933 where: bonds (distance) C4'-P energy: -88.284 bonds (distance) P-C4' energy: -76.685 flat angles C4'-P-C4' energy: -79.968 flat angles P-C4'-P energy: -53.349 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -583.931523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.931523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.931523 (E_RNA) where: Base-Base interactions energy: -286.859 where: short stacking energy: -171.102 Base-Backbone interact. energy: -0.759 local terms energy: -296.313535 where: bonds (distance) C4'-P energy: -87.589 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -58.562 flat angles P-C4'-P energy: -61.904 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1778.372973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.372973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.372973 (E_RNA) where: Base-Base interactions energy: -1192.904 where: short stacking energy: -546.287 Base-Backbone interact. energy: -0.286 local terms energy: -585.183862 where: bonds (distance) C4'-P energy: -101.888 bonds (distance) P-C4' energy: -112.002 flat angles C4'-P-C4' energy: -130.249 flat angles P-C4'-P energy: -83.392 tors. eta vs tors. theta energy: -157.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1739.284023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.284023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.284023 (E_RNA) where: Base-Base interactions energy: -1167.984 where: short stacking energy: -538.314 Base-Backbone interact. energy: 0.096 local terms energy: -571.395986 where: bonds (distance) C4'-P energy: -115.779 bonds (distance) P-C4' energy: -105.222 flat angles C4'-P-C4' energy: -113.170 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -148.624 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: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1619.204299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.204299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.204299 (E_RNA) where: Base-Base interactions energy: -1097.936 where: short stacking energy: -476.884 Base-Backbone interact. energy: -0.243 local terms energy: -521.026145 where: bonds (distance) C4'-P energy: -98.656 bonds (distance) P-C4' energy: -111.378 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: -116.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1506.047802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.047802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.047802 (E_RNA) where: Base-Base interactions energy: -1009.058 where: short stacking energy: -434.704 Base-Backbone interact. energy: -1.564 local terms energy: -495.425627 where: bonds (distance) C4'-P energy: -100.379 bonds (distance) P-C4' energy: -105.638 flat angles C4'-P-C4' energy: -123.985 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -107.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1415.235455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.235455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.235455 (E_RNA) where: Base-Base interactions energy: -928.665 where: short stacking energy: -417.501 Base-Backbone interact. energy: -0.095 local terms energy: -486.476211 where: bonds (distance) C4'-P energy: -105.781 bonds (distance) P-C4' energy: -92.115 flat angles C4'-P-C4' energy: -112.174 flat angles P-C4'-P energy: -65.207 tors. eta vs tors. theta energy: -111.200 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: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1246.505449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.505449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.505449 (E_RNA) where: Base-Base interactions energy: -781.892 where: short stacking energy: -375.883 Base-Backbone interact. energy: -2.083 local terms energy: -462.530500 where: bonds (distance) C4'-P energy: -83.619 bonds (distance) P-C4' energy: -107.093 flat angles C4'-P-C4' energy: -111.781 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: -92.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1114.986670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.986670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.986670 (E_RNA) where: Base-Base interactions energy: -699.658 where: short stacking energy: -316.540 Base-Backbone interact. energy: 3.559 local terms energy: -418.887139 where: bonds (distance) C4'-P energy: -99.127 bonds (distance) P-C4' energy: -85.083 flat angles C4'-P-C4' energy: -95.576 flat angles P-C4'-P energy: -75.109 tors. eta vs tors. theta energy: -63.992 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: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -780.045605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.045605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.045605 (E_RNA) where: Base-Base interactions energy: -457.116 where: short stacking energy: -248.449 Base-Backbone interact. energy: -1.790 local terms energy: -321.139098 where: bonds (distance) C4'-P energy: -93.768 bonds (distance) P-C4' energy: -72.132 flat angles C4'-P-C4' energy: -74.860 flat angles P-C4'-P energy: -55.633 tors. eta vs tors. theta energy: -24.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -604.508610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.508610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.508610 (E_RNA) where: Base-Base interactions energy: -309.862 where: short stacking energy: -182.504 Base-Backbone interact. energy: 3.387 local terms energy: -298.033575 where: bonds (distance) C4'-P energy: -85.707 bonds (distance) P-C4' energy: -94.944 flat angles C4'-P-C4' energy: -75.060 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: -2.567 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: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -556.542272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.542272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.542272 (E_RNA) where: Base-Base interactions energy: -252.400 where: short stacking energy: -155.526 Base-Backbone interact. energy: 2.789 local terms energy: -306.930929 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -94.212 flat angles C4'-P-C4' energy: -87.286 flat angles P-C4'-P energy: -51.026 tors. eta vs tors. theta energy: 0.979 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: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1772.340913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.340913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.340913 (E_RNA) where: Base-Base interactions energy: -1180.571 where: short stacking energy: -534.844 Base-Backbone interact. energy: -2.667 local terms energy: -589.103360 where: bonds (distance) C4'-P energy: -111.431 bonds (distance) P-C4' energy: -115.546 flat angles C4'-P-C4' energy: -122.498 flat angles P-C4'-P energy: -82.444 tors. eta vs tors. theta energy: -157.184 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: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1714.926109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.926109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.926109 (E_RNA) where: Base-Base interactions energy: -1142.350 where: short stacking energy: -505.314 Base-Backbone interact. energy: -4.041 local terms energy: -568.534402 where: bonds (distance) C4'-P energy: -102.852 bonds (distance) P-C4' energy: -117.872 flat angles C4'-P-C4' energy: -121.146 flat angles P-C4'-P energy: -87.506 tors. eta vs tors. theta energy: -139.159 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: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1625.578142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.578142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.578142 (E_RNA) where: Base-Base interactions energy: -1107.336 where: short stacking energy: -492.545 Base-Backbone interact. energy: -0.906 local terms energy: -517.336048 where: bonds (distance) C4'-P energy: -102.243 bonds (distance) P-C4' energy: -104.529 flat angles C4'-P-C4' energy: -109.866 flat angles P-C4'-P energy: -74.765 tors. eta vs tors. theta energy: -125.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1511.277634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.277634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.277634 (E_RNA) where: Base-Base interactions energy: -987.001 where: short stacking energy: -455.107 Base-Backbone interact. energy: 0.659 local terms energy: -524.935747 where: bonds (distance) C4'-P energy: -104.570 bonds (distance) P-C4' energy: -117.924 flat angles C4'-P-C4' energy: -110.326 flat angles P-C4'-P energy: -74.612 tors. eta vs tors. theta energy: -117.503 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: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1370.569268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.569268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.569268 (E_RNA) where: Base-Base interactions energy: -898.064 where: short stacking energy: -387.674 Base-Backbone interact. energy: 0.257 local terms energy: -472.763182 where: bonds (distance) C4'-P energy: -102.106 bonds (distance) P-C4' energy: -102.022 flat angles C4'-P-C4' energy: -102.668 flat angles P-C4'-P energy: -62.649 tors. eta vs tors. theta energy: -103.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1274.575746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.575746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.575746 (E_RNA) where: Base-Base interactions energy: -838.195 where: short stacking energy: -371.037 Base-Backbone interact. energy: 1.018 local terms energy: -437.399102 where: bonds (distance) C4'-P energy: -87.821 bonds (distance) P-C4' energy: -97.253 flat angles C4'-P-C4' energy: -108.551 flat angles P-C4'-P energy: -58.363 tors. eta vs tors. theta energy: -85.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1042.317630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.317630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.317630 (E_RNA) where: Base-Base interactions energy: -658.769 where: short stacking energy: -313.876 Base-Backbone interact. energy: -2.364 local terms energy: -381.184832 where: bonds (distance) C4'-P energy: -91.041 bonds (distance) P-C4' energy: -83.815 flat angles C4'-P-C4' energy: -80.506 flat angles P-C4'-P energy: -59.455 tors. eta vs tors. theta energy: -66.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -790.424496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.424496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.424496 (E_RNA) where: Base-Base interactions energy: -443.494 where: short stacking energy: -241.066 Base-Backbone interact. energy: -0.711 local terms energy: -346.219160 where: bonds (distance) C4'-P energy: -86.317 bonds (distance) P-C4' energy: -108.472 flat angles C4'-P-C4' energy: -73.809 flat angles P-C4'-P energy: -44.300 tors. eta vs tors. theta energy: -33.322 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: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -585.114294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.114294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.114294 (E_RNA) where: Base-Base interactions energy: -279.126 where: short stacking energy: -158.300 Base-Backbone interact. energy: 0.798 local terms energy: -306.785668 where: bonds (distance) C4'-P energy: -77.492 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -50.429 tors. eta vs tors. theta energy: 9.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -555.779814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.779814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.779814 (E_RNA) where: Base-Base interactions energy: -253.129 where: short stacking energy: -181.692 Base-Backbone interact. energy: 2.198 local terms energy: -304.848634 where: bonds (distance) C4'-P energy: -92.104 bonds (distance) P-C4' energy: -101.611 flat angles C4'-P-C4' energy: -62.788 flat angles P-C4'-P energy: -39.746 tors. eta vs tors. theta energy: -8.600 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: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1790.369551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.369551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.369551 (E_RNA) where: Base-Base interactions energy: -1204.345 where: short stacking energy: -547.963 Base-Backbone interact. energy: 3.028 local terms energy: -589.051932 where: bonds (distance) C4'-P energy: -118.725 bonds (distance) P-C4' energy: -110.150 flat angles C4'-P-C4' energy: -124.157 flat angles P-C4'-P energy: -89.285 tors. eta vs tors. theta energy: -146.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1725.464350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.464350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.464350 (E_RNA) where: Base-Base interactions energy: -1167.775 where: short stacking energy: -517.119 Base-Backbone interact. energy: -3.910 local terms energy: -553.779035 where: bonds (distance) C4'-P energy: -104.013 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -119.267 flat angles P-C4'-P energy: -76.352 tors. eta vs tors. theta energy: -143.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1592.699718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.699718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.699718 (E_RNA) where: Base-Base interactions energy: -1050.747 where: short stacking energy: -471.300 Base-Backbone interact. energy: -2.297 local terms energy: -539.655715 where: bonds (distance) C4'-P energy: -109.679 bonds (distance) P-C4' energy: -101.996 flat angles C4'-P-C4' energy: -120.973 flat angles P-C4'-P energy: -74.512 tors. eta vs tors. theta energy: -132.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1497.515053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.515053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.515053 (E_RNA) where: Base-Base interactions energy: -994.807 where: short stacking energy: -454.297 Base-Backbone interact. energy: -4.365 local terms energy: -498.343304 where: bonds (distance) C4'-P energy: -93.862 bonds (distance) P-C4' energy: -114.572 flat angles C4'-P-C4' energy: -117.936 flat angles P-C4'-P energy: -56.963 tors. eta vs tors. theta energy: -115.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1363.303488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.303488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.303488 (E_RNA) where: Base-Base interactions energy: -853.352 where: short stacking energy: -397.078 Base-Backbone interact. energy: -0.925 local terms energy: -509.026824 where: bonds (distance) C4'-P energy: -101.476 bonds (distance) P-C4' energy: -109.415 flat angles C4'-P-C4' energy: -116.408 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -107.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1186.222598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.222598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.222598 (E_RNA) where: Base-Base interactions energy: -763.673 where: short stacking energy: -359.075 Base-Backbone interact. energy: 4.104 local terms energy: -426.653288 where: bonds (distance) C4'-P energy: -84.350 bonds (distance) P-C4' energy: -101.149 flat angles C4'-P-C4' energy: -98.980 flat angles P-C4'-P energy: -65.107 tors. eta vs tors. theta energy: -77.067 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: 456 Temperature: 1.200000 Total energy: -1029.340911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.340911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.340911 (E_RNA) where: Base-Base interactions energy: -638.103 where: short stacking energy: -321.879 Base-Backbone interact. energy: 1.802 local terms energy: -393.039477 where: bonds (distance) C4'-P energy: -88.242 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -88.208 flat angles P-C4'-P energy: -55.925 tors. eta vs tors. theta energy: -60.041 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: 8, replica: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -794.588225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.588225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.588225 (E_RNA) where: Base-Base interactions energy: -472.991 where: short stacking energy: -218.278 Base-Backbone interact. energy: -2.639 local terms energy: -318.958637 where: bonds (distance) C4'-P energy: -89.633 bonds (distance) P-C4' energy: -78.557 flat angles C4'-P-C4' energy: -92.333 flat angles P-C4'-P energy: -50.930 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -597.559998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.559998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.559998 (E_RNA) where: Base-Base interactions energy: -281.721 where: short stacking energy: -157.209 Base-Backbone interact. energy: -0.311 local terms energy: -315.527559 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -95.668 flat angles C4'-P-C4' energy: -76.439 flat angles P-C4'-P energy: -60.368 tors. eta vs tors. theta energy: 3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -559.327801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.327801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.327801 (E_RNA) where: Base-Base interactions energy: -257.076 where: short stacking energy: -143.578 Base-Backbone interact. energy: -0.952 local terms energy: -301.299669 where: bonds (distance) C4'-P energy: -86.216 bonds (distance) P-C4' energy: -107.813 flat angles C4'-P-C4' energy: -78.686 flat angles P-C4'-P energy: -39.040 tors. eta vs tors. theta energy: 10.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1804.971242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.971242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.971242 (E_RNA) where: Base-Base interactions energy: -1236.909 where: short stacking energy: -549.807 Base-Backbone interact. energy: 0.008 local terms energy: -568.070377 where: bonds (distance) C4'-P energy: -111.573 bonds (distance) P-C4' energy: -114.788 flat angles C4'-P-C4' energy: -121.536 flat angles P-C4'-P energy: -65.438 tors. eta vs tors. theta energy: -154.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1670.507496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.507496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.507496 (E_RNA) where: Base-Base interactions energy: -1112.331 where: short stacking energy: -508.553 Base-Backbone interact. energy: -4.462 local terms energy: -553.714885 where: bonds (distance) C4'-P energy: -109.827 bonds (distance) P-C4' energy: -98.562 flat angles C4'-P-C4' energy: -121.500 flat angles P-C4'-P energy: -78.392 tors. eta vs tors. theta energy: -145.434 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: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1672.812791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.812791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.812791 (E_RNA) where: Base-Base interactions energy: -1116.810 where: short stacking energy: -511.255 Base-Backbone interact. energy: -3.550 local terms energy: -552.452131 where: bonds (distance) C4'-P energy: -100.507 bonds (distance) P-C4' energy: -99.287 flat angles C4'-P-C4' energy: -127.652 flat angles P-C4'-P energy: -73.012 tors. eta vs tors. theta energy: -151.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1478.032323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.032323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.032323 (E_RNA) where: Base-Base interactions energy: -978.840 where: short stacking energy: -437.418 Base-Backbone interact. energy: -1.682 local terms energy: -497.509587 where: bonds (distance) C4'-P energy: -111.445 bonds (distance) P-C4' energy: -102.062 flat angles C4'-P-C4' energy: -105.435 flat angles P-C4'-P energy: -69.183 tors. eta vs tors. theta energy: -109.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1392.810493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.810493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.810493 (E_RNA) where: Base-Base interactions energy: -928.739 where: short stacking energy: -417.038 Base-Backbone interact. energy: -2.460 local terms energy: -461.611253 where: bonds (distance) C4'-P energy: -100.782 bonds (distance) P-C4' energy: -101.041 flat angles C4'-P-C4' energy: -90.848 flat angles P-C4'-P energy: -61.382 tors. eta vs tors. theta energy: -107.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1196.551865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.551865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.551865 (E_RNA) where: Base-Base interactions energy: -766.664 where: short stacking energy: -360.936 Base-Backbone interact. energy: -1.303 local terms energy: -428.584924 where: bonds (distance) C4'-P energy: -97.134 bonds (distance) P-C4' energy: -106.402 flat angles C4'-P-C4' energy: -96.837 flat angles P-C4'-P energy: -63.231 tors. eta vs tors. theta energy: -64.981 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: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1071.628928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.628928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.628928 (E_RNA) where: Base-Base interactions energy: -685.983 where: short stacking energy: -313.688 Base-Backbone interact. energy: -3.534 local terms energy: -382.111333 where: bonds (distance) C4'-P energy: -65.806 bonds (distance) P-C4' energy: -102.325 flat angles C4'-P-C4' energy: -103.408 flat angles P-C4'-P energy: -55.956 tors. eta vs tors. theta energy: -54.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -843.322237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.322237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.322237 (E_RNA) where: Base-Base interactions energy: -474.437 where: short stacking energy: -251.919 Base-Backbone interact. energy: 0.069 local terms energy: -368.953905 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -94.779 flat angles C4'-P-C4' energy: -75.828 flat angles P-C4'-P energy: -59.814 tors. eta vs tors. theta energy: -44.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -622.632947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.632947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.632947 (E_RNA) where: Base-Base interactions energy: -290.771 where: short stacking energy: -182.099 Base-Backbone interact. energy: -2.944 local terms energy: -328.917230 where: bonds (distance) C4'-P energy: -80.809 bonds (distance) P-C4' energy: -94.494 flat angles C4'-P-C4' energy: -93.624 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -552.151842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.151842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.151842 (E_RNA) where: Base-Base interactions energy: -224.358 where: short stacking energy: -152.325 Base-Backbone interact. energy: 3.167 local terms energy: -330.961031 where: bonds (distance) C4'-P energy: -109.610 bonds (distance) P-C4' energy: -84.901 flat angles C4'-P-C4' energy: -77.178 flat angles P-C4'-P energy: -63.132 tors. eta vs tors. theta energy: 3.861 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: 1, replica: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1799.236339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.236339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.236339 (E_RNA) where: Base-Base interactions energy: -1226.768 where: short stacking energy: -562.201 Base-Backbone interact. energy: -0.134 local terms energy: -572.334485 where: bonds (distance) C4'-P energy: -94.426 bonds (distance) P-C4' energy: -116.501 flat angles C4'-P-C4' energy: -124.131 flat angles P-C4'-P energy: -86.500 tors. eta vs tors. theta energy: -150.776 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: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1667.914858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.914858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.914858 (E_RNA) where: Base-Base interactions energy: -1110.251 where: short stacking energy: -496.392 Base-Backbone interact. energy: -3.816 local terms energy: -553.848360 where: bonds (distance) C4'-P energy: -108.467 bonds (distance) P-C4' energy: -110.382 flat angles C4'-P-C4' energy: -117.134 flat angles P-C4'-P energy: -74.308 tors. eta vs tors. theta energy: -143.558 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: 6 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1666.572268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.572268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.572268 (E_RNA) where: Base-Base interactions energy: -1126.944 where: short stacking energy: -512.859 Base-Backbone interact. energy: -2.914 local terms energy: -536.713996 where: bonds (distance) C4'-P energy: -92.115 bonds (distance) P-C4' energy: -102.689 flat angles C4'-P-C4' energy: -120.155 flat angles P-C4'-P energy: -77.051 tors. eta vs tors. theta energy: -144.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1471.022015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.022015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.022015 (E_RNA) where: Base-Base interactions energy: -993.762 where: short stacking energy: -441.813 Base-Backbone interact. energy: -2.636 local terms energy: -474.624112 where: bonds (distance) C4'-P energy: -99.293 bonds (distance) P-C4' energy: -80.271 flat angles C4'-P-C4' energy: -102.820 flat angles P-C4'-P energy: -74.112 tors. eta vs tors. theta energy: -118.127 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: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1372.860798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.860798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.860798 (E_RNA) where: Base-Base interactions energy: -916.297 where: short stacking energy: -427.043 Base-Backbone interact. energy: 2.342 local terms energy: -458.905121 where: bonds (distance) C4'-P energy: -95.431 bonds (distance) P-C4' energy: -81.442 flat angles C4'-P-C4' energy: -99.797 flat angles P-C4'-P energy: -66.319 tors. eta vs tors. theta energy: -115.915 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: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1204.107625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.107625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.107625 (E_RNA) where: Base-Base interactions energy: -754.411 where: short stacking energy: -355.369 Base-Backbone interact. energy: 0.610 local terms energy: -450.306488 where: bonds (distance) C4'-P energy: -91.500 bonds (distance) P-C4' energy: -105.859 flat angles C4'-P-C4' energy: -99.858 flat angles P-C4'-P energy: -72.353 tors. eta vs tors. theta energy: -80.737 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: 458 Temperature: 1.200000 Total energy: -1067.534801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.534801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.534801 (E_RNA) where: Base-Base interactions energy: -665.712 where: short stacking energy: -336.616 Base-Backbone interact. energy: -3.033 local terms energy: -398.790563 where: bonds (distance) C4'-P energy: -84.921 bonds (distance) P-C4' energy: -96.076 flat angles C4'-P-C4' energy: -100.968 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -64.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -837.982406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.982406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.982406 (E_RNA) where: Base-Base interactions energy: -495.608 where: short stacking energy: -255.336 Base-Backbone interact. energy: 2.546 local terms energy: -344.920525 where: bonds (distance) C4'-P energy: -77.990 bonds (distance) P-C4' energy: -95.565 flat angles C4'-P-C4' energy: -66.856 flat angles P-C4'-P energy: -55.766 tors. eta vs tors. theta energy: -48.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -594.421888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.421888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.421888 (E_RNA) where: Base-Base interactions energy: -252.047 where: short stacking energy: -135.035 Base-Backbone interact. energy: 0.902 local terms energy: -343.275997 where: bonds (distance) C4'-P energy: -88.275 bonds (distance) P-C4' energy: -106.930 flat angles C4'-P-C4' energy: -93.597 flat angles P-C4'-P energy: -61.731 tors. eta vs tors. theta energy: 7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -507.721476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.721476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.721476 (E_RNA) where: Base-Base interactions energy: -186.094 where: short stacking energy: -106.208 Base-Backbone interact. energy: -0.130 local terms energy: -321.496949 where: bonds (distance) C4'-P energy: -90.969 bonds (distance) P-C4' energy: -96.198 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -78.399 tors. eta vs tors. theta energy: 18.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1819.645167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.645167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.645167 (E_RNA) where: Base-Base interactions energy: -1237.377 where: short stacking energy: -541.675 Base-Backbone interact. energy: -2.984 local terms energy: -579.283879 where: bonds (distance) C4'-P energy: -109.553 bonds (distance) P-C4' energy: -113.176 flat angles C4'-P-C4' energy: -124.153 flat angles P-C4'-P energy: -77.348 tors. eta vs tors. theta energy: -155.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1715.744955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.744955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.744955 (E_RNA) where: Base-Base interactions energy: -1126.853 where: short stacking energy: -512.738 Base-Backbone interact. energy: -2.884 local terms energy: -586.008411 where: bonds (distance) C4'-P energy: -109.402 bonds (distance) P-C4' energy: -121.820 flat angles C4'-P-C4' energy: -124.867 flat angles P-C4'-P energy: -80.885 tors. eta vs tors. theta energy: -149.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1624.627541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.627541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.627541 (E_RNA) where: Base-Base interactions energy: -1091.770 where: short stacking energy: -492.272 Base-Backbone interact. energy: -0.500 local terms energy: -532.358026 where: bonds (distance) C4'-P energy: -107.722 bonds (distance) P-C4' energy: -96.474 flat angles C4'-P-C4' energy: -119.011 flat angles P-C4'-P energy: -72.765 tors. eta vs tors. theta energy: -136.386 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: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1471.899851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.899851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.899851 (E_RNA) where: Base-Base interactions energy: -977.246 where: short stacking energy: -424.608 Base-Backbone interact. energy: -3.891 local terms energy: -490.763701 where: bonds (distance) C4'-P energy: -96.345 bonds (distance) P-C4' energy: -106.452 flat angles C4'-P-C4' energy: -111.251 flat angles P-C4'-P energy: -72.650 tors. eta vs tors. theta energy: -104.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1361.124122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.124122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.124122 (E_RNA) where: Base-Base interactions energy: -894.915 where: short stacking energy: -413.323 Base-Backbone interact. energy: -1.054 local terms energy: -465.154754 where: bonds (distance) C4'-P energy: -98.165 bonds (distance) P-C4' energy: -99.383 flat angles C4'-P-C4' energy: -100.880 flat angles P-C4'-P energy: -74.646 tors. eta vs tors. theta energy: -92.080 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: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1214.306867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.306867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.306867 (E_RNA) where: Base-Base interactions energy: -780.893 where: short stacking energy: -378.490 Base-Backbone interact. energy: -2.397 local terms energy: -431.016456 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -107.682 flat angles C4'-P-C4' energy: -103.913 flat angles P-C4'-P energy: -53.180 tors. eta vs tors. theta energy: -93.063 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: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1030.696263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.696263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.696263 (E_RNA) where: Base-Base interactions energy: -626.092 where: short stacking energy: -319.075 Base-Backbone interact. energy: -1.972 local terms energy: -402.632737 where: bonds (distance) C4'-P energy: -102.137 bonds (distance) P-C4' energy: -90.456 flat angles C4'-P-C4' energy: -102.730 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -49.804 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: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -825.213774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.213774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.213774 (E_RNA) where: Base-Base interactions energy: -460.978 where: short stacking energy: -241.853 Base-Backbone interact. energy: -3.622 local terms energy: -360.613586 where: bonds (distance) C4'-P energy: -94.224 bonds (distance) P-C4' energy: -87.482 flat angles C4'-P-C4' energy: -76.093 flat angles P-C4'-P energy: -60.182 tors. eta vs tors. theta energy: -42.633 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: 1 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -598.275677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.275677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.275677 (E_RNA) where: Base-Base interactions energy: -254.664 where: short stacking energy: -147.321 Base-Backbone interact. energy: 3.073 local terms energy: -346.683749 where: bonds (distance) C4'-P energy: -84.576 bonds (distance) P-C4' energy: -111.458 flat angles C4'-P-C4' energy: -84.082 flat angles P-C4'-P energy: -70.771 tors. eta vs tors. theta energy: 4.203 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: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -542.193489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.193489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.193489 (E_RNA) where: Base-Base interactions energy: -225.914 where: short stacking energy: -158.683 Base-Backbone interact. energy: -0.522 local terms energy: -315.757808 where: bonds (distance) C4'-P energy: -87.961 bonds (distance) P-C4' energy: -96.987 flat angles C4'-P-C4' energy: -77.962 flat angles P-C4'-P energy: -54.493 tors. eta vs tors. theta energy: 1.644 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: 460 Temperature: 0.900000 Total energy: -1817.225389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.225389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.225389 (E_RNA) where: Base-Base interactions energy: -1231.061 where: short stacking energy: -567.516 Base-Backbone interact. energy: 1.065 local terms energy: -587.229822 where: bonds (distance) C4'-P energy: -98.074 bonds (distance) P-C4' energy: -123.157 flat angles C4'-P-C4' energy: -124.070 flat angles P-C4'-P energy: -89.737 tors. eta vs tors. theta energy: -152.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1699.384556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.384556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.384556 (E_RNA) where: Base-Base interactions energy: -1149.192 where: short stacking energy: -504.095 Base-Backbone interact. energy: -2.927 local terms energy: -547.265638 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -116.097 flat angles C4'-P-C4' energy: -118.841 flat angles P-C4'-P energy: -68.519 tors. eta vs tors. theta energy: -150.645 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: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1589.445565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.445565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.445565 (E_RNA) where: Base-Base interactions energy: -1060.471 where: short stacking energy: -464.093 Base-Backbone interact. energy: 0.102 local terms energy: -529.076012 where: bonds (distance) C4'-P energy: -98.704 bonds (distance) P-C4' energy: -98.460 flat angles C4'-P-C4' energy: -124.902 flat angles P-C4'-P energy: -83.476 tors. eta vs tors. theta energy: -123.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1469.432862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.432862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.432862 (E_RNA) where: Base-Base interactions energy: -977.413 where: short stacking energy: -440.110 Base-Backbone interact. energy: -5.243 local terms energy: -486.776157 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -103.436 flat angles C4'-P-C4' energy: -111.007 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -102.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1365.580459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.580459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.580459 (E_RNA) where: Base-Base interactions energy: -896.371 where: short stacking energy: -401.554 Base-Backbone interact. energy: -1.120 local terms energy: -468.089185 where: bonds (distance) C4'-P energy: -98.929 bonds (distance) P-C4' energy: -97.283 flat angles C4'-P-C4' energy: -94.628 flat angles P-C4'-P energy: -69.287 tors. eta vs tors. theta energy: -107.963 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: 460 Temperature: 1.150000 Total energy: -1221.364502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.364502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.364502 (E_RNA) where: Base-Base interactions energy: -787.425 where: short stacking energy: -370.550 Base-Backbone interact. energy: -1.938 local terms energy: -432.001153 where: bonds (distance) C4'-P energy: -93.161 bonds (distance) P-C4' energy: -98.777 flat angles C4'-P-C4' energy: -85.868 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -92.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1028.618488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.618488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.618488 (E_RNA) where: Base-Base interactions energy: -633.848 where: short stacking energy: -318.049 Base-Backbone interact. energy: 3.292 local terms energy: -398.063358 where: bonds (distance) C4'-P energy: -83.586 bonds (distance) P-C4' energy: -87.780 flat angles C4'-P-C4' energy: -103.769 flat angles P-C4'-P energy: -52.954 tors. eta vs tors. theta energy: -69.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -779.385528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.385528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.385528 (E_RNA) where: Base-Base interactions energy: -421.191 where: short stacking energy: -224.126 Base-Backbone interact. energy: 2.580 local terms energy: -360.774691 where: bonds (distance) C4'-P energy: -101.902 bonds (distance) P-C4' energy: -98.828 flat angles C4'-P-C4' energy: -92.720 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: -27.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -623.286443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.286443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.286443 (E_RNA) where: Base-Base interactions energy: -287.187 where: short stacking energy: -176.249 Base-Backbone interact. energy: 5.315 local terms energy: -341.414303 where: bonds (distance) C4'-P energy: -77.544 bonds (distance) P-C4' energy: -99.766 flat angles C4'-P-C4' energy: -95.590 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -13.238 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: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -430.346555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.346555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.346555 (E_RNA) where: Base-Base interactions energy: -162.614 where: short stacking energy: -128.677 Base-Backbone interact. energy: 3.276 local terms energy: -271.009382 where: bonds (distance) C4'-P energy: -99.138 bonds (distance) P-C4' energy: -84.936 flat angles C4'-P-C4' energy: -69.009 flat angles P-C4'-P energy: -31.088 tors. eta vs tors. theta energy: 13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1779.519893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.519893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.519893 (E_RNA) where: Base-Base interactions energy: -1215.738 where: short stacking energy: -538.620 Base-Backbone interact. energy: -2.084 local terms energy: -561.698340 where: bonds (distance) C4'-P energy: -106.356 bonds (distance) P-C4' energy: -109.056 flat angles C4'-P-C4' energy: -124.093 flat angles P-C4'-P energy: -81.875 tors. eta vs tors. theta energy: -140.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1705.423207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.423207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.423207 (E_RNA) where: Base-Base interactions energy: -1145.290 where: short stacking energy: -513.653 Base-Backbone interact. energy: -1.671 local terms energy: -558.462460 where: bonds (distance) C4'-P energy: -102.251 bonds (distance) P-C4' energy: -117.550 flat angles C4'-P-C4' energy: -110.517 flat angles P-C4'-P energy: -74.454 tors. eta vs tors. theta energy: -153.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1588.679582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.679582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.679582 (E_RNA) where: Base-Base interactions energy: -1052.898 where: short stacking energy: -485.099 Base-Backbone interact. energy: 0.740 local terms energy: -536.521624 where: bonds (distance) C4'-P energy: -92.249 bonds (distance) P-C4' energy: -113.228 flat angles C4'-P-C4' energy: -123.559 flat angles P-C4'-P energy: -74.143 tors. eta vs tors. theta energy: -133.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1546.887478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.887478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.887478 (E_RNA) where: Base-Base interactions energy: -1032.979 where: short stacking energy: -462.083 Base-Backbone interact. energy: -0.435 local terms energy: -513.474415 where: bonds (distance) C4'-P energy: -87.987 bonds (distance) P-C4' energy: -114.377 flat angles C4'-P-C4' energy: -117.476 flat angles P-C4'-P energy: -81.386 tors. eta vs tors. theta energy: -112.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1329.022764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.022764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.022764 (E_RNA) where: Base-Base interactions energy: -858.079 where: short stacking energy: -402.649 Base-Backbone interact. energy: -1.249 local terms energy: -469.694688 where: bonds (distance) C4'-P energy: -94.462 bonds (distance) P-C4' energy: -90.039 flat angles C4'-P-C4' energy: -100.862 flat angles P-C4'-P energy: -76.004 tors. eta vs tors. theta energy: -108.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1199.943176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.943176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.943176 (E_RNA) where: Base-Base interactions energy: -751.704 where: short stacking energy: -340.242 Base-Backbone interact. energy: -1.600 local terms energy: -446.638580 where: bonds (distance) C4'-P energy: -96.598 bonds (distance) P-C4' energy: -100.660 flat angles C4'-P-C4' energy: -110.792 flat angles P-C4'-P energy: -75.742 tors. eta vs tors. theta energy: -62.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1068.793564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.793564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.793564 (E_RNA) where: Base-Base interactions energy: -650.903 where: short stacking energy: -315.772 Base-Backbone interact. energy: 0.708 local terms energy: -418.598746 where: bonds (distance) C4'-P energy: -89.683 bonds (distance) P-C4' energy: -108.044 flat angles C4'-P-C4' energy: -105.196 flat angles P-C4'-P energy: -55.736 tors. eta vs tors. theta energy: -59.940 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: 10 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -837.795465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.795465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.795465 (E_RNA) where: Base-Base interactions energy: -476.495 where: short stacking energy: -238.710 Base-Backbone interact. energy: -5.334 local terms energy: -355.966888 where: bonds (distance) C4'-P energy: -98.527 bonds (distance) P-C4' energy: -106.514 flat angles C4'-P-C4' energy: -90.504 flat angles P-C4'-P energy: -30.762 tors. eta vs tors. theta energy: -29.660 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: 1 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -608.119023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.119023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.119023 (E_RNA) where: Base-Base interactions energy: -254.728 where: short stacking energy: -169.504 Base-Backbone interact. energy: -1.374 local terms energy: -352.016257 where: bonds (distance) C4'-P energy: -102.162 bonds (distance) P-C4' energy: -107.096 flat angles C4'-P-C4' energy: -84.560 flat angles P-C4'-P energy: -59.521 tors. eta vs tors. theta energy: 1.322 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: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -429.160613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.160613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.160613 (E_RNA) where: Base-Base interactions energy: -146.154 where: short stacking energy: -121.982 Base-Backbone interact. energy: 1.531 local terms energy: -284.537139 where: bonds (distance) C4'-P energy: -86.859 bonds (distance) P-C4' energy: -86.600 flat angles C4'-P-C4' energy: -71.363 flat angles P-C4'-P energy: -52.666 tors. eta vs tors. theta energy: 12.951 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: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1808.196121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.196121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.196121 (E_RNA) where: Base-Base interactions energy: -1232.240 where: short stacking energy: -533.980 Base-Backbone interact. energy: -1.553 local terms energy: -574.403438 where: bonds (distance) C4'-P energy: -111.648 bonds (distance) P-C4' energy: -111.992 flat angles C4'-P-C4' energy: -121.467 flat angles P-C4'-P energy: -85.179 tors. eta vs tors. theta energy: -144.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1738.397914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.397914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.397914 (E_RNA) where: Base-Base interactions energy: -1188.090 where: short stacking energy: -515.114 Base-Backbone interact. energy: -1.922 local terms energy: -548.385545 where: bonds (distance) C4'-P energy: -120.396 bonds (distance) P-C4' energy: -89.002 flat angles C4'-P-C4' energy: -124.996 flat angles P-C4'-P energy: -76.128 tors. eta vs tors. theta energy: -137.863 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: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1613.908194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.908194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.908194 (E_RNA) where: Base-Base interactions energy: -1072.485 where: short stacking energy: -471.229 Base-Backbone interact. energy: -3.424 local terms energy: -537.999338 where: bonds (distance) C4'-P energy: -107.690 bonds (distance) P-C4' energy: -106.285 flat angles C4'-P-C4' energy: -117.249 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -134.187 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: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1512.711437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.711437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.711437 (E_RNA) where: Base-Base interactions energy: -1020.839 where: short stacking energy: -443.114 Base-Backbone interact. energy: 3.438 local terms energy: -495.309729 where: bonds (distance) C4'-P energy: -95.655 bonds (distance) P-C4' energy: -102.557 flat angles C4'-P-C4' energy: -104.759 flat angles P-C4'-P energy: -76.506 tors. eta vs tors. theta energy: -115.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1322.447291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.447291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.447291 (E_RNA) where: Base-Base interactions energy: -862.562 where: short stacking energy: -435.050 Base-Backbone interact. energy: 1.143 local terms energy: -461.028876 where: bonds (distance) C4'-P energy: -79.905 bonds (distance) P-C4' energy: -93.763 flat angles C4'-P-C4' energy: -89.749 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -121.816 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: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1255.394830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.394830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.394830 (E_RNA) where: Base-Base interactions energy: -813.521 where: short stacking energy: -379.727 Base-Backbone interact. energy: 0.391 local terms energy: -442.264801 where: bonds (distance) C4'-P energy: -85.917 bonds (distance) P-C4' energy: -88.168 flat angles C4'-P-C4' energy: -107.641 flat angles P-C4'-P energy: -74.301 tors. eta vs tors. theta energy: -86.237 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: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1088.407983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.407983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.407983 (E_RNA) where: Base-Base interactions energy: -710.528 where: short stacking energy: -327.937 Base-Backbone interact. energy: 1.869 local terms energy: -379.748844 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -96.933 flat angles C4'-P-C4' energy: -79.259 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -61.083 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: 10 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -866.755470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.755470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.755470 (E_RNA) where: Base-Base interactions energy: -522.380 where: short stacking energy: -252.384 Base-Backbone interact. energy: -1.568 local terms energy: -342.807436 where: bonds (distance) C4'-P energy: -99.135 bonds (distance) P-C4' energy: -80.698 flat angles C4'-P-C4' energy: -87.643 flat angles P-C4'-P energy: -50.974 tors. eta vs tors. theta energy: -24.357 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: 1 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -611.039287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.039287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.039287 (E_RNA) where: Base-Base interactions energy: -292.351 where: short stacking energy: -182.140 Base-Backbone interact. energy: -0.794 local terms energy: -317.894324 where: bonds (distance) C4'-P energy: -106.084 bonds (distance) P-C4' energy: -82.083 flat angles C4'-P-C4' energy: -77.461 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -3.277 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: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -441.584380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.584380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.584380 (E_RNA) where: Base-Base interactions energy: -145.467 where: short stacking energy: -113.597 Base-Backbone interact. energy: -1.870 local terms energy: -294.247097 where: bonds (distance) C4'-P energy: -103.856 bonds (distance) P-C4' energy: -89.538 flat angles C4'-P-C4' energy: -84.090 flat angles P-C4'-P energy: -32.394 tors. eta vs tors. theta energy: 15.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1793.784101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.784101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.784101 (E_RNA) where: Base-Base interactions energy: -1219.673 where: short stacking energy: -538.795 Base-Backbone interact. energy: -3.119 local terms energy: -570.992053 where: bonds (distance) C4'-P energy: -111.401 bonds (distance) P-C4' energy: -108.181 flat angles C4'-P-C4' energy: -128.717 flat angles P-C4'-P energy: -75.875 tors. eta vs tors. theta energy: -146.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1746.434882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.434882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.434882 (E_RNA) where: Base-Base interactions energy: -1167.537 where: short stacking energy: -520.181 Base-Backbone interact. energy: -0.301 local terms energy: -578.597647 where: bonds (distance) C4'-P energy: -107.794 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -118.917 flat angles P-C4'-P energy: -83.641 tors. eta vs tors. theta energy: -156.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1620.011614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.011614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.011614 (E_RNA) where: Base-Base interactions energy: -1061.007 where: short stacking energy: -465.218 Base-Backbone interact. energy: -5.460 local terms energy: -553.545317 where: bonds (distance) C4'-P energy: -117.549 bonds (distance) P-C4' energy: -111.516 flat angles C4'-P-C4' energy: -112.957 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -138.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1511.994161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.994161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.994161 (E_RNA) where: Base-Base interactions energy: -1006.804 where: short stacking energy: -435.462 Base-Backbone interact. energy: 0.770 local terms energy: -505.960860 where: bonds (distance) C4'-P energy: -107.197 bonds (distance) P-C4' energy: -109.883 flat angles C4'-P-C4' energy: -111.260 flat angles P-C4'-P energy: -69.781 tors. eta vs tors. theta energy: -107.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1260.319428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.319428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.319428 (E_RNA) where: Base-Base interactions energy: -790.012 where: short stacking energy: -386.673 Base-Backbone interact. energy: -0.133 local terms energy: -470.173941 where: bonds (distance) C4'-P energy: -92.655 bonds (distance) P-C4' energy: -96.355 flat angles C4'-P-C4' energy: -115.187 flat angles P-C4'-P energy: -63.453 tors. eta vs tors. theta energy: -102.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1270.009880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.009880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.009880 (E_RNA) where: Base-Base interactions energy: -801.296 where: short stacking energy: -379.114 Base-Backbone interact. energy: -1.388 local terms energy: -467.325210 where: bonds (distance) C4'-P energy: -99.536 bonds (distance) P-C4' energy: -96.845 flat angles C4'-P-C4' energy: -117.172 flat angles P-C4'-P energy: -61.680 tors. eta vs tors. theta energy: -92.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1098.117340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.117340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.117340 (E_RNA) where: Base-Base interactions energy: -676.605 where: short stacking energy: -340.728 Base-Backbone interact. energy: -1.133 local terms energy: -420.379088 where: bonds (distance) C4'-P energy: -83.863 bonds (distance) P-C4' energy: -105.183 flat angles C4'-P-C4' energy: -104.563 flat angles P-C4'-P energy: -62.307 tors. eta vs tors. theta energy: -64.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -881.139024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.139024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.139024 (E_RNA) where: Base-Base interactions energy: -527.804 where: short stacking energy: -252.770 Base-Backbone interact. energy: -3.262 local terms energy: -350.073250 where: bonds (distance) C4'-P energy: -97.418 bonds (distance) P-C4' energy: -89.151 flat angles C4'-P-C4' energy: -86.576 flat angles P-C4'-P energy: -42.257 tors. eta vs tors. theta energy: -34.672 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: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -610.884461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.884461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.884461 (E_RNA) where: Base-Base interactions energy: -296.909 where: short stacking energy: -167.151 Base-Backbone interact. energy: 0.070 local terms energy: -314.045897 where: bonds (distance) C4'-P energy: -82.743 bonds (distance) P-C4' energy: -102.486 flat angles C4'-P-C4' energy: -80.059 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -0.648 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: 463 Temperature: 1.350000 Total energy: -460.410473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.410473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.410473 (E_RNA) where: Base-Base interactions energy: -142.110 where: short stacking energy: -113.556 Base-Backbone interact. energy: 3.539 local terms energy: -321.839943 where: bonds (distance) C4'-P energy: -93.526 bonds (distance) P-C4' energy: -91.611 flat angles C4'-P-C4' energy: -79.538 flat angles P-C4'-P energy: -67.400 tors. eta vs tors. theta energy: 10.234 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: 2 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1816.975091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.975091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.975091 (E_RNA) where: Base-Base interactions energy: -1224.021 where: short stacking energy: -529.431 Base-Backbone interact. energy: -0.020 local terms energy: -592.933758 where: bonds (distance) C4'-P energy: -118.303 bonds (distance) P-C4' energy: -109.309 flat angles C4'-P-C4' energy: -120.824 flat angles P-C4'-P energy: -89.926 tors. eta vs tors. theta energy: -154.572 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: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1714.697465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.697465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.697465 (E_RNA) where: Base-Base interactions energy: -1188.570 where: short stacking energy: -509.415 Base-Backbone interact. energy: -0.928 local terms energy: -525.199672 where: bonds (distance) C4'-P energy: -94.443 bonds (distance) P-C4' energy: -95.577 flat angles C4'-P-C4' energy: -118.777 flat angles P-C4'-P energy: -82.653 tors. eta vs tors. theta energy: -133.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1577.427186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.427186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.427186 (E_RNA) where: Base-Base interactions energy: -1030.095 where: short stacking energy: -484.033 Base-Backbone interact. energy: -6.045 local terms energy: -541.286415 where: bonds (distance) C4'-P energy: -107.069 bonds (distance) P-C4' energy: -106.800 flat angles C4'-P-C4' energy: -122.367 flat angles P-C4'-P energy: -72.383 tors. eta vs tors. theta energy: -132.668 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: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1529.835048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.835048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.835048 (E_RNA) where: Base-Base interactions energy: -1040.900 where: short stacking energy: -451.383 Base-Backbone interact. energy: 3.262 local terms energy: -492.197577 where: bonds (distance) C4'-P energy: -97.412 bonds (distance) P-C4' energy: -104.359 flat angles C4'-P-C4' energy: -115.730 flat angles P-C4'-P energy: -68.336 tors. eta vs tors. theta energy: -106.361 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: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1327.337534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.337534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.337534 (E_RNA) where: Base-Base interactions energy: -860.081 where: short stacking energy: -396.627 Base-Backbone interact. energy: -0.872 local terms energy: -466.384556 where: bonds (distance) C4'-P energy: -96.839 bonds (distance) P-C4' energy: -110.042 flat angles C4'-P-C4' energy: -92.699 flat angles P-C4'-P energy: -62.572 tors. eta vs tors. theta energy: -104.232 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: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1215.273109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.273109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.273109 (E_RNA) where: Base-Base interactions energy: -773.560 where: short stacking energy: -355.734 Base-Backbone interact. energy: -1.540 local terms energy: -440.172744 where: bonds (distance) C4'-P energy: -80.879 bonds (distance) P-C4' energy: -97.798 flat angles C4'-P-C4' energy: -102.377 flat angles P-C4'-P energy: -68.568 tors. eta vs tors. theta energy: -90.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1105.904467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.904467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.904467 (E_RNA) where: Base-Base interactions energy: -691.102 where: short stacking energy: -313.765 Base-Backbone interact. energy: -0.645 local terms energy: -414.157268 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -87.083 flat angles C4'-P-C4' energy: -100.006 flat angles P-C4'-P energy: -73.457 tors. eta vs tors. theta energy: -69.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -783.922895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.922895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.922895 (E_RNA) where: Base-Base interactions energy: -448.428 where: short stacking energy: -231.590 Base-Backbone interact. energy: -1.713 local terms energy: -333.781828 where: bonds (distance) C4'-P energy: -88.246 bonds (distance) P-C4' energy: -85.978 flat angles C4'-P-C4' energy: -84.148 flat angles P-C4'-P energy: -48.714 tors. eta vs tors. theta energy: -26.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -691.486919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.486919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.486919 (E_RNA) where: Base-Base interactions energy: -379.959 where: short stacking energy: -218.358 Base-Backbone interact. energy: 0.870 local terms energy: -312.397537 where: bonds (distance) C4'-P energy: -86.282 bonds (distance) P-C4' energy: -93.119 flat angles C4'-P-C4' energy: -73.472 flat angles P-C4'-P energy: -39.600 tors. eta vs tors. theta energy: -19.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -492.101234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.101234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.101234 (E_RNA) where: Base-Base interactions energy: -210.230 where: short stacking energy: -146.365 Base-Backbone interact. energy: 2.679 local terms energy: -284.549572 where: bonds (distance) C4'-P energy: -81.122 bonds (distance) P-C4' energy: -91.994 flat angles C4'-P-C4' energy: -68.598 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: 11.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1811.455144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.455144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.455144 (E_RNA) where: Base-Base interactions energy: -1229.469 where: short stacking energy: -554.661 Base-Backbone interact. energy: 3.614 local terms energy: -585.600995 where: bonds (distance) C4'-P energy: -119.046 bonds (distance) P-C4' energy: -106.300 flat angles C4'-P-C4' energy: -112.145 flat angles P-C4'-P energy: -91.364 tors. eta vs tors. theta energy: -156.746 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: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1704.489724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.489724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.489724 (E_RNA) where: Base-Base interactions energy: -1156.968 where: short stacking energy: -509.337 Base-Backbone interact. energy: 2.985 local terms energy: -550.506180 where: bonds (distance) C4'-P energy: -102.626 bonds (distance) P-C4' energy: -108.520 flat angles C4'-P-C4' energy: -120.401 flat angles P-C4'-P energy: -78.594 tors. eta vs tors. theta energy: -140.365 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: 465 Temperature: 1.000000 Total energy: -1603.770943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.770943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.770943 (E_RNA) where: Base-Base interactions energy: -1072.977 where: short stacking energy: -501.630 Base-Backbone interact. energy: -2.132 local terms energy: -528.662358 where: bonds (distance) C4'-P energy: -100.900 bonds (distance) P-C4' energy: -104.989 flat angles C4'-P-C4' energy: -117.027 flat angles P-C4'-P energy: -62.885 tors. eta vs tors. theta energy: -142.861 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: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1490.761948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.761948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.761948 (E_RNA) where: Base-Base interactions energy: -995.113 where: short stacking energy: -470.953 Base-Backbone interact. energy: -2.072 local terms energy: -493.576821 where: bonds (distance) C4'-P energy: -87.456 bonds (distance) P-C4' energy: -116.757 flat angles C4'-P-C4' energy: -114.801 flat angles P-C4'-P energy: -59.852 tors. eta vs tors. theta energy: -114.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1342.841774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.841774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.841774 (E_RNA) where: Base-Base interactions energy: -876.179 where: short stacking energy: -383.007 Base-Backbone interact. energy: -3.815 local terms energy: -462.847365 where: bonds (distance) C4'-P energy: -81.258 bonds (distance) P-C4' energy: -101.757 flat angles C4'-P-C4' energy: -110.426 flat angles P-C4'-P energy: -65.549 tors. eta vs tors. theta energy: -103.858 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: 6, replica: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1216.497981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.497981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.497981 (E_RNA) where: Base-Base interactions energy: -774.800 where: short stacking energy: -380.730 Base-Backbone interact. energy: 2.145 local terms energy: -443.842522 where: bonds (distance) C4'-P energy: -95.768 bonds (distance) P-C4' energy: -105.705 flat angles C4'-P-C4' energy: -103.642 flat angles P-C4'-P energy: -49.141 tors. eta vs tors. theta energy: -89.586 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: 465 Temperature: 1.200000 Total energy: -1096.384503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.384503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.384503 (E_RNA) where: Base-Base interactions energy: -681.859 where: short stacking energy: -308.713 Base-Backbone interact. energy: -4.309 local terms energy: -410.216409 where: bonds (distance) C4'-P energy: -101.884 bonds (distance) P-C4' energy: -99.543 flat angles C4'-P-C4' energy: -102.672 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: -51.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -813.195449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.195449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.195449 (E_RNA) where: Base-Base interactions energy: -492.966 where: short stacking energy: -236.548 Base-Backbone interact. energy: -0.078 local terms energy: -320.151276 where: bonds (distance) C4'-P energy: -89.712 bonds (distance) P-C4' energy: -80.148 flat angles C4'-P-C4' energy: -80.535 flat angles P-C4'-P energy: -45.380 tors. eta vs tors. theta energy: -24.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -702.278480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.278480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.278480 (E_RNA) where: Base-Base interactions energy: -379.730 where: short stacking energy: -190.057 Base-Backbone interact. energy: -1.808 local terms energy: -320.741373 where: bonds (distance) C4'-P energy: -109.539 bonds (distance) P-C4' energy: -89.111 flat angles C4'-P-C4' energy: -61.110 flat angles P-C4'-P energy: -52.940 tors. eta vs tors. theta energy: -8.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -529.524319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.524319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.524319 (E_RNA) where: Base-Base interactions energy: -218.496 where: short stacking energy: -146.764 Base-Backbone interact. energy: 2.536 local terms energy: -313.565080 where: bonds (distance) C4'-P energy: -90.811 bonds (distance) P-C4' energy: -83.734 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -58.111 tors. eta vs tors. theta energy: 13.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1811.103931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.103931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.103931 (E_RNA) where: Base-Base interactions energy: -1241.314 where: short stacking energy: -537.088 Base-Backbone interact. energy: 0.034 local terms energy: -569.823655 where: bonds (distance) C4'-P energy: -98.405 bonds (distance) P-C4' energy: -104.453 flat angles C4'-P-C4' energy: -126.002 flat angles P-C4'-P energy: -87.475 tors. eta vs tors. theta energy: -153.490 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: 466 Temperature: 0.950000 Total energy: -1702.811408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.811408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.811408 (E_RNA) where: Base-Base interactions energy: -1155.413 where: short stacking energy: -495.083 Base-Backbone interact. energy: -3.283 local terms energy: -544.115605 where: bonds (distance) C4'-P energy: -85.284 bonds (distance) P-C4' energy: -122.932 flat angles C4'-P-C4' energy: -119.742 flat angles P-C4'-P energy: -76.969 tors. eta vs tors. theta energy: -139.189 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: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1588.958854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.958854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.958854 (E_RNA) where: Base-Base interactions energy: -1079.377 where: short stacking energy: -459.608 Base-Backbone interact. energy: -3.278 local terms energy: -506.303926 where: bonds (distance) C4'-P energy: -100.314 bonds (distance) P-C4' energy: -104.186 flat angles C4'-P-C4' energy: -114.886 flat angles P-C4'-P energy: -67.404 tors. eta vs tors. theta energy: -119.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1499.744873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.744873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.744873 (E_RNA) where: Base-Base interactions energy: -1014.206 where: short stacking energy: -451.064 Base-Backbone interact. energy: -1.404 local terms energy: -484.134681 where: bonds (distance) C4'-P energy: -102.372 bonds (distance) P-C4' energy: -80.777 flat angles C4'-P-C4' energy: -116.555 flat angles P-C4'-P energy: -68.838 tors. eta vs tors. theta energy: -115.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1385.079519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.079519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.079519 (E_RNA) where: Base-Base interactions energy: -897.852 where: short stacking energy: -423.041 Base-Backbone interact. energy: -1.389 local terms energy: -485.838363 where: bonds (distance) C4'-P energy: -99.602 bonds (distance) P-C4' energy: -103.411 flat angles C4'-P-C4' energy: -108.082 flat angles P-C4'-P energy: -67.059 tors. eta vs tors. theta energy: -107.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1190.395380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.395380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.395380 (E_RNA) where: Base-Base interactions energy: -763.064 where: short stacking energy: -353.148 Base-Backbone interact. energy: -0.935 local terms energy: -426.396407 where: bonds (distance) C4'-P energy: -79.159 bonds (distance) P-C4' energy: -104.776 flat angles C4'-P-C4' energy: -103.124 flat angles P-C4'-P energy: -74.005 tors. eta vs tors. theta energy: -65.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1110.675927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.675927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.675927 (E_RNA) where: Base-Base interactions energy: -707.335 where: short stacking energy: -351.940 Base-Backbone interact. energy: 5.368 local terms energy: -408.708747 where: bonds (distance) C4'-P energy: -81.314 bonds (distance) P-C4' energy: -86.552 flat angles C4'-P-C4' energy: -100.710 flat angles P-C4'-P energy: -70.348 tors. eta vs tors. theta energy: -69.785 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: 10 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -828.145094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.145094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.145094 (E_RNA) where: Base-Base interactions energy: -457.351 where: short stacking energy: -249.858 Base-Backbone interact. energy: 1.352 local terms energy: -372.146344 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -97.335 flat angles C4'-P-C4' energy: -85.950 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: -37.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -721.792695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.792695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.792695 (E_RNA) where: Base-Base interactions energy: -407.141 where: short stacking energy: -215.753 Base-Backbone interact. energy: 0.046 local terms energy: -314.698197 where: bonds (distance) C4'-P energy: -79.294 bonds (distance) P-C4' energy: -102.874 flat angles C4'-P-C4' energy: -89.777 flat angles P-C4'-P energy: -36.609 tors. eta vs tors. theta energy: -6.145 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: 466 Temperature: 1.350000 Total energy: -457.758076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.758076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.758076 (E_RNA) where: Base-Base interactions energy: -202.358 where: short stacking energy: -124.903 Base-Backbone interact. energy: 2.357 local terms energy: -257.756274 where: bonds (distance) C4'-P energy: -81.340 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -65.198 flat angles P-C4'-P energy: -29.517 tors. eta vs tors. theta energy: 17.482 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: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1796.950431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.950431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.950431 (E_RNA) where: Base-Base interactions energy: -1216.129 where: short stacking energy: -544.854 Base-Backbone interact. energy: -1.877 local terms energy: -578.944368 where: bonds (distance) C4'-P energy: -103.512 bonds (distance) P-C4' energy: -121.692 flat angles C4'-P-C4' energy: -126.058 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -154.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1735.958054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.958054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.958054 (E_RNA) where: Base-Base interactions energy: -1180.871 where: short stacking energy: -515.792 Base-Backbone interact. energy: -1.898 local terms energy: -553.189848 where: bonds (distance) C4'-P energy: -95.364 bonds (distance) P-C4' energy: -101.814 flat angles C4'-P-C4' energy: -117.520 flat angles P-C4'-P energy: -91.430 tors. eta vs tors. theta energy: -147.062 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: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1639.149891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.149891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.149891 (E_RNA) where: Base-Base interactions energy: -1102.920 where: short stacking energy: -510.957 Base-Backbone interact. energy: 0.054 local terms energy: -536.283457 where: bonds (distance) C4'-P energy: -87.723 bonds (distance) P-C4' energy: -102.694 flat angles C4'-P-C4' energy: -117.341 flat angles P-C4'-P energy: -82.306 tors. eta vs tors. theta energy: -146.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1487.124764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.124764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.124764 (E_RNA) where: Base-Base interactions energy: -1019.907 where: short stacking energy: -449.336 Base-Backbone interact. energy: -2.263 local terms energy: -464.955047 where: bonds (distance) C4'-P energy: -101.339 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -115.539 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -93.155 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: 467 Temperature: 1.100000 Total energy: -1384.385394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.385394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.385394 (E_RNA) where: Base-Base interactions energy: -896.530 where: short stacking energy: -420.065 Base-Backbone interact. energy: -0.757 local terms energy: -487.098781 where: bonds (distance) C4'-P energy: -99.193 bonds (distance) P-C4' energy: -108.933 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -67.965 tors. eta vs tors. theta energy: -117.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1139.836495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.836495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.836495 (E_RNA) where: Base-Base interactions energy: -714.059 where: short stacking energy: -352.775 Base-Backbone interact. energy: 1.295 local terms energy: -427.072466 where: bonds (distance) C4'-P energy: -86.059 bonds (distance) P-C4' energy: -100.486 flat angles C4'-P-C4' energy: -106.395 flat angles P-C4'-P energy: -52.866 tors. eta vs tors. theta energy: -81.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1141.802516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.802516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.802516 (E_RNA) where: Base-Base interactions energy: -713.470 where: short stacking energy: -311.591 Base-Backbone interact. energy: -1.187 local terms energy: -427.145961 where: bonds (distance) C4'-P energy: -101.264 bonds (distance) P-C4' energy: -89.954 flat angles C4'-P-C4' energy: -99.741 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -64.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -786.369077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.369077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.369077 (E_RNA) where: Base-Base interactions energy: -432.669 where: short stacking energy: -215.032 Base-Backbone interact. energy: -1.317 local terms energy: -352.383776 where: bonds (distance) C4'-P energy: -94.594 bonds (distance) P-C4' energy: -91.189 flat angles C4'-P-C4' energy: -100.765 flat angles P-C4'-P energy: -54.572 tors. eta vs tors. theta energy: -11.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -732.172969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.172969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.172969 (E_RNA) where: Base-Base interactions energy: -399.903 where: short stacking energy: -209.995 Base-Backbone interact. energy: -1.776 local terms energy: -330.493316 where: bonds (distance) C4'-P energy: -85.644 bonds (distance) P-C4' energy: -102.445 flat angles C4'-P-C4' energy: -87.199 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -11.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -456.762418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.762418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.762418 (E_RNA) where: Base-Base interactions energy: -160.287 where: short stacking energy: -126.417 Base-Backbone interact. energy: 4.762 local terms energy: -301.237429 where: bonds (distance) C4'-P energy: -97.513 bonds (distance) P-C4' energy: -89.393 flat angles C4'-P-C4' energy: -84.025 flat angles P-C4'-P energy: -54.706 tors. eta vs tors. theta energy: 24.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1839.262032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.262032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.262032 (E_RNA) where: Base-Base interactions energy: -1254.351 where: short stacking energy: -553.414 Base-Backbone interact. energy: -1.165 local terms energy: -583.745826 where: bonds (distance) C4'-P energy: -98.043 bonds (distance) P-C4' energy: -107.406 flat angles C4'-P-C4' energy: -132.960 flat angles P-C4'-P energy: -83.345 tors. eta vs tors. theta energy: -161.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1735.340464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.340464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.340464 (E_RNA) where: Base-Base interactions energy: -1190.892 where: short stacking energy: -514.096 Base-Backbone interact. energy: 2.823 local terms energy: -547.271779 where: bonds (distance) C4'-P energy: -91.082 bonds (distance) P-C4' energy: -100.361 flat angles C4'-P-C4' energy: -122.344 flat angles P-C4'-P energy: -86.511 tors. eta vs tors. theta energy: -146.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1625.995912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.995912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.995912 (E_RNA) where: Base-Base interactions energy: -1098.693 where: short stacking energy: -497.350 Base-Backbone interact. energy: -2.183 local terms energy: -525.119838 where: bonds (distance) C4'-P energy: -96.625 bonds (distance) P-C4' energy: -101.288 flat angles C4'-P-C4' energy: -110.082 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -137.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1482.835611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.835611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.835611 (E_RNA) where: Base-Base interactions energy: -1014.955 where: short stacking energy: -441.822 Base-Backbone interact. energy: 2.605 local terms energy: -470.485494 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -98.960 flat angles C4'-P-C4' energy: -104.824 flat angles P-C4'-P energy: -76.756 tors. eta vs tors. theta energy: -109.330 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: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1343.743861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.743861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.743861 (E_RNA) where: Base-Base interactions energy: -876.011 where: short stacking energy: -418.265 Base-Backbone interact. energy: -0.256 local terms energy: -467.476564 where: bonds (distance) C4'-P energy: -80.962 bonds (distance) P-C4' energy: -98.784 flat angles C4'-P-C4' energy: -108.275 flat angles P-C4'-P energy: -70.567 tors. eta vs tors. theta energy: -108.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1139.934152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.934152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.934152 (E_RNA) where: Base-Base interactions energy: -691.656 where: short stacking energy: -343.645 Base-Backbone interact. energy: -0.193 local terms energy: -448.084444 where: bonds (distance) C4'-P energy: -102.113 bonds (distance) P-C4' energy: -101.744 flat angles C4'-P-C4' energy: -103.524 flat angles P-C4'-P energy: -61.262 tors. eta vs tors. theta energy: -79.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1115.289469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.289469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.289469 (E_RNA) where: Base-Base interactions energy: -679.584 where: short stacking energy: -316.623 Base-Backbone interact. energy: -0.317 local terms energy: -435.387960 where: bonds (distance) C4'-P energy: -95.452 bonds (distance) P-C4' energy: -112.579 flat angles C4'-P-C4' energy: -109.366 flat angles P-C4'-P energy: -55.078 tors. eta vs tors. theta energy: -62.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -798.368633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.368633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.368633 (E_RNA) where: Base-Base interactions energy: -467.229 where: short stacking energy: -262.125 Base-Backbone interact. energy: 6.070 local terms energy: -337.210245 where: bonds (distance) C4'-P energy: -80.096 bonds (distance) P-C4' energy: -86.688 flat angles C4'-P-C4' energy: -80.398 flat angles P-C4'-P energy: -58.527 tors. eta vs tors. theta energy: -31.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -689.909862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.909862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.909862 (E_RNA) where: Base-Base interactions energy: -347.271 where: short stacking energy: -192.312 Base-Backbone interact. energy: -1.011 local terms energy: -341.628626 where: bonds (distance) C4'-P energy: -85.733 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -103.536 flat angles P-C4'-P energy: -54.486 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -416.084734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.084734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.084734 (E_RNA) where: Base-Base interactions energy: -124.271 where: short stacking energy: -118.864 Base-Backbone interact. energy: -3.330 local terms energy: -288.482959 where: bonds (distance) C4'-P energy: -91.401 bonds (distance) P-C4' energy: -102.532 flat angles C4'-P-C4' energy: -69.111 flat angles P-C4'-P energy: -35.180 tors. eta vs tors. theta energy: 9.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1831.916720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.916720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.916720 (E_RNA) where: Base-Base interactions energy: -1255.211 where: short stacking energy: -552.171 Base-Backbone interact. energy: -0.113 local terms energy: -576.592640 where: bonds (distance) C4'-P energy: -104.508 bonds (distance) P-C4' energy: -105.735 flat angles C4'-P-C4' energy: -124.401 flat angles P-C4'-P energy: -81.777 tors. eta vs tors. theta energy: -160.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1730.618720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.618720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.618720 (E_RNA) where: Base-Base interactions energy: -1173.779 where: short stacking energy: -509.803 Base-Backbone interact. energy: -3.120 local terms energy: -553.719689 where: bonds (distance) C4'-P energy: -107.380 bonds (distance) P-C4' energy: -107.705 flat angles C4'-P-C4' energy: -118.867 flat angles P-C4'-P energy: -71.951 tors. eta vs tors. theta energy: -147.817 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: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1589.703446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.703446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.703446 (E_RNA) where: Base-Base interactions energy: -1063.389 where: short stacking energy: -485.883 Base-Backbone interact. energy: -2.772 local terms energy: -523.542374 where: bonds (distance) C4'-P energy: -97.428 bonds (distance) P-C4' energy: -100.349 flat angles C4'-P-C4' energy: -116.695 flat angles P-C4'-P energy: -69.604 tors. eta vs tors. theta energy: -139.467 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: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1480.790118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.790118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.790118 (E_RNA) where: Base-Base interactions energy: -1001.745 where: short stacking energy: -446.852 Base-Backbone interact. energy: -3.187 local terms energy: -475.857908 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -106.214 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -64.677 tors. eta vs tors. theta energy: -109.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1396.576990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.576990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.576990 (E_RNA) where: Base-Base interactions energy: -915.137 where: short stacking energy: -416.551 Base-Backbone interact. energy: -0.485 local terms energy: -480.954939 where: bonds (distance) C4'-P energy: -99.898 bonds (distance) P-C4' energy: -100.718 flat angles C4'-P-C4' energy: -111.191 flat angles P-C4'-P energy: -66.825 tors. eta vs tors. theta energy: -102.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1114.402530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.402530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.402530 (E_RNA) where: Base-Base interactions energy: -693.871 where: short stacking energy: -324.696 Base-Backbone interact. energy: -2.288 local terms energy: -418.242705 where: bonds (distance) C4'-P energy: -103.205 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -97.721 flat angles P-C4'-P energy: -69.723 tors. eta vs tors. theta energy: -70.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1145.543449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.543449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.543449 (E_RNA) where: Base-Base interactions energy: -717.302 where: short stacking energy: -348.635 Base-Backbone interact. energy: -1.391 local terms energy: -426.849927 where: bonds (distance) C4'-P energy: -100.827 bonds (distance) P-C4' energy: -101.308 flat angles C4'-P-C4' energy: -77.685 flat angles P-C4'-P energy: -69.286 tors. eta vs tors. theta energy: -77.743 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: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -838.066972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.066972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.066972 (E_RNA) where: Base-Base interactions energy: -483.761 where: short stacking energy: -233.321 Base-Backbone interact. energy: 4.899 local terms energy: -359.205396 where: bonds (distance) C4'-P energy: -85.276 bonds (distance) P-C4' energy: -89.421 flat angles C4'-P-C4' energy: -88.003 flat angles P-C4'-P energy: -57.137 tors. eta vs tors. theta energy: -39.369 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: 469 Temperature: 1.300000 Total energy: -695.482076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.482076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.482076 (E_RNA) where: Base-Base interactions energy: -344.730 where: short stacking energy: -198.293 Base-Backbone interact. energy: 0.639 local terms energy: -351.390764 where: bonds (distance) C4'-P energy: -71.680 bonds (distance) P-C4' energy: -119.092 flat angles C4'-P-C4' energy: -72.579 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -32.038 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: 469 Temperature: 1.350000 Total energy: -427.372972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.372972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.372972 (E_RNA) where: Base-Base interactions energy: -156.168 where: short stacking energy: -130.532 Base-Backbone interact. energy: 5.070 local terms energy: -276.274829 where: bonds (distance) C4'-P energy: -83.937 bonds (distance) P-C4' energy: -98.195 flat angles C4'-P-C4' energy: -65.983 flat angles P-C4'-P energy: -44.744 tors. eta vs tors. theta energy: 16.584 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: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1787.344979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.344979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.344979 (E_RNA) where: Base-Base interactions energy: -1213.917 where: short stacking energy: -566.587 Base-Backbone interact. energy: -2.248 local terms energy: -571.180272 where: bonds (distance) C4'-P energy: -107.249 bonds (distance) P-C4' energy: -105.940 flat angles C4'-P-C4' energy: -126.278 flat angles P-C4'-P energy: -70.034 tors. eta vs tors. theta energy: -161.680 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: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1757.189653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.189653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.189653 (E_RNA) where: Base-Base interactions energy: -1171.101 where: short stacking energy: -523.450 Base-Backbone interact. energy: -0.087 local terms energy: -586.002056 where: bonds (distance) C4'-P energy: -108.457 bonds (distance) P-C4' energy: -107.134 flat angles C4'-P-C4' energy: -129.795 flat angles P-C4'-P energy: -79.558 tors. eta vs tors. theta energy: -161.058 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: 470 Temperature: 1.000000 Total energy: -1558.971874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.971874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.971874 (E_RNA) where: Base-Base interactions energy: -1021.060 where: short stacking energy: -470.195 Base-Backbone interact. energy: -0.981 local terms energy: -536.931673 where: bonds (distance) C4'-P energy: -108.591 bonds (distance) P-C4' energy: -111.554 flat angles C4'-P-C4' energy: -114.961 flat angles P-C4'-P energy: -74.116 tors. eta vs tors. theta energy: -127.711 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: 470 Temperature: 1.050000 Total energy: -1516.521523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.521523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.521523 (E_RNA) where: Base-Base interactions energy: -1009.681 where: short stacking energy: -446.926 Base-Backbone interact. energy: -3.630 local terms energy: -503.210822 where: bonds (distance) C4'-P energy: -103.191 bonds (distance) P-C4' energy: -101.567 flat angles C4'-P-C4' energy: -119.089 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -124.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1377.858587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.858587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.858587 (E_RNA) where: Base-Base interactions energy: -901.704 where: short stacking energy: -420.544 Base-Backbone interact. energy: -0.314 local terms energy: -475.839984 where: bonds (distance) C4'-P energy: -88.439 bonds (distance) P-C4' energy: -108.479 flat angles C4'-P-C4' energy: -110.141 flat angles P-C4'-P energy: -59.586 tors. eta vs tors. theta energy: -109.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1112.060666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.060666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.060666 (E_RNA) where: Base-Base interactions energy: -685.512 where: short stacking energy: -325.986 Base-Backbone interact. energy: 2.628 local terms energy: -429.176816 where: bonds (distance) C4'-P energy: -93.881 bonds (distance) P-C4' energy: -91.494 flat angles C4'-P-C4' energy: -100.001 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -73.315 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: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1135.756393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.756393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.756393 (E_RNA) where: Base-Base interactions energy: -728.716 where: short stacking energy: -358.027 Base-Backbone interact. energy: -1.050 local terms energy: -405.990392 where: bonds (distance) C4'-P energy: -77.942 bonds (distance) P-C4' energy: -100.980 flat angles C4'-P-C4' energy: -94.403 flat angles P-C4'-P energy: -52.215 tors. eta vs tors. theta energy: -80.451 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: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -827.941212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.941212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.941212 (E_RNA) where: Base-Base interactions energy: -462.434 where: short stacking energy: -228.186 Base-Backbone interact. energy: -3.367 local terms energy: -362.139910 where: bonds (distance) C4'-P energy: -85.154 bonds (distance) P-C4' energy: -96.082 flat angles C4'-P-C4' energy: -99.309 flat angles P-C4'-P energy: -60.888 tors. eta vs tors. theta energy: -20.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -657.346312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.346312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.346312 (E_RNA) where: Base-Base interactions energy: -323.648 where: short stacking energy: -166.074 Base-Backbone interact. energy: 2.128 local terms energy: -335.826398 where: bonds (distance) C4'-P energy: -92.001 bonds (distance) P-C4' energy: -95.095 flat angles C4'-P-C4' energy: -70.360 flat angles P-C4'-P energy: -51.088 tors. eta vs tors. theta energy: -27.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -441.576760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.576760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.576760 (E_RNA) where: Base-Base interactions energy: -158.725 where: short stacking energy: -129.470 Base-Backbone interact. energy: -0.793 local terms energy: -282.059014 where: bonds (distance) C4'-P energy: -72.996 bonds (distance) P-C4' energy: -88.862 flat angles C4'-P-C4' energy: -78.367 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: 7.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1793.442688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.442688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.442688 (E_RNA) where: Base-Base interactions energy: -1210.561 where: short stacking energy: -541.888 Base-Backbone interact. energy: -2.140 local terms energy: -580.742275 where: bonds (distance) C4'-P energy: -110.626 bonds (distance) P-C4' energy: -114.957 flat angles C4'-P-C4' energy: -119.058 flat angles P-C4'-P energy: -85.079 tors. eta vs tors. theta energy: -151.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1771.951627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.951627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.951627 (E_RNA) where: Base-Base interactions energy: -1201.829 where: short stacking energy: -534.318 Base-Backbone interact. energy: 0.521 local terms energy: -570.643566 where: bonds (distance) C4'-P energy: -119.884 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -118.893 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -154.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1561.695849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.695849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.695849 (E_RNA) where: Base-Base interactions energy: -1058.375 where: short stacking energy: -452.766 Base-Backbone interact. energy: -1.419 local terms energy: -501.901315 where: bonds (distance) C4'-P energy: -97.835 bonds (distance) P-C4' energy: -108.229 flat angles C4'-P-C4' energy: -110.410 flat angles P-C4'-P energy: -72.190 tors. eta vs tors. theta energy: -113.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1496.657793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.657793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.657793 (E_RNA) where: Base-Base interactions energy: -993.045 where: short stacking energy: -432.499 Base-Backbone interact. energy: -3.564 local terms energy: -500.049012 where: bonds (distance) C4'-P energy: -100.732 bonds (distance) P-C4' energy: -113.334 flat angles C4'-P-C4' energy: -112.598 flat angles P-C4'-P energy: -51.911 tors. eta vs tors. theta energy: -121.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1378.417974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.417974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.417974 (E_RNA) where: Base-Base interactions energy: -899.882 where: short stacking energy: -385.798 Base-Backbone interact. energy: 3.769 local terms energy: -482.305176 where: bonds (distance) C4'-P energy: -103.260 bonds (distance) P-C4' energy: -98.585 flat angles C4'-P-C4' energy: -110.997 flat angles P-C4'-P energy: -72.845 tors. eta vs tors. theta energy: -96.619 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: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1050.260672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.260672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.260672 (E_RNA) where: Base-Base interactions energy: -665.262 where: short stacking energy: -306.587 Base-Backbone interact. energy: 0.343 local terms energy: -385.342094 where: bonds (distance) C4'-P energy: -86.347 bonds (distance) P-C4' energy: -92.215 flat angles C4'-P-C4' energy: -94.765 flat angles P-C4'-P energy: -55.179 tors. eta vs tors. theta energy: -56.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1063.965683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.965683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.965683 (E_RNA) where: Base-Base interactions energy: -646.663 where: short stacking energy: -309.912 Base-Backbone interact. energy: -1.657 local terms energy: -415.644978 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -90.457 flat angles C4'-P-C4' energy: -104.384 flat angles P-C4'-P energy: -52.944 tors. eta vs tors. theta energy: -67.778 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: 8, replica: 10 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -904.859478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.859478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.859478 (E_RNA) where: Base-Base interactions energy: -512.149 where: short stacking energy: -267.132 Base-Backbone interact. energy: 1.917 local terms energy: -394.627467 where: bonds (distance) C4'-P energy: -100.777 bonds (distance) P-C4' energy: -97.893 flat angles C4'-P-C4' energy: -101.021 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -45.659 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: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -696.478055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.478055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.478055 (E_RNA) where: Base-Base interactions energy: -381.767 where: short stacking energy: -218.336 Base-Backbone interact. energy: -1.932 local terms energy: -312.778484 where: bonds (distance) C4'-P energy: -93.488 bonds (distance) P-C4' energy: -81.404 flat angles C4'-P-C4' energy: -80.297 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: -12.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -432.081861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.081861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.081861 (E_RNA) where: Base-Base interactions energy: -143.529 where: short stacking energy: -114.642 Base-Backbone interact. energy: -1.254 local terms energy: -287.299416 where: bonds (distance) C4'-P energy: -85.659 bonds (distance) P-C4' energy: -94.272 flat angles C4'-P-C4' energy: -83.501 flat angles P-C4'-P energy: -41.740 tors. eta vs tors. theta energy: 17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1791.128155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.128155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.128155 (E_RNA) where: Base-Base interactions energy: -1198.778 where: short stacking energy: -556.963 Base-Backbone interact. energy: -1.899 local terms energy: -590.451189 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -111.514 flat angles C4'-P-C4' energy: -132.823 flat angles P-C4'-P energy: -77.986 tors. eta vs tors. theta energy: -158.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1745.384852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.384852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.384852 (E_RNA) where: Base-Base interactions energy: -1194.736 where: short stacking energy: -530.731 Base-Backbone interact. energy: -2.116 local terms energy: -548.533092 where: bonds (distance) C4'-P energy: -97.226 bonds (distance) P-C4' energy: -102.646 flat angles C4'-P-C4' energy: -113.788 flat angles P-C4'-P energy: -83.503 tors. eta vs tors. theta energy: -151.370 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: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1578.962578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.962578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.962578 (E_RNA) where: Base-Base interactions energy: -1031.066 where: short stacking energy: -444.892 Base-Backbone interact. energy: -2.147 local terms energy: -545.749701 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -118.190 flat angles C4'-P-C4' energy: -119.702 flat angles P-C4'-P energy: -77.438 tors. eta vs tors. theta energy: -120.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1478.510833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.510833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.510833 (E_RNA) where: Base-Base interactions energy: -981.909 where: short stacking energy: -433.763 Base-Backbone interact. energy: 0.821 local terms energy: -497.423476 where: bonds (distance) C4'-P energy: -114.015 bonds (distance) P-C4' energy: -97.311 flat angles C4'-P-C4' energy: -119.408 flat angles P-C4'-P energy: -56.154 tors. eta vs tors. theta energy: -110.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1402.215975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.215975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.215975 (E_RNA) where: Base-Base interactions energy: -928.997 where: short stacking energy: -425.837 Base-Backbone interact. energy: 1.557 local terms energy: -474.776275 where: bonds (distance) C4'-P energy: -93.816 bonds (distance) P-C4' energy: -81.702 flat angles C4'-P-C4' energy: -117.552 flat angles P-C4'-P energy: -65.883 tors. eta vs tors. theta energy: -115.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1062.104877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.104877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.104877 (E_RNA) where: Base-Base interactions energy: -672.885 where: short stacking energy: -324.192 Base-Backbone interact. energy: 5.244 local terms energy: -394.463718 where: bonds (distance) C4'-P energy: -83.576 bonds (distance) P-C4' energy: -91.925 flat angles C4'-P-C4' energy: -92.395 flat angles P-C4'-P energy: -71.600 tors. eta vs tors. theta energy: -54.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -891.084171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.084171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.084171 (E_RNA) where: Base-Base interactions energy: -536.923 where: short stacking energy: -272.946 Base-Backbone interact. energy: -0.054 local terms energy: -354.106916 where: bonds (distance) C4'-P energy: -86.836 bonds (distance) P-C4' energy: -90.305 flat angles C4'-P-C4' energy: -97.790 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -37.420 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: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -936.359410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.359410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.359410 (E_RNA) where: Base-Base interactions energy: -545.185 where: short stacking energy: -295.389 Base-Backbone interact. energy: -1.879 local terms energy: -389.295980 where: bonds (distance) C4'-P energy: -85.926 bonds (distance) P-C4' energy: -88.278 flat angles C4'-P-C4' energy: -91.850 flat angles P-C4'-P energy: -67.162 tors. eta vs tors. theta energy: -56.080 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: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -689.924481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.924481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.924481 (E_RNA) where: Base-Base interactions energy: -348.803 where: short stacking energy: -195.779 Base-Backbone interact. energy: -2.464 local terms energy: -338.658056 where: bonds (distance) C4'-P energy: -81.391 bonds (distance) P-C4' energy: -106.804 flat angles C4'-P-C4' energy: -87.336 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: -23.069 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: 472 Temperature: 1.350000 Total energy: -437.857030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.857030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.857030 (E_RNA) where: Base-Base interactions energy: -167.381 where: short stacking energy: -131.107 Base-Backbone interact. energy: -1.825 local terms energy: -268.650623 where: bonds (distance) C4'-P energy: -67.448 bonds (distance) P-C4' energy: -114.075 flat angles C4'-P-C4' energy: -59.032 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: 13.211 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: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1781.892595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.892595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.892595 (E_RNA) where: Base-Base interactions energy: -1182.243 where: short stacking energy: -543.944 Base-Backbone interact. energy: -2.048 local terms energy: -597.602256 where: bonds (distance) C4'-P energy: -107.307 bonds (distance) P-C4' energy: -110.309 flat angles C4'-P-C4' energy: -113.665 flat angles P-C4'-P energy: -94.819 tors. eta vs tors. theta energy: -171.502 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: 473 Temperature: 0.950000 Total energy: -1715.386003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.386003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.386003 (E_RNA) where: Base-Base interactions energy: -1190.497 where: short stacking energy: -501.977 Base-Backbone interact. energy: -1.355 local terms energy: -523.533967 where: bonds (distance) C4'-P energy: -103.187 bonds (distance) P-C4' energy: -96.458 flat angles C4'-P-C4' energy: -111.035 flat angles P-C4'-P energy: -67.299 tors. eta vs tors. theta energy: -145.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1576.589759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.589759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.589759 (E_RNA) where: Base-Base interactions energy: -1071.530 where: short stacking energy: -473.548 Base-Backbone interact. energy: -1.996 local terms energy: -503.063698 where: bonds (distance) C4'-P energy: -89.307 bonds (distance) P-C4' energy: -112.320 flat angles C4'-P-C4' energy: -108.655 flat angles P-C4'-P energy: -70.249 tors. eta vs tors. theta energy: -122.533 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: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1480.051180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.051180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.051180 (E_RNA) where: Base-Base interactions energy: -964.114 where: short stacking energy: -442.328 Base-Backbone interact. energy: -3.235 local terms energy: -512.702595 where: bonds (distance) C4'-P energy: -103.533 bonds (distance) P-C4' energy: -92.895 flat angles C4'-P-C4' energy: -112.117 flat angles P-C4'-P energy: -84.112 tors. eta vs tors. theta energy: -120.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1380.340432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.340432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.340432 (E_RNA) where: Base-Base interactions energy: -902.616 where: short stacking energy: -418.957 Base-Backbone interact. energy: 0.516 local terms energy: -478.240048 where: bonds (distance) C4'-P energy: -106.533 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -118.894 flat angles P-C4'-P energy: -61.315 tors. eta vs tors. theta energy: -107.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1107.706937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.706937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.706937 (E_RNA) where: Base-Base interactions energy: -692.312 where: short stacking energy: -338.097 Base-Backbone interact. energy: -0.207 local terms energy: -415.188038 where: bonds (distance) C4'-P energy: -101.600 bonds (distance) P-C4' energy: -91.768 flat angles C4'-P-C4' energy: -97.700 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -66.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -917.249370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.249370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.249370 (E_RNA) where: Base-Base interactions energy: -550.909 where: short stacking energy: -284.961 Base-Backbone interact. energy: 0.807 local terms energy: -367.147620 where: bonds (distance) C4'-P energy: -78.236 bonds (distance) P-C4' energy: -100.605 flat angles C4'-P-C4' energy: -96.374 flat angles P-C4'-P energy: -56.915 tors. eta vs tors. theta energy: -35.018 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: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -958.564824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.564824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.564824 (E_RNA) where: Base-Base interactions energy: -566.899 where: short stacking energy: -275.980 Base-Backbone interact. energy: -1.933 local terms energy: -389.732617 where: bonds (distance) C4'-P energy: -85.441 bonds (distance) P-C4' energy: -106.567 flat angles C4'-P-C4' energy: -86.552 flat angles P-C4'-P energy: -49.179 tors. eta vs tors. theta energy: -61.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -668.373829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.373829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.373829 (E_RNA) where: Base-Base interactions energy: -319.022 where: short stacking energy: -181.961 Base-Backbone interact. energy: 3.336 local terms energy: -352.688358 where: bonds (distance) C4'-P energy: -100.567 bonds (distance) P-C4' energy: -106.841 flat angles C4'-P-C4' energy: -96.100 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: -4.994 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: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -463.633435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.633435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.633435 (E_RNA) where: Base-Base interactions energy: -156.331 where: short stacking energy: -107.897 Base-Backbone interact. energy: 1.440 local terms energy: -308.742145 where: bonds (distance) C4'-P energy: -97.922 bonds (distance) P-C4' energy: -98.922 flat angles C4'-P-C4' energy: -86.896 flat angles P-C4'-P energy: -40.401 tors. eta vs tors. theta energy: 15.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1780.613726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.613726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.613726 (E_RNA) where: Base-Base interactions energy: -1189.981 where: short stacking energy: -541.676 Base-Backbone interact. energy: -0.510 local terms energy: -590.122816 where: bonds (distance) C4'-P energy: -107.133 bonds (distance) P-C4' energy: -116.323 flat angles C4'-P-C4' energy: -128.290 flat angles P-C4'-P energy: -85.246 tors. eta vs tors. theta energy: -153.130 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: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1734.643780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.643780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.643780 (E_RNA) where: Base-Base interactions energy: -1170.531 where: short stacking energy: -526.182 Base-Backbone interact. energy: -0.350 local terms energy: -563.762842 where: bonds (distance) C4'-P energy: -101.749 bonds (distance) P-C4' energy: -106.366 flat angles C4'-P-C4' energy: -123.742 flat angles P-C4'-P energy: -83.377 tors. eta vs tors. theta energy: -148.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1518.973950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.973950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.973950 (E_RNA) where: Base-Base interactions energy: -1006.063 where: short stacking energy: -454.014 Base-Backbone interact. energy: -2.518 local terms energy: -510.392919 where: bonds (distance) C4'-P energy: -96.749 bonds (distance) P-C4' energy: -111.674 flat angles C4'-P-C4' energy: -102.248 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -119.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1499.218481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.218481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.218481 (E_RNA) where: Base-Base interactions energy: -1007.715 where: short stacking energy: -433.558 Base-Backbone interact. energy: -3.675 local terms energy: -487.828108 where: bonds (distance) C4'-P energy: -87.090 bonds (distance) P-C4' energy: -96.439 flat angles C4'-P-C4' energy: -122.513 flat angles P-C4'-P energy: -69.699 tors. eta vs tors. theta energy: -112.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1388.999210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.999210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.999210 (E_RNA) where: Base-Base interactions energy: -906.215 where: short stacking energy: -411.125 Base-Backbone interact. energy: -0.956 local terms energy: -481.827722 where: bonds (distance) C4'-P energy: -85.939 bonds (distance) P-C4' energy: -104.001 flat angles C4'-P-C4' energy: -111.838 flat angles P-C4'-P energy: -66.595 tors. eta vs tors. theta energy: -113.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1125.059611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.059611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.059611 (E_RNA) where: Base-Base interactions energy: -692.757 where: short stacking energy: -313.743 Base-Backbone interact. energy: -4.148 local terms energy: -428.154955 where: bonds (distance) C4'-P energy: -101.812 bonds (distance) P-C4' energy: -95.690 flat angles C4'-P-C4' energy: -100.812 flat angles P-C4'-P energy: -61.289 tors. eta vs tors. theta energy: -68.551 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: 474 Temperature: 1.200000 Total energy: -949.653716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.653716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.653716 (E_RNA) where: Base-Base interactions energy: -568.952 where: short stacking energy: -265.317 Base-Backbone interact. energy: -0.800 local terms energy: -379.902167 where: bonds (distance) C4'-P energy: -96.686 bonds (distance) P-C4' energy: -89.712 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -45.132 tors. eta vs tors. theta energy: -57.271 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: 474 Temperature: 1.250000 Total energy: -860.106405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.106405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.106405 (E_RNA) where: Base-Base interactions energy: -468.966 where: short stacking energy: -239.877 Base-Backbone interact. energy: -0.666 local terms energy: -390.474660 where: bonds (distance) C4'-P energy: -101.135 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -101.169 flat angles P-C4'-P energy: -60.506 tors. eta vs tors. theta energy: -35.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -666.737404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.737404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.737404 (E_RNA) where: Base-Base interactions energy: -350.783 where: short stacking energy: -198.768 Base-Backbone interact. energy: 0.189 local terms energy: -316.143205 where: bonds (distance) C4'-P energy: -95.566 bonds (distance) P-C4' energy: -111.835 flat angles C4'-P-C4' energy: -45.736 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -5.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -463.757615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.757615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.757615 (E_RNA) where: Base-Base interactions energy: -179.061 where: short stacking energy: -157.924 Base-Backbone interact. energy: 0.068 local terms energy: -284.764554 where: bonds (distance) C4'-P energy: -71.448 bonds (distance) P-C4' energy: -101.340 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -51.932 tors. eta vs tors. theta energy: 10.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1779.783322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.783322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.783322 (E_RNA) where: Base-Base interactions energy: -1203.778 where: short stacking energy: -533.645 Base-Backbone interact. energy: -2.769 local terms energy: -573.235948 where: bonds (distance) C4'-P energy: -92.566 bonds (distance) P-C4' energy: -108.257 flat angles C4'-P-C4' energy: -129.371 flat angles P-C4'-P energy: -86.025 tors. eta vs tors. theta energy: -157.017 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: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1726.247935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.247935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.247935 (E_RNA) where: Base-Base interactions energy: -1164.282 where: short stacking energy: -514.513 Base-Backbone interact. energy: -2.507 local terms energy: -559.459147 where: bonds (distance) C4'-P energy: -117.088 bonds (distance) P-C4' energy: -91.781 flat angles C4'-P-C4' energy: -118.419 flat angles P-C4'-P energy: -68.621 tors. eta vs tors. theta energy: -163.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1563.568386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.568386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.568386 (E_RNA) where: Base-Base interactions energy: -1037.183 where: short stacking energy: -475.332 Base-Backbone interact. energy: -3.828 local terms energy: -522.557490 where: bonds (distance) C4'-P energy: -97.094 bonds (distance) P-C4' energy: -105.994 flat angles C4'-P-C4' energy: -121.363 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: -128.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1518.375467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.375467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.375467 (E_RNA) where: Base-Base interactions energy: -1009.717 where: short stacking energy: -438.595 Base-Backbone interact. energy: -6.479 local terms energy: -502.179696 where: bonds (distance) C4'-P energy: -100.935 bonds (distance) P-C4' energy: -103.705 flat angles C4'-P-C4' energy: -113.953 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: -114.334 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: 475 Temperature: 1.100000 Total energy: -1375.535148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.535148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.535148 (E_RNA) where: Base-Base interactions energy: -907.765 where: short stacking energy: -419.952 Base-Backbone interact. energy: -0.208 local terms energy: -467.562040 where: bonds (distance) C4'-P energy: -96.189 bonds (distance) P-C4' energy: -98.839 flat angles C4'-P-C4' energy: -104.503 flat angles P-C4'-P energy: -72.108 tors. eta vs tors. theta energy: -95.922 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: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1138.805852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.805852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.805852 (E_RNA) where: Base-Base interactions energy: -709.667 where: short stacking energy: -324.400 Base-Backbone interact. energy: 2.130 local terms energy: -431.269047 where: bonds (distance) C4'-P energy: -97.493 bonds (distance) P-C4' energy: -101.886 flat angles C4'-P-C4' energy: -97.664 flat angles P-C4'-P energy: -61.444 tors. eta vs tors. theta energy: -72.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -998.756895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.756895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.756895 (E_RNA) where: Base-Base interactions energy: -614.762 where: short stacking energy: -293.331 Base-Backbone interact. energy: 2.091 local terms energy: -386.086110 where: bonds (distance) C4'-P energy: -98.834 bonds (distance) P-C4' energy: -96.469 flat angles C4'-P-C4' energy: -78.354 flat angles P-C4'-P energy: -54.109 tors. eta vs tors. theta energy: -58.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -823.018102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.018102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.018102 (E_RNA) where: Base-Base interactions energy: -486.529 where: short stacking energy: -215.419 Base-Backbone interact. energy: -1.840 local terms energy: -334.649023 where: bonds (distance) C4'-P energy: -94.879 bonds (distance) P-C4' energy: -101.911 flat angles C4'-P-C4' energy: -68.776 flat angles P-C4'-P energy: -51.797 tors. eta vs tors. theta energy: -17.287 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: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -689.580008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.580008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.580008 (E_RNA) where: Base-Base interactions energy: -351.067 where: short stacking energy: -217.925 Base-Backbone interact. energy: -3.717 local terms energy: -334.796517 where: bonds (distance) C4'-P energy: -87.121 bonds (distance) P-C4' energy: -97.248 flat angles C4'-P-C4' energy: -84.612 flat angles P-C4'-P energy: -42.690 tors. eta vs tors. theta energy: -23.125 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: 10, replica: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -439.453390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.453390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.453390 (E_RNA) where: Base-Base interactions energy: -136.729 where: short stacking energy: -131.327 Base-Backbone interact. energy: -1.153 local terms energy: -301.571471 where: bonds (distance) C4'-P energy: -75.911 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -87.787 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1782.004608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.004608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.004608 (E_RNA) where: Base-Base interactions energy: -1197.106 where: short stacking energy: -541.433 Base-Backbone interact. energy: -2.532 local terms energy: -582.366503 where: bonds (distance) C4'-P energy: -106.426 bonds (distance) P-C4' energy: -107.236 flat angles C4'-P-C4' energy: -115.827 flat angles P-C4'-P energy: -90.415 tors. eta vs tors. theta energy: -162.463 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: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1704.257924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.257924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.257924 (E_RNA) where: Base-Base interactions energy: -1165.494 where: short stacking energy: -511.186 Base-Backbone interact. energy: 1.383 local terms energy: -540.146574 where: bonds (distance) C4'-P energy: -103.828 bonds (distance) P-C4' energy: -113.158 flat angles C4'-P-C4' energy: -119.064 flat angles P-C4'-P energy: -65.803 tors. eta vs tors. theta energy: -138.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1562.186879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.186879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.186879 (E_RNA) where: Base-Base interactions energy: -1048.089 where: short stacking energy: -427.855 Base-Backbone interact. energy: -5.139 local terms energy: -508.958568 where: bonds (distance) C4'-P energy: -104.947 bonds (distance) P-C4' energy: -107.843 flat angles C4'-P-C4' energy: -116.768 flat angles P-C4'-P energy: -55.487 tors. eta vs tors. theta energy: -123.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1523.152915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.152915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.152915 (E_RNA) where: Base-Base interactions energy: -1041.103 where: short stacking energy: -457.913 Base-Backbone interact. energy: -1.075 local terms energy: -480.974832 where: bonds (distance) C4'-P energy: -98.221 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -63.739 tors. eta vs tors. theta energy: -122.574 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: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1376.377800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.377800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.377800 (E_RNA) where: Base-Base interactions energy: -898.432 where: short stacking energy: -419.722 Base-Backbone interact. energy: -3.584 local terms energy: -474.362333 where: bonds (distance) C4'-P energy: -94.800 bonds (distance) P-C4' energy: -92.022 flat angles C4'-P-C4' energy: -110.878 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -110.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1164.164677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.164677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.164677 (E_RNA) where: Base-Base interactions energy: -746.958 where: short stacking energy: -331.645 Base-Backbone interact. energy: -2.619 local terms energy: -414.587385 where: bonds (distance) C4'-P energy: -87.069 bonds (distance) P-C4' energy: -93.871 flat angles C4'-P-C4' energy: -106.207 flat angles P-C4'-P energy: -67.935 tors. eta vs tors. theta energy: -59.506 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: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1002.575322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.575322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.575322 (E_RNA) where: Base-Base interactions energy: -617.235 where: short stacking energy: -303.643 Base-Backbone interact. energy: -2.225 local terms energy: -383.115510 where: bonds (distance) C4'-P energy: -80.583 bonds (distance) P-C4' energy: -81.120 flat angles C4'-P-C4' energy: -91.352 flat angles P-C4'-P energy: -72.232 tors. eta vs tors. theta energy: -57.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -868.394300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.394300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.394300 (E_RNA) where: Base-Base interactions energy: -489.005 where: short stacking energy: -248.183 Base-Backbone interact. energy: 2.094 local terms energy: -381.484102 where: bonds (distance) C4'-P energy: -95.694 bonds (distance) P-C4' energy: -75.576 flat angles C4'-P-C4' energy: -104.312 flat angles P-C4'-P energy: -64.007 tors. eta vs tors. theta energy: -41.895 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: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -683.600973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.600973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.600973 (E_RNA) where: Base-Base interactions energy: -333.574 where: short stacking energy: -192.177 Base-Backbone interact. energy: -2.597 local terms energy: -347.429786 where: bonds (distance) C4'-P energy: -89.982 bonds (distance) P-C4' energy: -100.249 flat angles C4'-P-C4' energy: -80.418 flat angles P-C4'-P energy: -51.585 tors. eta vs tors. theta energy: -25.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -435.208051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.208051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.208051 (E_RNA) where: Base-Base interactions energy: -164.945 where: short stacking energy: -120.983 Base-Backbone interact. energy: 4.260 local terms energy: -274.523409 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -71.781 flat angles C4'-P-C4' energy: -84.409 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: 22.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1778.626540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.626540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.626540 (E_RNA) where: Base-Base interactions energy: -1198.666 where: short stacking energy: -556.465 Base-Backbone interact. energy: -1.700 local terms energy: -578.260524 where: bonds (distance) C4'-P energy: -102.557 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -113.803 flat angles P-C4'-P energy: -74.064 tors. eta vs tors. theta energy: -169.347 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: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1750.235780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.235780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.235780 (E_RNA) where: Base-Base interactions energy: -1205.334 where: short stacking energy: -559.871 Base-Backbone interact. energy: -0.342 local terms energy: -544.560058 where: bonds (distance) C4'-P energy: -97.934 bonds (distance) P-C4' energy: -107.392 flat angles C4'-P-C4' energy: -110.799 flat angles P-C4'-P energy: -74.320 tors. eta vs tors. theta energy: -154.115 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: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1643.128716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.128716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.128716 (E_RNA) where: Base-Base interactions energy: -1106.925 where: short stacking energy: -490.092 Base-Backbone interact. energy: 0.109 local terms energy: -536.312553 where: bonds (distance) C4'-P energy: -112.761 bonds (distance) P-C4' energy: -114.046 flat angles C4'-P-C4' energy: -109.854 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -120.861 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: 3 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1493.048548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.048548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.048548 (E_RNA) where: Base-Base interactions energy: -1004.343 where: short stacking energy: -446.512 Base-Backbone interact. energy: -2.250 local terms energy: -486.455360 where: bonds (distance) C4'-P energy: -90.252 bonds (distance) P-C4' energy: -94.441 flat angles C4'-P-C4' energy: -110.132 flat angles P-C4'-P energy: -76.080 tors. eta vs tors. theta energy: -115.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1361.261780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.261780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.261780 (E_RNA) where: Base-Base interactions energy: -868.619 where: short stacking energy: -401.472 Base-Backbone interact. energy: -0.801 local terms energy: -491.841259 where: bonds (distance) C4'-P energy: -92.507 bonds (distance) P-C4' energy: -115.089 flat angles C4'-P-C4' energy: -110.540 flat angles P-C4'-P energy: -65.450 tors. eta vs tors. theta energy: -108.255 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: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1137.704357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.704357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.704357 (E_RNA) where: Base-Base interactions energy: -740.638 where: short stacking energy: -349.622 Base-Backbone interact. energy: -1.647 local terms energy: -395.419394 where: bonds (distance) C4'-P energy: -98.597 bonds (distance) P-C4' energy: -99.978 flat angles C4'-P-C4' energy: -80.949 flat angles P-C4'-P energy: -56.389 tors. eta vs tors. theta energy: -59.506 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: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -998.890397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.890397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.890397 (E_RNA) where: Base-Base interactions energy: -586.377 where: short stacking energy: -277.353 Base-Backbone interact. energy: 6.651 local terms energy: -419.164300 where: bonds (distance) C4'-P energy: -104.799 bonds (distance) P-C4' energy: -92.422 flat angles C4'-P-C4' energy: -106.461 flat angles P-C4'-P energy: -57.872 tors. eta vs tors. theta energy: -57.610 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: 10 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -831.970533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.970533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.970533 (E_RNA) where: Base-Base interactions energy: -462.825 where: short stacking energy: -241.706 Base-Backbone interact. energy: 2.528 local terms energy: -371.674088 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -101.380 flat angles C4'-P-C4' energy: -98.267 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -45.661 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: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -676.118308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.118308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.118308 (E_RNA) where: Base-Base interactions energy: -349.241 where: short stacking energy: -177.701 Base-Backbone interact. energy: -2.192 local terms energy: -324.684712 where: bonds (distance) C4'-P energy: -98.050 bonds (distance) P-C4' energy: -94.356 flat angles C4'-P-C4' energy: -67.168 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -0.588 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: 477 Temperature: 1.350000 Total energy: -455.363007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.363007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.363007 (E_RNA) where: Base-Base interactions energy: -175.487 where: short stacking energy: -150.278 Base-Backbone interact. energy: -0.257 local terms energy: -279.618798 where: bonds (distance) C4'-P energy: -87.965 bonds (distance) P-C4' energy: -95.729 flat angles C4'-P-C4' energy: -75.612 flat angles P-C4'-P energy: -30.814 tors. eta vs tors. theta energy: 10.502 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: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1791.176794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.176794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.176794 (E_RNA) where: Base-Base interactions energy: -1182.942 where: short stacking energy: -554.655 Base-Backbone interact. energy: -2.947 local terms energy: -605.287801 where: bonds (distance) C4'-P energy: -112.327 bonds (distance) P-C4' energy: -103.057 flat angles C4'-P-C4' energy: -129.500 flat angles P-C4'-P energy: -89.009 tors. eta vs tors. theta energy: -171.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1724.867682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.867682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.867682 (E_RNA) where: Base-Base interactions energy: -1157.271 where: short stacking energy: -535.980 Base-Backbone interact. energy: 1.050 local terms energy: -568.646476 where: bonds (distance) C4'-P energy: -104.980 bonds (distance) P-C4' energy: -116.667 flat angles C4'-P-C4' energy: -121.025 flat angles P-C4'-P energy: -68.772 tors. eta vs tors. theta energy: -157.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1584.875805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.875805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.875805 (E_RNA) where: Base-Base interactions energy: -1058.255 where: short stacking energy: -434.380 Base-Backbone interact. energy: -1.953 local terms energy: -524.667901 where: bonds (distance) C4'-P energy: -106.474 bonds (distance) P-C4' energy: -91.579 flat angles C4'-P-C4' energy: -118.602 flat angles P-C4'-P energy: -72.649 tors. eta vs tors. theta energy: -135.365 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: 4, replica: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1466.454629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.454629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.454629 (E_RNA) where: Base-Base interactions energy: -958.516 where: short stacking energy: -441.134 Base-Backbone interact. energy: 4.398 local terms energy: -512.336769 where: bonds (distance) C4'-P energy: -94.958 bonds (distance) P-C4' energy: -109.660 flat angles C4'-P-C4' energy: -120.737 flat angles P-C4'-P energy: -71.730 tors. eta vs tors. theta energy: -115.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1410.965482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.965482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.965482 (E_RNA) where: Base-Base interactions energy: -918.699 where: short stacking energy: -438.660 Base-Backbone interact. energy: -1.936 local terms energy: -490.330364 where: bonds (distance) C4'-P energy: -97.567 bonds (distance) P-C4' energy: -104.417 flat angles C4'-P-C4' energy: -110.005 flat angles P-C4'-P energy: -61.700 tors. eta vs tors. theta energy: -116.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1101.266438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.266438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.266438 (E_RNA) where: Base-Base interactions energy: -670.762 where: short stacking energy: -336.845 Base-Backbone interact. energy: 0.446 local terms energy: -430.950054 where: bonds (distance) C4'-P energy: -110.770 bonds (distance) P-C4' energy: -100.694 flat angles C4'-P-C4' energy: -88.260 flat angles P-C4'-P energy: -52.156 tors. eta vs tors. theta energy: -79.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1001.913901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.913901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.913901 (E_RNA) where: Base-Base interactions energy: -623.499 where: short stacking energy: -304.264 Base-Backbone interact. energy: -0.945 local terms energy: -377.469721 where: bonds (distance) C4'-P energy: -82.979 bonds (distance) P-C4' energy: -82.498 flat angles C4'-P-C4' energy: -90.761 flat angles P-C4'-P energy: -64.664 tors. eta vs tors. theta energy: -56.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -784.121329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.121329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.121329 (E_RNA) where: Base-Base interactions energy: -456.663 where: short stacking energy: -207.616 Base-Backbone interact. energy: 0.396 local terms energy: -327.855079 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -92.202 flat angles C4'-P-C4' energy: -87.650 flat angles P-C4'-P energy: -50.343 tors. eta vs tors. theta energy: -18.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -657.824220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.824220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.824220 (E_RNA) where: Base-Base interactions energy: -335.394 where: short stacking energy: -188.921 Base-Backbone interact. energy: -1.397 local terms energy: -321.033176 where: bonds (distance) C4'-P energy: -87.148 bonds (distance) P-C4' energy: -88.030 flat angles C4'-P-C4' energy: -77.555 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: -21.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -445.352060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.352060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.352060 (E_RNA) where: Base-Base interactions energy: -166.576 where: short stacking energy: -144.115 Base-Backbone interact. energy: 0.786 local terms energy: -279.561484 where: bonds (distance) C4'-P energy: -70.664 bonds (distance) P-C4' energy: -83.314 flat angles C4'-P-C4' energy: -95.131 flat angles P-C4'-P energy: -36.703 tors. eta vs tors. theta energy: 6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1800.552388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.552388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.552388 (E_RNA) where: Base-Base interactions energy: -1188.296 where: short stacking energy: -540.355 Base-Backbone interact. energy: -3.223 local terms energy: -609.033869 where: bonds (distance) C4'-P energy: -124.068 bonds (distance) P-C4' energy: -117.991 flat angles C4'-P-C4' energy: -118.604 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -171.245 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: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1725.404603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.404603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.404603 (E_RNA) where: Base-Base interactions energy: -1155.910 where: short stacking energy: -516.988 Base-Backbone interact. energy: 2.191 local terms energy: -571.684858 where: bonds (distance) C4'-P energy: -114.876 bonds (distance) P-C4' energy: -114.304 flat angles C4'-P-C4' energy: -117.266 flat angles P-C4'-P energy: -78.466 tors. eta vs tors. theta energy: -146.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1604.785645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.785645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.785645 (E_RNA) where: Base-Base interactions energy: -1061.764 where: short stacking energy: -458.502 Base-Backbone interact. energy: -3.987 local terms energy: -539.034911 where: bonds (distance) C4'-P energy: -106.212 bonds (distance) P-C4' energy: -101.657 flat angles C4'-P-C4' energy: -124.533 flat angles P-C4'-P energy: -83.512 tors. eta vs tors. theta energy: -123.121 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: 3 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1481.068582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.068582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.068582 (E_RNA) where: Base-Base interactions energy: -991.214 where: short stacking energy: -420.655 Base-Backbone interact. energy: 1.575 local terms energy: -491.429166 where: bonds (distance) C4'-P energy: -88.983 bonds (distance) P-C4' energy: -114.906 flat angles C4'-P-C4' energy: -104.241 flat angles P-C4'-P energy: -76.360 tors. eta vs tors. theta energy: -106.939 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: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1331.923316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.923316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.923316 (E_RNA) where: Base-Base interactions energy: -837.316 where: short stacking energy: -401.377 Base-Backbone interact. energy: -1.024 local terms energy: -493.583300 where: bonds (distance) C4'-P energy: -103.378 bonds (distance) P-C4' energy: -102.185 flat angles C4'-P-C4' energy: -110.516 flat angles P-C4'-P energy: -76.596 tors. eta vs tors. theta energy: -100.909 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: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1144.976336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.976336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.976336 (E_RNA) where: Base-Base interactions energy: -731.374 where: short stacking energy: -352.742 Base-Backbone interact. energy: -1.379 local terms energy: -412.223920 where: bonds (distance) C4'-P energy: -99.821 bonds (distance) P-C4' energy: -96.800 flat angles C4'-P-C4' energy: -83.636 flat angles P-C4'-P energy: -58.271 tors. eta vs tors. theta energy: -73.697 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: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1003.744296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.744296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.744296 (E_RNA) where: Base-Base interactions energy: -620.837 where: short stacking energy: -276.952 Base-Backbone interact. energy: 2.580 local terms energy: -385.486518 where: bonds (distance) C4'-P energy: -84.189 bonds (distance) P-C4' energy: -96.600 flat angles C4'-P-C4' energy: -96.323 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: -45.403 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: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -839.329865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.329865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.329865 (E_RNA) where: Base-Base interactions energy: -507.443 where: short stacking energy: -247.022 Base-Backbone interact. energy: -3.332 local terms energy: -328.554693 where: bonds (distance) C4'-P energy: -81.412 bonds (distance) P-C4' energy: -86.991 flat angles C4'-P-C4' energy: -91.325 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: -27.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -687.026362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.026362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.026362 (E_RNA) where: Base-Base interactions energy: -348.805 where: short stacking energy: -177.160 Base-Backbone interact. energy: -1.642 local terms energy: -336.579559 where: bonds (distance) C4'-P energy: -98.202 bonds (distance) P-C4' energy: -101.562 flat angles C4'-P-C4' energy: -78.298 flat angles P-C4'-P energy: -49.999 tors. eta vs tors. theta energy: -8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -450.461591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.461591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.461591 (E_RNA) where: Base-Base interactions energy: -172.516 where: short stacking energy: -139.294 Base-Backbone interact. energy: 1.696 local terms energy: -279.642090 where: bonds (distance) C4'-P energy: -93.716 bonds (distance) P-C4' energy: -90.340 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -37.709 tors. eta vs tors. theta energy: 16.879 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: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1769.312947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.312947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.312947 (E_RNA) where: Base-Base interactions energy: -1169.694 where: short stacking energy: -538.268 Base-Backbone interact. energy: -3.718 local terms energy: -595.901598 where: bonds (distance) C4'-P energy: -114.563 bonds (distance) P-C4' energy: -112.649 flat angles C4'-P-C4' energy: -120.723 flat angles P-C4'-P energy: -87.221 tors. eta vs tors. theta energy: -160.746 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: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1724.311938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.311938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.311938 (E_RNA) where: Base-Base interactions energy: -1178.717 where: short stacking energy: -518.592 Base-Backbone interact. energy: 0.416 local terms energy: -546.011308 where: bonds (distance) C4'-P energy: -99.351 bonds (distance) P-C4' energy: -108.525 flat angles C4'-P-C4' energy: -123.920 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: -143.112 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: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1569.528831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.528831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.528831 (E_RNA) where: Base-Base interactions energy: -1047.591 where: short stacking energy: -459.914 Base-Backbone interact. energy: -1.467 local terms energy: -520.471305 where: bonds (distance) C4'-P energy: -98.380 bonds (distance) P-C4' energy: -110.066 flat angles C4'-P-C4' energy: -108.463 flat angles P-C4'-P energy: -79.671 tors. eta vs tors. theta energy: -123.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1449.986843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.986843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.986843 (E_RNA) where: Base-Base interactions energy: -960.068 where: short stacking energy: -429.781 Base-Backbone interact. energy: 0.262 local terms energy: -490.180541 where: bonds (distance) C4'-P energy: -88.566 bonds (distance) P-C4' energy: -101.620 flat angles C4'-P-C4' energy: -114.589 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -106.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1295.870419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.870419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.870419 (E_RNA) where: Base-Base interactions energy: -812.826 where: short stacking energy: -383.591 Base-Backbone interact. energy: -1.584 local terms energy: -481.460244 where: bonds (distance) C4'-P energy: -94.761 bonds (distance) P-C4' energy: -103.911 flat angles C4'-P-C4' energy: -112.063 flat angles P-C4'-P energy: -71.282 tors. eta vs tors. theta energy: -99.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1180.672202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.672202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.672202 (E_RNA) where: Base-Base interactions energy: -757.009 where: short stacking energy: -359.193 Base-Backbone interact. energy: -2.681 local terms energy: -420.982891 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -89.924 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -70.987 tors. eta vs tors. theta energy: -82.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -994.297468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.297468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.297468 (E_RNA) where: Base-Base interactions energy: -614.337 where: short stacking energy: -309.673 Base-Backbone interact. energy: -2.342 local terms energy: -377.618183 where: bonds (distance) C4'-P energy: -85.161 bonds (distance) P-C4' energy: -93.252 flat angles C4'-P-C4' energy: -90.702 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -50.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -864.849059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.849059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.849059 (E_RNA) where: Base-Base interactions energy: -526.665 where: short stacking energy: -251.949 Base-Backbone interact. energy: 5.443 local terms energy: -343.628004 where: bonds (distance) C4'-P energy: -81.083 bonds (distance) P-C4' energy: -85.055 flat angles C4'-P-C4' energy: -95.065 flat angles P-C4'-P energy: -48.289 tors. eta vs tors. theta energy: -34.136 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: 1 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -659.979596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.979596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.979596 (E_RNA) where: Base-Base interactions energy: -361.231 where: short stacking energy: -201.826 Base-Backbone interact. energy: -1.969 local terms energy: -296.779110 where: bonds (distance) C4'-P energy: -70.467 bonds (distance) P-C4' energy: -103.236 flat angles C4'-P-C4' energy: -77.118 flat angles P-C4'-P energy: -41.973 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -440.331149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.331149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.331149 (E_RNA) where: Base-Base interactions energy: -163.374 where: short stacking energy: -133.211 Base-Backbone interact. energy: 3.441 local terms energy: -280.398897 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -85.897 flat angles C4'-P-C4' energy: -58.783 flat angles P-C4'-P energy: -40.624 tors. eta vs tors. theta energy: 16.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1775.226180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.226180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.226180 (E_RNA) where: Base-Base interactions energy: -1163.989 where: short stacking energy: -528.508 Base-Backbone interact. energy: -2.529 local terms energy: -608.708194 where: bonds (distance) C4'-P energy: -110.347 bonds (distance) P-C4' energy: -117.284 flat angles C4'-P-C4' energy: -133.262 flat angles P-C4'-P energy: -91.770 tors. eta vs tors. theta energy: -156.044 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: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1749.635998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.635998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.635998 (E_RNA) where: Base-Base interactions energy: -1186.548 where: short stacking energy: -543.279 Base-Backbone interact. energy: -0.199 local terms energy: -562.889004 where: bonds (distance) C4'-P energy: -99.868 bonds (distance) P-C4' energy: -109.248 flat angles C4'-P-C4' energy: -124.962 flat angles P-C4'-P energy: -81.893 tors. eta vs tors. theta energy: -146.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1590.245793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.245793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.245793 (E_RNA) where: Base-Base interactions energy: -1062.253 where: short stacking energy: -486.111 Base-Backbone interact. energy: 0.963 local terms energy: -528.956111 where: bonds (distance) C4'-P energy: -104.987 bonds (distance) P-C4' energy: -105.080 flat angles C4'-P-C4' energy: -121.178 flat angles P-C4'-P energy: -54.674 tors. eta vs tors. theta energy: -143.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1483.212400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.212400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.212400 (E_RNA) where: Base-Base interactions energy: -1003.344 where: short stacking energy: -454.445 Base-Backbone interact. energy: -2.121 local terms energy: -477.747610 where: bonds (distance) C4'-P energy: -97.508 bonds (distance) P-C4' energy: -87.887 flat angles C4'-P-C4' energy: -117.668 flat angles P-C4'-P energy: -57.100 tors. eta vs tors. theta energy: -117.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1320.153581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.153581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.153581 (E_RNA) where: Base-Base interactions energy: -848.490 where: short stacking energy: -418.826 Base-Backbone interact. energy: 1.847 local terms energy: -473.510238 where: bonds (distance) C4'-P energy: -100.755 bonds (distance) P-C4' energy: -103.681 flat angles C4'-P-C4' energy: -106.795 flat angles P-C4'-P energy: -62.280 tors. eta vs tors. theta energy: -99.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1150.631326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.631326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.631326 (E_RNA) where: Base-Base interactions energy: -721.936 where: short stacking energy: -352.357 Base-Backbone interact. energy: -1.386 local terms energy: -427.309894 where: bonds (distance) C4'-P energy: -89.611 bonds (distance) P-C4' energy: -89.516 flat angles C4'-P-C4' energy: -102.781 flat angles P-C4'-P energy: -64.991 tors. eta vs tors. theta energy: -80.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1017.175523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.175523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.175523 (E_RNA) where: Base-Base interactions energy: -620.389 where: short stacking energy: -280.240 Base-Backbone interact. energy: 5.274 local terms energy: -402.060854 where: bonds (distance) C4'-P energy: -90.639 bonds (distance) P-C4' energy: -105.549 flat angles C4'-P-C4' energy: -103.064 flat angles P-C4'-P energy: -57.278 tors. eta vs tors. theta energy: -45.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -874.377518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.377518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.377518 (E_RNA) where: Base-Base interactions energy: -489.639 where: short stacking energy: -240.857 Base-Backbone interact. energy: -1.573 local terms energy: -383.165244 where: bonds (distance) C4'-P energy: -88.017 bonds (distance) P-C4' energy: -101.344 flat angles C4'-P-C4' energy: -97.510 flat angles P-C4'-P energy: -56.572 tors. eta vs tors. theta energy: -39.722 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: 9, replica: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -655.589665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.589665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.589665 (E_RNA) where: Base-Base interactions energy: -332.466 where: short stacking energy: -205.231 Base-Backbone interact. energy: 5.268 local terms energy: -328.392227 where: bonds (distance) C4'-P energy: -86.440 bonds (distance) P-C4' energy: -82.580 flat angles C4'-P-C4' energy: -73.623 flat angles P-C4'-P energy: -65.402 tors. eta vs tors. theta energy: -20.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -448.725861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.725861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.725861 (E_RNA) where: Base-Base interactions energy: -151.144 where: short stacking energy: -139.092 Base-Backbone interact. energy: 3.439 local terms energy: -301.021588 where: bonds (distance) C4'-P energy: -89.484 bonds (distance) P-C4' energy: -96.672 flat angles C4'-P-C4' energy: -74.907 flat angles P-C4'-P energy: -44.696 tors. eta vs tors. theta energy: 4.738 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: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1774.089743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.089743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.089743 (E_RNA) where: Base-Base interactions energy: -1175.572 where: short stacking energy: -556.665 Base-Backbone interact. energy: -2.684 local terms energy: -595.833605 where: bonds (distance) C4'-P energy: -112.007 bonds (distance) P-C4' energy: -111.277 flat angles C4'-P-C4' energy: -126.708 flat angles P-C4'-P energy: -72.199 tors. eta vs tors. theta energy: -173.642 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: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1724.755049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.755049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.755049 (E_RNA) where: Base-Base interactions energy: -1175.007 where: short stacking energy: -542.510 Base-Backbone interact. energy: 0.793 local terms energy: -550.540945 where: bonds (distance) C4'-P energy: -100.071 bonds (distance) P-C4' energy: -98.724 flat angles C4'-P-C4' energy: -116.979 flat angles P-C4'-P energy: -87.272 tors. eta vs tors. theta energy: -147.495 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: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1524.416765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.416765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.416765 (E_RNA) where: Base-Base interactions energy: -1028.417 where: short stacking energy: -453.988 Base-Backbone interact. energy: -0.104 local terms energy: -495.895064 where: bonds (distance) C4'-P energy: -103.127 bonds (distance) P-C4' energy: -103.095 flat angles C4'-P-C4' energy: -110.875 flat angles P-C4'-P energy: -70.867 tors. eta vs tors. theta energy: -107.931 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: 482 Temperature: 1.050000 Total energy: -1541.697303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.697303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.697303 (E_RNA) where: Base-Base interactions energy: -1024.536 where: short stacking energy: -458.143 Base-Backbone interact. energy: 0.463 local terms energy: -517.623925 where: bonds (distance) C4'-P energy: -98.203 bonds (distance) P-C4' energy: -104.668 flat angles C4'-P-C4' energy: -109.084 flat angles P-C4'-P energy: -82.058 tors. eta vs tors. theta energy: -123.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1378.047041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.047041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.047041 (E_RNA) where: Base-Base interactions energy: -893.226 where: short stacking energy: -428.974 Base-Backbone interact. energy: -3.922 local terms energy: -480.899880 where: bonds (distance) C4'-P energy: -86.555 bonds (distance) P-C4' energy: -100.592 flat angles C4'-P-C4' energy: -99.107 flat angles P-C4'-P energy: -70.262 tors. eta vs tors. theta energy: -124.384 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: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1133.199409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.199409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.199409 (E_RNA) where: Base-Base interactions energy: -698.933 where: short stacking energy: -333.738 Base-Backbone interact. energy: -0.598 local terms energy: -433.668735 where: bonds (distance) C4'-P energy: -94.547 bonds (distance) P-C4' energy: -99.862 flat angles C4'-P-C4' energy: -111.969 flat angles P-C4'-P energy: -61.390 tors. eta vs tors. theta energy: -65.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -976.388051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.388051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.388051 (E_RNA) where: Base-Base interactions energy: -549.960 where: short stacking energy: -260.402 Base-Backbone interact. energy: 0.831 local terms energy: -427.259789 where: bonds (distance) C4'-P energy: -103.903 bonds (distance) P-C4' energy: -114.536 flat angles C4'-P-C4' energy: -103.247 flat angles P-C4'-P energy: -56.157 tors. eta vs tors. theta energy: -49.417 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: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -864.250435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.250435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.250435 (E_RNA) where: Base-Base interactions energy: -503.484 where: short stacking energy: -252.742 Base-Backbone interact. energy: 1.700 local terms energy: -362.466074 where: bonds (distance) C4'-P energy: -64.171 bonds (distance) P-C4' energy: -111.052 flat angles C4'-P-C4' energy: -92.236 flat angles P-C4'-P energy: -49.520 tors. eta vs tors. theta energy: -45.486 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: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -659.973860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.973860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.973860 (E_RNA) where: Base-Base interactions energy: -361.371 where: short stacking energy: -222.544 Base-Backbone interact. energy: -1.096 local terms energy: -297.507243 where: bonds (distance) C4'-P energy: -69.646 bonds (distance) P-C4' energy: -80.915 flat angles C4'-P-C4' energy: -71.567 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: -19.155 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: 482 Temperature: 1.350000 Total energy: -434.294859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.294859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.294859 (E_RNA) where: Base-Base interactions energy: -136.783 where: short stacking energy: -112.252 Base-Backbone interact. energy: -1.295 local terms energy: -296.216837 where: bonds (distance) C4'-P energy: -100.437 bonds (distance) P-C4' energy: -96.967 flat angles C4'-P-C4' energy: -73.060 flat angles P-C4'-P energy: -44.335 tors. eta vs tors. theta energy: 18.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1765.026677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.026677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.026677 (E_RNA) where: Base-Base interactions energy: -1179.950 where: short stacking energy: -541.159 Base-Backbone interact. energy: -2.822 local terms energy: -582.254830 where: bonds (distance) C4'-P energy: -114.357 bonds (distance) P-C4' energy: -111.643 flat angles C4'-P-C4' energy: -120.539 flat angles P-C4'-P energy: -77.080 tors. eta vs tors. theta energy: -158.636 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: 2, replica: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1713.010799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.010799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.010799 (E_RNA) where: Base-Base interactions energy: -1158.512 where: short stacking energy: -542.141 Base-Backbone interact. energy: 0.723 local terms energy: -555.222388 where: bonds (distance) C4'-P energy: -104.296 bonds (distance) P-C4' energy: -99.550 flat angles C4'-P-C4' energy: -117.705 flat angles P-C4'-P energy: -84.128 tors. eta vs tors. theta energy: -149.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1569.860299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.860299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.860299 (E_RNA) where: Base-Base interactions energy: -1073.265 where: short stacking energy: -456.571 Base-Backbone interact. energy: -1.634 local terms energy: -494.961738 where: bonds (distance) C4'-P energy: -89.435 bonds (distance) P-C4' energy: -118.265 flat angles C4'-P-C4' energy: -106.566 flat angles P-C4'-P energy: -64.052 tors. eta vs tors. theta energy: -116.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1403.185996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.185996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.185996 (E_RNA) where: Base-Base interactions energy: -914.939 where: short stacking energy: -416.303 Base-Backbone interact. energy: -2.101 local terms energy: -486.146497 where: bonds (distance) C4'-P energy: -111.305 bonds (distance) P-C4' energy: -104.779 flat angles C4'-P-C4' energy: -104.427 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -104.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1411.530112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.530112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.530112 (E_RNA) where: Base-Base interactions energy: -941.926 where: short stacking energy: -419.447 Base-Backbone interact. energy: -2.049 local terms energy: -467.555170 where: bonds (distance) C4'-P energy: -83.528 bonds (distance) P-C4' energy: -95.656 flat angles C4'-P-C4' energy: -109.062 flat angles P-C4'-P energy: -66.715 tors. eta vs tors. theta energy: -112.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1152.362031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.362031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.362031 (E_RNA) where: Base-Base interactions energy: -708.758 where: short stacking energy: -358.382 Base-Backbone interact. energy: 1.529 local terms energy: -445.133073 where: bonds (distance) C4'-P energy: -81.610 bonds (distance) P-C4' energy: -97.349 flat angles C4'-P-C4' energy: -111.496 flat angles P-C4'-P energy: -62.051 tors. eta vs tors. theta energy: -92.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1001.175604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.175604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.175604 (E_RNA) where: Base-Base interactions energy: -602.092 where: short stacking energy: -303.310 Base-Backbone interact. energy: 2.240 local terms energy: -401.323663 where: bonds (distance) C4'-P energy: -92.566 bonds (distance) P-C4' energy: -85.602 flat angles C4'-P-C4' energy: -90.391 flat angles P-C4'-P energy: -71.934 tors. eta vs tors. theta energy: -60.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -862.789867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.789867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.789867 (E_RNA) where: Base-Base interactions energy: -508.716 where: short stacking energy: -236.284 Base-Backbone interact. energy: 1.575 local terms energy: -355.648565 where: bonds (distance) C4'-P energy: -93.936 bonds (distance) P-C4' energy: -89.416 flat angles C4'-P-C4' energy: -94.561 flat angles P-C4'-P energy: -59.177 tors. eta vs tors. theta energy: -18.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -670.341882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.341882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.341882 (E_RNA) where: Base-Base interactions energy: -348.344 where: short stacking energy: -178.477 Base-Backbone interact. energy: 2.475 local terms energy: -324.472180 where: bonds (distance) C4'-P energy: -104.582 bonds (distance) P-C4' energy: -77.022 flat angles C4'-P-C4' energy: -87.352 flat angles P-C4'-P energy: -37.941 tors. eta vs tors. theta energy: -17.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -449.303414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.303414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.303414 (E_RNA) where: Base-Base interactions energy: -153.030 where: short stacking energy: -122.484 Base-Backbone interact. energy: -1.945 local terms energy: -294.328391 where: bonds (distance) C4'-P energy: -76.118 bonds (distance) P-C4' energy: -95.425 flat angles C4'-P-C4' energy: -93.142 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: 13.150 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: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1787.812416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.812416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.812416 (E_RNA) where: Base-Base interactions energy: -1208.635 where: short stacking energy: -545.609 Base-Backbone interact. energy: 2.841 local terms energy: -582.019351 where: bonds (distance) C4'-P energy: -114.822 bonds (distance) P-C4' energy: -100.244 flat angles C4'-P-C4' energy: -125.442 flat angles P-C4'-P energy: -81.314 tors. eta vs tors. theta energy: -160.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1693.689076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.689076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.689076 (E_RNA) where: Base-Base interactions energy: -1155.125 where: short stacking energy: -533.258 Base-Backbone interact. energy: -2.062 local terms energy: -536.502339 where: bonds (distance) C4'-P energy: -97.495 bonds (distance) P-C4' energy: -100.005 flat angles C4'-P-C4' energy: -101.580 flat angles P-C4'-P energy: -78.348 tors. eta vs tors. theta energy: -159.074 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: 484 Temperature: 1.000000 Total energy: -1599.654588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.654588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.654588 (E_RNA) where: Base-Base interactions energy: -1073.336 where: short stacking energy: -455.667 Base-Backbone interact. energy: 3.027 local terms energy: -529.345702 where: bonds (distance) C4'-P energy: -117.858 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -106.142 flat angles P-C4'-P energy: -73.228 tors. eta vs tors. theta energy: -133.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1422.288787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.288787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.288787 (E_RNA) where: Base-Base interactions energy: -927.785 where: short stacking energy: -449.310 Base-Backbone interact. energy: -1.657 local terms energy: -492.846675 where: bonds (distance) C4'-P energy: -87.999 bonds (distance) P-C4' energy: -103.902 flat angles C4'-P-C4' energy: -116.020 flat angles P-C4'-P energy: -58.610 tors. eta vs tors. theta energy: -126.316 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: 5, replica: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1444.942987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.942987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.942987 (E_RNA) where: Base-Base interactions energy: -986.983 where: short stacking energy: -415.198 Base-Backbone interact. energy: -4.467 local terms energy: -453.492594 where: bonds (distance) C4'-P energy: -84.599 bonds (distance) P-C4' energy: -88.600 flat angles C4'-P-C4' energy: -100.548 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -104.031 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: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1134.654391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.654391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.654391 (E_RNA) where: Base-Base interactions energy: -704.685 where: short stacking energy: -339.442 Base-Backbone interact. energy: -2.214 local terms energy: -427.755013 where: bonds (distance) C4'-P energy: -91.161 bonds (distance) P-C4' energy: -99.246 flat angles C4'-P-C4' energy: -93.812 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -85.887 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: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -994.334146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.334146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.334146 (E_RNA) where: Base-Base interactions energy: -582.818 where: short stacking energy: -274.154 Base-Backbone interact. energy: 0.042 local terms energy: -411.558094 where: bonds (distance) C4'-P energy: -81.948 bonds (distance) P-C4' energy: -99.285 flat angles C4'-P-C4' energy: -87.208 flat angles P-C4'-P energy: -69.305 tors. eta vs tors. theta energy: -73.812 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: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -848.395048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.395048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.395048 (E_RNA) where: Base-Base interactions energy: -498.556 where: short stacking energy: -250.267 Base-Backbone interact. energy: -3.328 local terms energy: -346.512030 where: bonds (distance) C4'-P energy: -99.718 bonds (distance) P-C4' energy: -84.533 flat angles C4'-P-C4' energy: -99.717 flat angles P-C4'-P energy: -43.050 tors. eta vs tors. theta energy: -19.493 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: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -676.079718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.079718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.079718 (E_RNA) where: Base-Base interactions energy: -352.176 where: short stacking energy: -174.769 Base-Backbone interact. energy: 0.929 local terms energy: -324.832770 where: bonds (distance) C4'-P energy: -89.621 bonds (distance) P-C4' energy: -99.541 flat angles C4'-P-C4' energy: -77.129 flat angles P-C4'-P energy: -38.791 tors. eta vs tors. theta energy: -19.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -442.287033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.287033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.287033 (E_RNA) where: Base-Base interactions energy: -186.751 where: short stacking energy: -141.194 Base-Backbone interact. energy: -2.434 local terms energy: -253.102274 where: bonds (distance) C4'-P energy: -71.725 bonds (distance) P-C4' energy: -80.407 flat angles C4'-P-C4' energy: -85.438 flat angles P-C4'-P energy: -38.006 tors. eta vs tors. theta energy: 22.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1743.772926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.772926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.772926 (E_RNA) where: Base-Base interactions energy: -1170.012 where: short stacking energy: -544.248 Base-Backbone interact. energy: -4.445 local terms energy: -569.316354 where: bonds (distance) C4'-P energy: -98.970 bonds (distance) P-C4' energy: -112.362 flat angles C4'-P-C4' energy: -123.043 flat angles P-C4'-P energy: -75.486 tors. eta vs tors. theta energy: -159.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1722.342328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.342328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.342328 (E_RNA) where: Base-Base interactions energy: -1165.443 where: short stacking energy: -515.886 Base-Backbone interact. energy: 0.172 local terms energy: -557.070887 where: bonds (distance) C4'-P energy: -101.333 bonds (distance) P-C4' energy: -96.705 flat angles C4'-P-C4' energy: -127.767 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -147.916 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: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1589.138322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.138322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.138322 (E_RNA) where: Base-Base interactions energy: -1074.629 where: short stacking energy: -476.336 Base-Backbone interact. energy: -0.577 local terms energy: -513.932825 where: bonds (distance) C4'-P energy: -100.952 bonds (distance) P-C4' energy: -99.443 flat angles C4'-P-C4' energy: -112.128 flat angles P-C4'-P energy: -73.991 tors. eta vs tors. theta energy: -127.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1448.318599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.318599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.318599 (E_RNA) where: Base-Base interactions energy: -958.074 where: short stacking energy: -414.139 Base-Backbone interact. energy: 0.352 local terms energy: -490.596537 where: bonds (distance) C4'-P energy: -92.366 bonds (distance) P-C4' energy: -103.838 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -71.969 tors. eta vs tors. theta energy: -112.992 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: 5, replica: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1351.068066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.068066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.068066 (E_RNA) where: Base-Base interactions energy: -893.589 where: short stacking energy: -408.576 Base-Backbone interact. energy: -0.895 local terms energy: -456.584402 where: bonds (distance) C4'-P energy: -85.152 bonds (distance) P-C4' energy: -91.531 flat angles C4'-P-C4' energy: -109.850 flat angles P-C4'-P energy: -64.561 tors. eta vs tors. theta energy: -105.490 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: 6, replica: 9 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1067.881715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.881715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.881715 (E_RNA) where: Base-Base interactions energy: -639.094 where: short stacking energy: -319.591 Base-Backbone interact. energy: -2.262 local terms energy: -426.525721 where: bonds (distance) C4'-P energy: -103.958 bonds (distance) P-C4' energy: -100.074 flat angles C4'-P-C4' energy: -90.288 flat angles P-C4'-P energy: -62.899 tors. eta vs tors. theta energy: -69.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1073.379153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.379153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.379153 (E_RNA) where: Base-Base interactions energy: -665.652 where: short stacking energy: -289.297 Base-Backbone interact. energy: -0.698 local terms energy: -407.029424 where: bonds (distance) C4'-P energy: -100.953 bonds (distance) P-C4' energy: -85.235 flat angles C4'-P-C4' energy: -92.569 flat angles P-C4'-P energy: -54.825 tors. eta vs tors. theta energy: -73.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -773.843350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.843350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.843350 (E_RNA) where: Base-Base interactions energy: -422.378 where: short stacking energy: -197.799 Base-Backbone interact. energy: -1.686 local terms energy: -349.779890 where: bonds (distance) C4'-P energy: -95.600 bonds (distance) P-C4' energy: -87.573 flat angles C4'-P-C4' energy: -87.438 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -27.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -683.585193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.585193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.585193 (E_RNA) where: Base-Base interactions energy: -336.343 where: short stacking energy: -188.186 Base-Backbone interact. energy: -1.014 local terms energy: -346.228452 where: bonds (distance) C4'-P energy: -88.319 bonds (distance) P-C4' energy: -100.791 flat angles C4'-P-C4' energy: -88.878 flat angles P-C4'-P energy: -48.273 tors. eta vs tors. theta energy: -19.967 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: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -458.228696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.228696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.228696 (E_RNA) where: Base-Base interactions energy: -160.662 where: short stacking energy: -112.158 Base-Backbone interact. energy: -3.170 local terms energy: -294.396465 where: bonds (distance) C4'-P energy: -75.219 bonds (distance) P-C4' energy: -87.526 flat angles C4'-P-C4' energy: -98.436 flat angles P-C4'-P energy: -50.704 tors. eta vs tors. theta energy: 17.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1757.847404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.847404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.847404 (E_RNA) where: Base-Base interactions energy: -1183.067 where: short stacking energy: -568.350 Base-Backbone interact. energy: -3.160 local terms energy: -571.621059 where: bonds (distance) C4'-P energy: -111.122 bonds (distance) P-C4' energy: -104.584 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -79.767 tors. eta vs tors. theta energy: -158.388 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: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1728.112817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.112817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.112817 (E_RNA) where: Base-Base interactions energy: -1141.722 where: short stacking energy: -496.125 Base-Backbone interact. energy: -1.282 local terms energy: -585.108268 where: bonds (distance) C4'-P energy: -120.812 bonds (distance) P-C4' energy: -117.307 flat angles C4'-P-C4' energy: -121.459 flat angles P-C4'-P energy: -88.335 tors. eta vs tors. theta energy: -137.196 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: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1578.606426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.606426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.606426 (E_RNA) where: Base-Base interactions energy: -1070.116 where: short stacking energy: -475.548 Base-Backbone interact. energy: 0.928 local terms energy: -509.419263 where: bonds (distance) C4'-P energy: -98.218 bonds (distance) P-C4' energy: -110.757 flat angles C4'-P-C4' energy: -99.467 flat angles P-C4'-P energy: -83.513 tors. eta vs tors. theta energy: -117.463 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: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1453.969517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.969517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.969517 (E_RNA) where: Base-Base interactions energy: -920.627 where: short stacking energy: -415.567 Base-Backbone interact. energy: -1.269 local terms energy: -532.073559 where: bonds (distance) C4'-P energy: -110.028 bonds (distance) P-C4' energy: -105.744 flat angles C4'-P-C4' energy: -120.888 flat angles P-C4'-P energy: -88.556 tors. eta vs tors. theta energy: -106.857 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: 486 Temperature: 1.100000 Total energy: -1392.635379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.635379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.635379 (E_RNA) where: Base-Base interactions energy: -920.724 where: short stacking energy: -414.006 Base-Backbone interact. energy: 0.244 local terms energy: -472.154904 where: bonds (distance) C4'-P energy: -99.389 bonds (distance) P-C4' energy: -109.331 flat angles C4'-P-C4' energy: -101.541 flat angles P-C4'-P energy: -62.626 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1066.213431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.213431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.213431 (E_RNA) where: Base-Base interactions energy: -647.588 where: short stacking energy: -301.920 Base-Backbone interact. energy: -2.655 local terms energy: -415.970714 where: bonds (distance) C4'-P energy: -97.916 bonds (distance) P-C4' energy: -101.314 flat angles C4'-P-C4' energy: -92.621 flat angles P-C4'-P energy: -67.411 tors. eta vs tors. theta energy: -56.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1067.195209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.195209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.195209 (E_RNA) where: Base-Base interactions energy: -657.269 where: short stacking energy: -319.759 Base-Backbone interact. energy: -3.478 local terms energy: -406.448368 where: bonds (distance) C4'-P energy: -75.696 bonds (distance) P-C4' energy: -105.689 flat angles C4'-P-C4' energy: -104.880 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -62.174 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: 10 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -806.813289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.813289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.813289 (E_RNA) where: Base-Base interactions energy: -475.697 where: short stacking energy: -229.172 Base-Backbone interact. energy: -0.873 local terms energy: -330.243148 where: bonds (distance) C4'-P energy: -85.875 bonds (distance) P-C4' energy: -84.973 flat angles C4'-P-C4' energy: -88.093 flat angles P-C4'-P energy: -48.004 tors. eta vs tors. theta energy: -23.298 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: 1 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -631.079890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.079890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.079890 (E_RNA) where: Base-Base interactions energy: -310.102 where: short stacking energy: -191.050 Base-Backbone interact. energy: -5.970 local terms energy: -315.007642 where: bonds (distance) C4'-P energy: -92.346 bonds (distance) P-C4' energy: -96.233 flat angles C4'-P-C4' energy: -76.080 flat angles P-C4'-P energy: -63.175 tors. eta vs tors. theta energy: 12.827 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: 486 Temperature: 1.350000 Total energy: -455.548486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.548486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.548486 (E_RNA) where: Base-Base interactions energy: -158.879 where: short stacking energy: -112.441 Base-Backbone interact. energy: 0.631 local terms energy: -297.300361 where: bonds (distance) C4'-P energy: -85.576 bonds (distance) P-C4' energy: -95.309 flat angles C4'-P-C4' energy: -93.540 flat angles P-C4'-P energy: -35.840 tors. eta vs tors. theta energy: 12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1757.596038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.596038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.596038 (E_RNA) where: Base-Base interactions energy: -1172.565 where: short stacking energy: -551.409 Base-Backbone interact. energy: -0.054 local terms energy: -584.976586 where: bonds (distance) C4'-P energy: -116.387 bonds (distance) P-C4' energy: -110.253 flat angles C4'-P-C4' energy: -134.544 flat angles P-C4'-P energy: -68.153 tors. eta vs tors. theta energy: -155.640 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: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1708.860893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.860893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.860893 (E_RNA) where: Base-Base interactions energy: -1161.501 where: short stacking energy: -509.485 Base-Backbone interact. energy: -3.387 local terms energy: -543.972507 where: bonds (distance) C4'-P energy: -110.925 bonds (distance) P-C4' energy: -107.347 flat angles C4'-P-C4' energy: -122.958 flat angles P-C4'-P energy: -60.641 tors. eta vs tors. theta energy: -142.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1624.805963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.805963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.805963 (E_RNA) where: Base-Base interactions energy: -1131.248 where: short stacking energy: -528.312 Base-Backbone interact. energy: 2.651 local terms energy: -496.208989 where: bonds (distance) C4'-P energy: -85.827 bonds (distance) P-C4' energy: -93.744 flat angles C4'-P-C4' energy: -118.161 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: -134.075 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: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1494.691323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.691323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.691323 (E_RNA) where: Base-Base interactions energy: -993.528 where: short stacking energy: -464.325 Base-Backbone interact. energy: -0.700 local terms energy: -500.463556 where: bonds (distance) C4'-P energy: -98.137 bonds (distance) P-C4' energy: -97.518 flat angles C4'-P-C4' energy: -107.057 flat angles P-C4'-P energy: -72.331 tors. eta vs tors. theta energy: -125.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1339.119517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.119517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.119517 (E_RNA) where: Base-Base interactions energy: -850.954 where: short stacking energy: -398.211 Base-Backbone interact. energy: -0.024 local terms energy: -488.140926 where: bonds (distance) C4'-P energy: -111.576 bonds (distance) P-C4' energy: -107.716 flat angles C4'-P-C4' energy: -107.527 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -108.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1075.802700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.802700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.802700 (E_RNA) where: Base-Base interactions energy: -659.094 where: short stacking energy: -321.248 Base-Backbone interact. energy: -0.898 local terms energy: -415.810414 where: bonds (distance) C4'-P energy: -105.279 bonds (distance) P-C4' energy: -95.318 flat angles C4'-P-C4' energy: -87.097 flat angles P-C4'-P energy: -58.696 tors. eta vs tors. theta energy: -69.420 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: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1064.528137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.528137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.528137 (E_RNA) where: Base-Base interactions energy: -651.296 where: short stacking energy: -310.442 Base-Backbone interact. energy: -0.604 local terms energy: -412.627759 where: bonds (distance) C4'-P energy: -107.385 bonds (distance) P-C4' energy: -90.923 flat angles C4'-P-C4' energy: -84.077 flat angles P-C4'-P energy: -63.872 tors. eta vs tors. theta energy: -66.371 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: 10 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -835.024583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.024583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.024583 (E_RNA) where: Base-Base interactions energy: -505.870 where: short stacking energy: -220.143 Base-Backbone interact. energy: 4.628 local terms energy: -333.782698 where: bonds (distance) C4'-P energy: -85.302 bonds (distance) P-C4' energy: -93.065 flat angles C4'-P-C4' energy: -96.055 flat angles P-C4'-P energy: -49.673 tors. eta vs tors. theta energy: -9.688 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: 9, replica: 1 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -678.246138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.246138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.246138 (E_RNA) where: Base-Base interactions energy: -345.847 where: short stacking energy: -182.341 Base-Backbone interact. energy: -2.507 local terms energy: -329.892022 where: bonds (distance) C4'-P energy: -90.024 bonds (distance) P-C4' energy: -98.815 flat angles C4'-P-C4' energy: -83.073 flat angles P-C4'-P energy: -46.853 tors. eta vs tors. theta energy: -11.127 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: 10, replica: 7 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -440.586277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.586277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.586277 (E_RNA) where: Base-Base interactions energy: -158.853 where: short stacking energy: -138.337 Base-Backbone interact. energy: -1.655 local terms energy: -280.078199 where: bonds (distance) C4'-P energy: -87.619 bonds (distance) P-C4' energy: -92.862 flat angles C4'-P-C4' energy: -61.340 flat angles P-C4'-P energy: -50.850 tors. eta vs tors. theta energy: 12.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1767.711611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.711611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.711611 (E_RNA) where: Base-Base interactions energy: -1161.479 where: short stacking energy: -537.117 Base-Backbone interact. energy: -2.813 local terms energy: -603.419761 where: bonds (distance) C4'-P energy: -103.087 bonds (distance) P-C4' energy: -123.453 flat angles C4'-P-C4' energy: -127.690 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -161.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1673.595534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.595534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.595534 (E_RNA) where: Base-Base interactions energy: -1132.235 where: short stacking energy: -507.308 Base-Backbone interact. energy: -3.131 local terms energy: -538.229318 where: bonds (distance) C4'-P energy: -101.979 bonds (distance) P-C4' energy: -106.901 flat angles C4'-P-C4' energy: -113.541 flat angles P-C4'-P energy: -77.668 tors. eta vs tors. theta energy: -138.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1591.048203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.048203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.048203 (E_RNA) where: Base-Base interactions energy: -1060.520 where: short stacking energy: -470.257 Base-Backbone interact. energy: 2.375 local terms energy: -532.903773 where: bonds (distance) C4'-P energy: -105.895 bonds (distance) P-C4' energy: -103.080 flat angles C4'-P-C4' energy: -117.166 flat angles P-C4'-P energy: -77.153 tors. eta vs tors. theta energy: -129.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1463.525618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.525618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.525618 (E_RNA) where: Base-Base interactions energy: -948.727 where: short stacking energy: -442.828 Base-Backbone interact. energy: -2.425 local terms energy: -512.373511 where: bonds (distance) C4'-P energy: -103.774 bonds (distance) P-C4' energy: -102.986 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -78.153 tors. eta vs tors. theta energy: -113.749 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: 488 Temperature: 1.100000 Total energy: -1327.935180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.935180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.935180 (E_RNA) where: Base-Base interactions energy: -879.196 where: short stacking energy: -392.091 Base-Backbone interact. energy: 2.628 local terms energy: -451.367050 where: bonds (distance) C4'-P energy: -100.359 bonds (distance) P-C4' energy: -114.335 flat angles C4'-P-C4' energy: -94.560 flat angles P-C4'-P energy: -52.494 tors. eta vs tors. theta energy: -89.618 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: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1069.166086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.166086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.166086 (E_RNA) where: Base-Base interactions energy: -667.072 where: short stacking energy: -331.659 Base-Backbone interact. energy: -0.368 local terms energy: -401.726287 where: bonds (distance) C4'-P energy: -88.174 bonds (distance) P-C4' energy: -88.541 flat angles C4'-P-C4' energy: -89.708 flat angles P-C4'-P energy: -73.250 tors. eta vs tors. theta energy: -62.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1051.111120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.111120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.111120 (E_RNA) where: Base-Base interactions energy: -634.138 where: short stacking energy: -306.618 Base-Backbone interact. energy: -2.575 local terms energy: -414.397333 where: bonds (distance) C4'-P energy: -95.012 bonds (distance) P-C4' energy: -91.365 flat angles C4'-P-C4' energy: -105.538 flat angles P-C4'-P energy: -57.912 tors. eta vs tors. theta energy: -64.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -822.545701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.545701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.545701 (E_RNA) where: Base-Base interactions energy: -453.609 where: short stacking energy: -243.357 Base-Backbone interact. energy: -1.488 local terms energy: -367.448234 where: bonds (distance) C4'-P energy: -75.446 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -101.777 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -29.633 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: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -643.493176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.493176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.493176 (E_RNA) where: Base-Base interactions energy: -337.355 where: short stacking energy: -186.629 Base-Backbone interact. energy: 7.632 local terms energy: -313.770379 where: bonds (distance) C4'-P energy: -84.725 bonds (distance) P-C4' energy: -96.553 flat angles C4'-P-C4' energy: -86.165 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -2.406 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: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -421.506334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.506334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.506334 (E_RNA) where: Base-Base interactions energy: -147.298 where: short stacking energy: -132.774 Base-Backbone interact. energy: -0.578 local terms energy: -273.630310 where: bonds (distance) C4'-P energy: -91.982 bonds (distance) P-C4' energy: -75.547 flat angles C4'-P-C4' energy: -82.985 flat angles P-C4'-P energy: -38.545 tors. eta vs tors. theta energy: 15.428 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: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1770.983267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.983267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.983267 (E_RNA) where: Base-Base interactions energy: -1188.101 where: short stacking energy: -562.281 Base-Backbone interact. energy: -2.280 local terms energy: -580.602763 where: bonds (distance) C4'-P energy: -97.669 bonds (distance) P-C4' energy: -116.679 flat angles C4'-P-C4' energy: -127.463 flat angles P-C4'-P energy: -84.349 tors. eta vs tors. theta energy: -154.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1698.634360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.634360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.634360 (E_RNA) where: Base-Base interactions energy: -1170.438 where: short stacking energy: -519.509 Base-Backbone interact. energy: -2.620 local terms energy: -525.576590 where: bonds (distance) C4'-P energy: -102.639 bonds (distance) P-C4' energy: -107.138 flat angles C4'-P-C4' energy: -109.419 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -133.578 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: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1573.697193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.697193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.697193 (E_RNA) where: Base-Base interactions energy: -1073.094 where: short stacking energy: -487.011 Base-Backbone interact. energy: 1.700 local terms energy: -502.303445 where: bonds (distance) C4'-P energy: -81.341 bonds (distance) P-C4' energy: -104.460 flat angles C4'-P-C4' energy: -112.023 flat angles P-C4'-P energy: -73.503 tors. eta vs tors. theta energy: -130.976 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: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1416.813594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.813594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.813594 (E_RNA) where: Base-Base interactions energy: -932.603 where: short stacking energy: -404.739 Base-Backbone interact. energy: 0.809 local terms energy: -485.019642 where: bonds (distance) C4'-P energy: -103.264 bonds (distance) P-C4' energy: -111.300 flat angles C4'-P-C4' energy: -99.390 flat angles P-C4'-P energy: -82.658 tors. eta vs tors. theta energy: -88.408 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: 489 Temperature: 1.100000 Total energy: -1300.019479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.019479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.019479 (E_RNA) where: Base-Base interactions energy: -836.556 where: short stacking energy: -387.455 Base-Backbone interact. energy: -2.228 local terms energy: -461.235608 where: bonds (distance) C4'-P energy: -86.124 bonds (distance) P-C4' energy: -110.450 flat angles C4'-P-C4' energy: -101.781 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: -98.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1026.784564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.784564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.784564 (E_RNA) where: Base-Base interactions energy: -604.301 where: short stacking energy: -309.352 Base-Backbone interact. energy: -2.234 local terms energy: -420.248884 where: bonds (distance) C4'-P energy: -103.742 bonds (distance) P-C4' energy: -109.916 flat angles C4'-P-C4' energy: -83.065 flat angles P-C4'-P energy: -63.639 tors. eta vs tors. theta energy: -59.887 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: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1155.201454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.201454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.201454 (E_RNA) where: Base-Base interactions energy: -718.396 where: short stacking energy: -319.076 Base-Backbone interact. energy: -2.029 local terms energy: -434.776577 where: bonds (distance) C4'-P energy: -98.185 bonds (distance) P-C4' energy: -107.340 flat angles C4'-P-C4' energy: -91.436 flat angles P-C4'-P energy: -68.032 tors. eta vs tors. theta energy: -69.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -807.352628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.352628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.352628 (E_RNA) where: Base-Base interactions energy: -460.930 where: short stacking energy: -246.935 Base-Backbone interact. energy: -4.198 local terms energy: -342.224535 where: bonds (distance) C4'-P energy: -82.206 bonds (distance) P-C4' energy: -102.488 flat angles C4'-P-C4' energy: -88.431 flat angles P-C4'-P energy: -47.451 tors. eta vs tors. theta energy: -21.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -639.748361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.748361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.748361 (E_RNA) where: Base-Base interactions energy: -312.477 where: short stacking energy: -179.421 Base-Backbone interact. energy: -4.130 local terms energy: -323.141528 where: bonds (distance) C4'-P energy: -87.529 bonds (distance) P-C4' energy: -94.949 flat angles C4'-P-C4' energy: -86.863 flat angles P-C4'-P energy: -48.306 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -415.562862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.562862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.562862 (E_RNA) where: Base-Base interactions energy: -152.826 where: short stacking energy: -118.964 Base-Backbone interact. energy: 5.365 local terms energy: -268.101967 where: bonds (distance) C4'-P energy: -90.531 bonds (distance) P-C4' energy: -87.425 flat angles C4'-P-C4' energy: -71.015 flat angles P-C4'-P energy: -31.543 tors. eta vs tors. theta energy: 12.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1749.914504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.914504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.914504 (E_RNA) where: Base-Base interactions energy: -1162.334 where: short stacking energy: -544.458 Base-Backbone interact. energy: -0.540 local terms energy: -587.039812 where: bonds (distance) C4'-P energy: -100.511 bonds (distance) P-C4' energy: -112.159 flat angles C4'-P-C4' energy: -133.155 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -160.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1722.697422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.697422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.697422 (E_RNA) where: Base-Base interactions energy: -1174.634 where: short stacking energy: -519.068 Base-Backbone interact. energy: -2.552 local terms energy: -545.511397 where: bonds (distance) C4'-P energy: -98.748 bonds (distance) P-C4' energy: -113.284 flat angles C4'-P-C4' energy: -118.130 flat angles P-C4'-P energy: -75.956 tors. eta vs tors. theta energy: -139.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1604.684441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.684441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.684441 (E_RNA) where: Base-Base interactions energy: -1084.177 where: short stacking energy: -474.801 Base-Backbone interact. energy: -3.282 local terms energy: -517.224699 where: bonds (distance) C4'-P energy: -100.918 bonds (distance) P-C4' energy: -101.821 flat angles C4'-P-C4' energy: -116.445 flat angles P-C4'-P energy: -76.495 tors. eta vs tors. theta energy: -121.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1461.335035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.335035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.335035 (E_RNA) where: Base-Base interactions energy: -981.379 where: short stacking energy: -446.493 Base-Backbone interact. energy: -5.179 local terms energy: -474.777269 where: bonds (distance) C4'-P energy: -99.480 bonds (distance) P-C4' energy: -93.331 flat angles C4'-P-C4' energy: -102.302 flat angles P-C4'-P energy: -67.664 tors. eta vs tors. theta energy: -112.000 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: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1326.772638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.772638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.772638 (E_RNA) where: Base-Base interactions energy: -861.176 where: short stacking energy: -376.637 Base-Backbone interact. energy: -3.428 local terms energy: -462.168208 where: bonds (distance) C4'-P energy: -95.303 bonds (distance) P-C4' energy: -104.435 flat angles C4'-P-C4' energy: -118.646 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -85.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1039.238291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.238291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.238291 (E_RNA) where: Base-Base interactions energy: -619.883 where: short stacking energy: -311.862 Base-Backbone interact. energy: 1.035 local terms energy: -420.390087 where: bonds (distance) C4'-P energy: -97.658 bonds (distance) P-C4' energy: -111.113 flat angles C4'-P-C4' energy: -95.716 flat angles P-C4'-P energy: -61.878 tors. eta vs tors. theta energy: -54.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1190.136594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.136594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.136594 (E_RNA) where: Base-Base interactions energy: -757.309 where: short stacking energy: -369.087 Base-Backbone interact. energy: 0.713 local terms energy: -433.540623 where: bonds (distance) C4'-P energy: -87.586 bonds (distance) P-C4' energy: -95.702 flat angles C4'-P-C4' energy: -109.981 flat angles P-C4'-P energy: -47.741 tors. eta vs tors. theta energy: -92.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -873.241322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.241322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.241322 (E_RNA) where: Base-Base interactions energy: -529.154 where: short stacking energy: -255.946 Base-Backbone interact. energy: 0.915 local terms energy: -345.002330 where: bonds (distance) C4'-P energy: -87.714 bonds (distance) P-C4' energy: -84.503 flat angles C4'-P-C4' energy: -86.470 flat angles P-C4'-P energy: -59.466 tors. eta vs tors. theta energy: -26.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -571.744374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.744374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.744374 (E_RNA) where: Base-Base interactions energy: -264.329 where: short stacking energy: -154.550 Base-Backbone interact. energy: 0.377 local terms energy: -307.792814 where: bonds (distance) C4'-P energy: -87.251 bonds (distance) P-C4' energy: -102.600 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -45.141 tors. eta vs tors. theta energy: 6.147 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: 490 Temperature: 1.350000 Total energy: -434.007861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.007861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.007861 (E_RNA) where: Base-Base interactions energy: -174.483 where: short stacking energy: -122.541 Base-Backbone interact. energy: -0.389 local terms energy: -259.135388 where: bonds (distance) C4'-P energy: -73.966 bonds (distance) P-C4' energy: -96.522 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -36.268 tors. eta vs tors. theta energy: 11.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1790.154413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.154413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.154413 (E_RNA) where: Base-Base interactions energy: -1193.413 where: short stacking energy: -547.688 Base-Backbone interact. energy: -4.308 local terms energy: -592.433985 where: bonds (distance) C4'-P energy: -111.192 bonds (distance) P-C4' energy: -111.724 flat angles C4'-P-C4' energy: -125.178 flat angles P-C4'-P energy: -78.835 tors. eta vs tors. theta energy: -165.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1676.624991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.624991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.624991 (E_RNA) where: Base-Base interactions energy: -1125.861 where: short stacking energy: -491.865 Base-Backbone interact. energy: -0.631 local terms energy: -550.133715 where: bonds (distance) C4'-P energy: -96.048 bonds (distance) P-C4' energy: -115.086 flat angles C4'-P-C4' energy: -125.331 flat angles P-C4'-P energy: -81.655 tors. eta vs tors. theta energy: -132.014 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: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1590.488475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.488475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.488475 (E_RNA) where: Base-Base interactions energy: -1082.102 where: short stacking energy: -448.858 Base-Backbone interact. energy: 0.275 local terms energy: -508.661122 where: bonds (distance) C4'-P energy: -97.563 bonds (distance) P-C4' energy: -98.359 flat angles C4'-P-C4' energy: -110.697 flat angles P-C4'-P energy: -76.801 tors. eta vs tors. theta energy: -125.241 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: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1481.687172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.687172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.687172 (E_RNA) where: Base-Base interactions energy: -1000.722 where: short stacking energy: -437.162 Base-Backbone interact. energy: 0.058 local terms energy: -481.023031 where: bonds (distance) C4'-P energy: -102.193 bonds (distance) P-C4' energy: -92.449 flat angles C4'-P-C4' energy: -106.584 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -111.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1300.342399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.342399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.342399 (E_RNA) where: Base-Base interactions energy: -849.515 where: short stacking energy: -393.942 Base-Backbone interact. energy: -3.339 local terms energy: -447.488213 where: bonds (distance) C4'-P energy: -99.378 bonds (distance) P-C4' energy: -100.839 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: -93.806 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: 6, replica: 4 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1165.500720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.500720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.500720 (E_RNA) where: Base-Base interactions energy: -710.375 where: short stacking energy: -352.460 Base-Backbone interact. energy: -1.597 local terms energy: -453.529426 where: bonds (distance) C4'-P energy: -109.857 bonds (distance) P-C4' energy: -105.653 flat angles C4'-P-C4' energy: -96.822 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -72.815 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: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1007.784470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.784470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.784470 (E_RNA) where: Base-Base interactions energy: -599.339 where: short stacking energy: -298.483 Base-Backbone interact. energy: 5.099 local terms energy: -413.544547 where: bonds (distance) C4'-P energy: -95.215 bonds (distance) P-C4' energy: -102.162 flat angles C4'-P-C4' energy: -91.337 flat angles P-C4'-P energy: -66.824 tors. eta vs tors. theta energy: -58.007 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: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -819.843355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.843355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.843355 (E_RNA) where: Base-Base interactions energy: -494.338 where: short stacking energy: -248.651 Base-Backbone interact. energy: -4.058 local terms energy: -321.447981 where: bonds (distance) C4'-P energy: -91.346 bonds (distance) P-C4' energy: -81.291 flat angles C4'-P-C4' energy: -85.917 flat angles P-C4'-P energy: -38.589 tors. eta vs tors. theta energy: -24.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -600.810866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.810866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.810866 (E_RNA) where: Base-Base interactions energy: -263.959 where: short stacking energy: -168.254 Base-Backbone interact. energy: 3.697 local terms energy: -340.549203 where: bonds (distance) C4'-P energy: -111.688 bonds (distance) P-C4' energy: -103.782 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -53.481 tors. eta vs tors. theta energy: -9.168 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: 491 Temperature: 1.350000 Total energy: -475.459183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.459183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.459183 (E_RNA) where: Base-Base interactions energy: -191.098 where: short stacking energy: -119.639 Base-Backbone interact. energy: -0.981 local terms energy: -283.379957 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -92.476 flat angles C4'-P-C4' energy: -73.185 flat angles P-C4'-P energy: -36.739 tors. eta vs tors. theta energy: 15.246 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: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1771.113472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.113472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.113472 (E_RNA) where: Base-Base interactions energy: -1175.682 where: short stacking energy: -542.693 Base-Backbone interact. energy: -3.097 local terms energy: -592.334990 where: bonds (distance) C4'-P energy: -116.672 bonds (distance) P-C4' energy: -107.363 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -82.293 tors. eta vs tors. theta energy: -161.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1703.752180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.752180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.752180 (E_RNA) where: Base-Base interactions energy: -1146.921 where: short stacking energy: -500.877 Base-Backbone interact. energy: -2.922 local terms energy: -553.909228 where: bonds (distance) C4'-P energy: -98.832 bonds (distance) P-C4' energy: -102.395 flat angles C4'-P-C4' energy: -126.083 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -133.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1561.995364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.995364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.995364 (E_RNA) where: Base-Base interactions energy: -1055.100 where: short stacking energy: -453.109 Base-Backbone interact. energy: 1.318 local terms energy: -508.213451 where: bonds (distance) C4'-P energy: -103.796 bonds (distance) P-C4' energy: -102.554 flat angles C4'-P-C4' energy: -112.535 flat angles P-C4'-P energy: -71.021 tors. eta vs tors. theta energy: -118.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1479.561029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.561029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.561029 (E_RNA) where: Base-Base interactions energy: -963.573 where: short stacking energy: -421.976 Base-Backbone interact. energy: -3.146 local terms energy: -512.842017 where: bonds (distance) C4'-P energy: -110.122 bonds (distance) P-C4' energy: -94.839 flat angles C4'-P-C4' energy: -116.901 flat angles P-C4'-P energy: -68.555 tors. eta vs tors. theta energy: -122.425 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: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1240.477145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.477145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.477145 (E_RNA) where: Base-Base interactions energy: -773.780 where: short stacking energy: -359.819 Base-Backbone interact. energy: 0.525 local terms energy: -467.221746 where: bonds (distance) C4'-P energy: -92.935 bonds (distance) P-C4' energy: -102.908 flat angles C4'-P-C4' energy: -106.185 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -83.180 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: 4 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1159.259461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.259461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.259461 (E_RNA) where: Base-Base interactions energy: -735.589 where: short stacking energy: -334.569 Base-Backbone interact. energy: -2.738 local terms energy: -420.932948 where: bonds (distance) C4'-P energy: -90.428 bonds (distance) P-C4' energy: -100.229 flat angles C4'-P-C4' energy: -92.739 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -75.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1041.453780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.453780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.453780 (E_RNA) where: Base-Base interactions energy: -649.228 where: short stacking energy: -326.738 Base-Backbone interact. energy: -1.926 local terms energy: -390.300361 where: bonds (distance) C4'-P energy: -81.121 bonds (distance) P-C4' energy: -96.144 flat angles C4'-P-C4' energy: -92.688 flat angles P-C4'-P energy: -60.091 tors. eta vs tors. theta energy: -60.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -833.985951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.985951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.985951 (E_RNA) where: Base-Base interactions energy: -491.455 where: short stacking energy: -245.540 Base-Backbone interact. energy: -1.435 local terms energy: -341.095801 where: bonds (distance) C4'-P energy: -65.409 bonds (distance) P-C4' energy: -88.010 flat angles C4'-P-C4' energy: -90.982 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: -19.789 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: 492 Temperature: 1.300000 Total energy: -514.044667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.044667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.044667 (E_RNA) where: Base-Base interactions energy: -221.814 where: short stacking energy: -155.100 Base-Backbone interact. energy: 0.572 local terms energy: -292.803265 where: bonds (distance) C4'-P energy: -79.235 bonds (distance) P-C4' energy: -87.871 flat angles C4'-P-C4' energy: -79.353 flat angles P-C4'-P energy: -47.347 tors. eta vs tors. theta energy: 1.002 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: 1 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -520.485767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.485767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.485767 (E_RNA) where: Base-Base interactions energy: -234.709 where: short stacking energy: -135.414 Base-Backbone interact. energy: -1.243 local terms energy: -284.533995 where: bonds (distance) C4'-P energy: -77.257 bonds (distance) P-C4' energy: -88.600 flat angles C4'-P-C4' energy: -77.198 flat angles P-C4'-P energy: -48.868 tors. eta vs tors. theta energy: 7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1752.071955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.071955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.071955 (E_RNA) where: Base-Base interactions energy: -1194.355 where: short stacking energy: -521.644 Base-Backbone interact. energy: -0.648 local terms energy: -557.068897 where: bonds (distance) C4'-P energy: -107.073 bonds (distance) P-C4' energy: -98.953 flat angles C4'-P-C4' energy: -117.157 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -152.428 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: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1697.582252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.582252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.582252 (E_RNA) where: Base-Base interactions energy: -1145.764 where: short stacking energy: -498.501 Base-Backbone interact. energy: 2.258 local terms energy: -554.075844 where: bonds (distance) C4'-P energy: -116.546 bonds (distance) P-C4' energy: -98.548 flat angles C4'-P-C4' energy: -121.829 flat angles P-C4'-P energy: -85.523 tors. eta vs tors. theta energy: -131.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1590.496585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.496585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.496585 (E_RNA) where: Base-Base interactions energy: -1059.693 where: short stacking energy: -472.733 Base-Backbone interact. energy: -1.284 local terms energy: -529.519633 where: bonds (distance) C4'-P energy: -107.499 bonds (distance) P-C4' energy: -111.606 flat angles C4'-P-C4' energy: -119.970 flat angles P-C4'-P energy: -66.433 tors. eta vs tors. theta energy: -124.011 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: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1447.098555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.098555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.098555 (E_RNA) where: Base-Base interactions energy: -955.123 where: short stacking energy: -435.167 Base-Backbone interact. energy: -2.720 local terms energy: -489.255575 where: bonds (distance) C4'-P energy: -103.877 bonds (distance) P-C4' energy: -100.845 flat angles C4'-P-C4' energy: -113.233 flat angles P-C4'-P energy: -68.510 tors. eta vs tors. theta energy: -102.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1251.311411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.311411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.311411 (E_RNA) where: Base-Base interactions energy: -805.011 where: short stacking energy: -387.196 Base-Backbone interact. energy: 2.113 local terms energy: -448.413684 where: bonds (distance) C4'-P energy: -82.760 bonds (distance) P-C4' energy: -96.496 flat angles C4'-P-C4' energy: -107.772 flat angles P-C4'-P energy: -71.624 tors. eta vs tors. theta energy: -89.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1224.177284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.177284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.177284 (E_RNA) where: Base-Base interactions energy: -786.247 where: short stacking energy: -366.355 Base-Backbone interact. energy: -1.163 local terms energy: -436.767955 where: bonds (distance) C4'-P energy: -80.796 bonds (distance) P-C4' energy: -94.450 flat angles C4'-P-C4' energy: -104.935 flat angles P-C4'-P energy: -78.090 tors. eta vs tors. theta energy: -78.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -982.182132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.182132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.182132 (E_RNA) where: Base-Base interactions energy: -590.901 where: short stacking energy: -275.066 Base-Backbone interact. energy: 0.229 local terms energy: -391.510037 where: bonds (distance) C4'-P energy: -100.381 bonds (distance) P-C4' energy: -102.154 flat angles C4'-P-C4' energy: -84.806 flat angles P-C4'-P energy: -51.955 tors. eta vs tors. theta energy: -52.214 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: 10 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -863.626783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.626783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.626783 (E_RNA) where: Base-Base interactions energy: -507.890 where: short stacking energy: -250.705 Base-Backbone interact. energy: -0.931 local terms energy: -354.805997 where: bonds (distance) C4'-P energy: -78.741 bonds (distance) P-C4' energy: -99.310 flat angles C4'-P-C4' energy: -89.109 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: -42.049 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: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -487.019022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.019022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.019022 (E_RNA) where: Base-Base interactions energy: -189.749 where: short stacking energy: -157.942 Base-Backbone interact. energy: 1.203 local terms energy: -298.473470 where: bonds (distance) C4'-P energy: -88.626 bonds (distance) P-C4' energy: -77.029 flat angles C4'-P-C4' energy: -78.280 flat angles P-C4'-P energy: -46.727 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -513.558428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.558428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.558428 (E_RNA) where: Base-Base interactions energy: -212.341 where: short stacking energy: -144.920 Base-Backbone interact. energy: -3.091 local terms energy: -298.126126 where: bonds (distance) C4'-P energy: -75.982 bonds (distance) P-C4' energy: -93.536 flat angles C4'-P-C4' energy: -95.550 flat angles P-C4'-P energy: -44.068 tors. eta vs tors. theta energy: 11.011 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: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1792.602813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.602813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.602813 (E_RNA) where: Base-Base interactions energy: -1208.646 where: short stacking energy: -555.604 Base-Backbone interact. energy: -1.881 local terms energy: -582.075505 where: bonds (distance) C4'-P energy: -110.451 bonds (distance) P-C4' energy: -117.856 flat angles C4'-P-C4' energy: -126.919 flat angles P-C4'-P energy: -73.685 tors. eta vs tors. theta energy: -153.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1693.805512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.805512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.805512 (E_RNA) where: Base-Base interactions energy: -1127.599 where: short stacking energy: -500.632 Base-Backbone interact. energy: -2.757 local terms energy: -563.450378 where: bonds (distance) C4'-P energy: -99.082 bonds (distance) P-C4' energy: -108.269 flat angles C4'-P-C4' energy: -132.914 flat angles P-C4'-P energy: -88.151 tors. eta vs tors. theta energy: -135.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1629.571598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.571598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.571598 (E_RNA) where: Base-Base interactions energy: -1122.922 where: short stacking energy: -479.929 Base-Backbone interact. energy: -6.612 local terms energy: -500.037309 where: bonds (distance) C4'-P energy: -85.138 bonds (distance) P-C4' energy: -98.969 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -73.484 tors. eta vs tors. theta energy: -130.366 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: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1460.303571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.303571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.303571 (E_RNA) where: Base-Base interactions energy: -945.447 where: short stacking energy: -432.708 Base-Backbone interact. energy: -2.370 local terms energy: -512.486532 where: bonds (distance) C4'-P energy: -107.274 bonds (distance) P-C4' energy: -104.285 flat angles C4'-P-C4' energy: -105.294 flat angles P-C4'-P energy: -72.245 tors. eta vs tors. theta energy: -123.387 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: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1219.121420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.121420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.121420 (E_RNA) where: Base-Base interactions energy: -765.545 where: short stacking energy: -385.125 Base-Backbone interact. energy: -2.451 local terms energy: -451.124926 where: bonds (distance) C4'-P energy: -100.985 bonds (distance) P-C4' energy: -94.635 flat angles C4'-P-C4' energy: -107.351 flat angles P-C4'-P energy: -59.418 tors. eta vs tors. theta energy: -88.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1193.831891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.831891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.831891 (E_RNA) where: Base-Base interactions energy: -738.324 where: short stacking energy: -326.090 Base-Backbone interact. energy: 0.356 local terms energy: -455.864059 where: bonds (distance) C4'-P energy: -105.029 bonds (distance) P-C4' energy: -98.655 flat angles C4'-P-C4' energy: -105.991 flat angles P-C4'-P energy: -64.512 tors. eta vs tors. theta energy: -81.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -992.012039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.012039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.012039 (E_RNA) where: Base-Base interactions energy: -585.956 where: short stacking energy: -262.155 Base-Backbone interact. energy: 2.507 local terms energy: -408.563163 where: bonds (distance) C4'-P energy: -100.554 bonds (distance) P-C4' energy: -104.012 flat angles C4'-P-C4' energy: -84.268 flat angles P-C4'-P energy: -69.818 tors. eta vs tors. theta energy: -49.911 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: 10 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -855.952740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.952740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.952740 (E_RNA) where: Base-Base interactions energy: -501.488 where: short stacking energy: -249.319 Base-Backbone interact. energy: -0.311 local terms energy: -354.153450 where: bonds (distance) C4'-P energy: -94.255 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -79.604 flat angles P-C4'-P energy: -40.239 tors. eta vs tors. theta energy: -34.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -475.458057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.458057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.458057 (E_RNA) where: Base-Base interactions energy: -170.294 where: short stacking energy: -128.113 Base-Backbone interact. energy: 2.278 local terms energy: -307.441843 where: bonds (distance) C4'-P energy: -84.303 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -81.962 flat angles P-C4'-P energy: -56.204 tors. eta vs tors. theta energy: 4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -499.764509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.764509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.764509 (E_RNA) where: Base-Base interactions energy: -176.727 where: short stacking energy: -107.251 Base-Backbone interact. energy: -0.582 local terms energy: -322.455775 where: bonds (distance) C4'-P energy: -85.552 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -94.362 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: 20.529 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: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1799.943397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.943397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.943397 (E_RNA) where: Base-Base interactions energy: -1228.468 where: short stacking energy: -557.311 Base-Backbone interact. energy: 1.932 local terms energy: -573.408014 where: bonds (distance) C4'-P energy: -101.162 bonds (distance) P-C4' energy: -109.280 flat angles C4'-P-C4' energy: -117.475 flat angles P-C4'-P energy: -89.015 tors. eta vs tors. theta energy: -156.476 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: 495 Temperature: 0.950000 Total energy: -1664.180635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.180635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.180635 (E_RNA) where: Base-Base interactions energy: -1100.721 where: short stacking energy: -488.758 Base-Backbone interact. energy: -5.452 local terms energy: -558.007398 where: bonds (distance) C4'-P energy: -112.920 bonds (distance) P-C4' energy: -116.999 flat angles C4'-P-C4' energy: -119.302 flat angles P-C4'-P energy: -75.444 tors. eta vs tors. theta energy: -133.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1637.158910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.158910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.158910 (E_RNA) where: Base-Base interactions energy: -1099.994 where: short stacking energy: -493.494 Base-Backbone interact. energy: 6.348 local terms energy: -543.512409 where: bonds (distance) C4'-P energy: -112.194 bonds (distance) P-C4' energy: -99.214 flat angles C4'-P-C4' energy: -119.279 flat angles P-C4'-P energy: -73.152 tors. eta vs tors. theta energy: -139.673 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: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1467.030348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.030348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.030348 (E_RNA) where: Base-Base interactions energy: -944.386 where: short stacking energy: -440.370 Base-Backbone interact. energy: -2.886 local terms energy: -519.758604 where: bonds (distance) C4'-P energy: -99.281 bonds (distance) P-C4' energy: -112.812 flat angles C4'-P-C4' energy: -117.880 flat angles P-C4'-P energy: -71.759 tors. eta vs tors. theta energy: -118.026 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: 495 Temperature: 1.100000 Total energy: -1267.028816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.028816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.028816 (E_RNA) where: Base-Base interactions energy: -818.182 where: short stacking energy: -372.694 Base-Backbone interact. energy: 0.898 local terms energy: -449.744866 where: bonds (distance) C4'-P energy: -94.691 bonds (distance) P-C4' energy: -103.890 flat angles C4'-P-C4' energy: -111.159 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -83.831 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: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1222.884009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.884009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.884009 (E_RNA) where: Base-Base interactions energy: -757.147 where: short stacking energy: -339.987 Base-Backbone interact. energy: -3.198 local terms energy: -462.539172 where: bonds (distance) C4'-P energy: -103.544 bonds (distance) P-C4' energy: -97.079 flat angles C4'-P-C4' energy: -110.803 flat angles P-C4'-P energy: -67.135 tors. eta vs tors. theta energy: -83.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -975.048992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.048992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.048992 (E_RNA) where: Base-Base interactions energy: -606.701 where: short stacking energy: -296.741 Base-Backbone interact. energy: -0.814 local terms energy: -367.534417 where: bonds (distance) C4'-P energy: -68.878 bonds (distance) P-C4' energy: -95.790 flat angles C4'-P-C4' energy: -102.604 flat angles P-C4'-P energy: -52.752 tors. eta vs tors. theta energy: -47.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -844.040596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.040596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.040596 (E_RNA) where: Base-Base interactions energy: -468.826 where: short stacking energy: -247.448 Base-Backbone interact. energy: 1.596 local terms energy: -376.811188 where: bonds (distance) C4'-P energy: -95.841 bonds (distance) P-C4' energy: -99.958 flat angles C4'-P-C4' energy: -98.976 flat angles P-C4'-P energy: -41.473 tors. eta vs tors. theta energy: -40.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -449.795024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.795024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.795024 (E_RNA) where: Base-Base interactions energy: -143.800 where: short stacking energy: -127.675 Base-Backbone interact. energy: -0.241 local terms energy: -305.754331 where: bonds (distance) C4'-P energy: -92.410 bonds (distance) P-C4' energy: -93.050 flat angles C4'-P-C4' energy: -94.155 flat angles P-C4'-P energy: -42.905 tors. eta vs tors. theta energy: 16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -479.277145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.277145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.277145 (E_RNA) where: Base-Base interactions energy: -176.085 where: short stacking energy: -97.489 Base-Backbone interact. energy: -1.755 local terms energy: -301.437648 where: bonds (distance) C4'-P energy: -89.629 bonds (distance) P-C4' energy: -84.079 flat angles C4'-P-C4' energy: -75.664 flat angles P-C4'-P energy: -64.469 tors. eta vs tors. theta energy: 12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1793.684832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.684832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.684832 (E_RNA) where: Base-Base interactions energy: -1202.529 where: short stacking energy: -554.301 Base-Backbone interact. energy: -1.129 local terms energy: -590.026767 where: bonds (distance) C4'-P energy: -108.796 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -124.719 flat angles P-C4'-P energy: -85.039 tors. eta vs tors. theta energy: -153.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1679.123321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.123321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.123321 (E_RNA) where: Base-Base interactions energy: -1132.982 where: short stacking energy: -483.227 Base-Backbone interact. energy: -4.670 local terms energy: -541.470669 where: bonds (distance) C4'-P energy: -114.862 bonds (distance) P-C4' energy: -102.200 flat angles C4'-P-C4' energy: -123.169 flat angles P-C4'-P energy: -66.154 tors. eta vs tors. theta energy: -135.086 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: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1653.664578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.664578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.664578 (E_RNA) where: Base-Base interactions energy: -1128.186 where: short stacking energy: -509.446 Base-Backbone interact. energy: -3.731 local terms energy: -521.747500 where: bonds (distance) C4'-P energy: -89.797 bonds (distance) P-C4' energy: -115.971 flat angles C4'-P-C4' energy: -111.614 flat angles P-C4'-P energy: -60.816 tors. eta vs tors. theta energy: -143.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1451.717739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.717739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.717739 (E_RNA) where: Base-Base interactions energy: -956.314 where: short stacking energy: -423.056 Base-Backbone interact. energy: 2.020 local terms energy: -497.423976 where: bonds (distance) C4'-P energy: -101.546 bonds (distance) P-C4' energy: -82.610 flat angles C4'-P-C4' energy: -112.077 flat angles P-C4'-P energy: -76.174 tors. eta vs tors. theta energy: -125.017 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: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1279.281577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.281577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.281577 (E_RNA) where: Base-Base interactions energy: -799.637 where: short stacking energy: -373.171 Base-Backbone interact. energy: 0.473 local terms energy: -480.117634 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -113.906 flat angles C4'-P-C4' energy: -109.363 flat angles P-C4'-P energy: -68.227 tors. eta vs tors. theta energy: -93.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1206.813032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.813032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.813032 (E_RNA) where: Base-Base interactions energy: -780.408 where: short stacking energy: -345.544 Base-Backbone interact. energy: -3.592 local terms energy: -422.812712 where: bonds (distance) C4'-P energy: -90.847 bonds (distance) P-C4' energy: -96.179 flat angles C4'-P-C4' energy: -100.109 flat angles P-C4'-P energy: -58.030 tors. eta vs tors. theta energy: -77.648 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: 7, replica: 10 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -847.055957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.055957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.055957 (E_RNA) where: Base-Base interactions energy: -457.186 where: short stacking energy: -244.245 Base-Backbone interact. energy: -3.128 local terms energy: -386.742619 where: bonds (distance) C4'-P energy: -86.605 bonds (distance) P-C4' energy: -93.101 flat angles C4'-P-C4' energy: -88.928 flat angles P-C4'-P energy: -66.982 tors. eta vs tors. theta energy: -51.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -891.127580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.127580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.127580 (E_RNA) where: Base-Base interactions energy: -555.124 where: short stacking energy: -276.998 Base-Backbone interact. energy: 5.769 local terms energy: -341.772437 where: bonds (distance) C4'-P energy: -92.058 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -77.977 flat angles P-C4'-P energy: -47.903 tors. eta vs tors. theta energy: -31.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -456.383822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.383822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.383822 (E_RNA) where: Base-Base interactions energy: -163.340 where: short stacking energy: -145.886 Base-Backbone interact. energy: 3.718 local terms energy: -296.761754 where: bonds (distance) C4'-P energy: -90.347 bonds (distance) P-C4' energy: -84.503 flat angles C4'-P-C4' energy: -81.449 flat angles P-C4'-P energy: -41.245 tors. eta vs tors. theta energy: 0.782 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: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -478.607266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.607266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.607266 (E_RNA) where: Base-Base interactions energy: -198.127 where: short stacking energy: -136.064 Base-Backbone interact. energy: -0.257 local terms energy: -280.222756 where: bonds (distance) C4'-P energy: -86.441 bonds (distance) P-C4' energy: -85.315 flat angles C4'-P-C4' energy: -84.378 flat angles P-C4'-P energy: -38.070 tors. eta vs tors. theta energy: 13.981 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: 1, replica: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1786.825468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.825468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.825468 (E_RNA) where: Base-Base interactions energy: -1209.188 where: short stacking energy: -544.525 Base-Backbone interact. energy: -0.647 local terms energy: -576.990484 where: bonds (distance) C4'-P energy: -118.503 bonds (distance) P-C4' energy: -102.750 flat angles C4'-P-C4' energy: -121.887 flat angles P-C4'-P energy: -82.848 tors. eta vs tors. theta energy: -151.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1716.643066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.643066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.643066 (E_RNA) where: Base-Base interactions energy: -1175.685 where: short stacking energy: -495.059 Base-Backbone interact. energy: -0.913 local terms energy: -540.044491 where: bonds (distance) C4'-P energy: -113.801 bonds (distance) P-C4' energy: -97.555 flat angles C4'-P-C4' energy: -125.421 flat angles P-C4'-P energy: -82.056 tors. eta vs tors. theta energy: -121.212 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: 2 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1665.341371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.341371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.341371 (E_RNA) where: Base-Base interactions energy: -1126.337 where: short stacking energy: -486.401 Base-Backbone interact. energy: 3.114 local terms energy: -542.117601 where: bonds (distance) C4'-P energy: -113.626 bonds (distance) P-C4' energy: -102.311 flat angles C4'-P-C4' energy: -112.510 flat angles P-C4'-P energy: -77.303 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: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1470.236237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.236237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.236237 (E_RNA) where: Base-Base interactions energy: -962.203 where: short stacking energy: -443.531 Base-Backbone interact. energy: -0.724 local terms energy: -507.308585 where: bonds (distance) C4'-P energy: -97.711 bonds (distance) P-C4' energy: -110.080 flat angles C4'-P-C4' energy: -110.609 flat angles P-C4'-P energy: -74.809 tors. eta vs tors. theta energy: -114.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1268.273616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.273616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.273616 (E_RNA) where: Base-Base interactions energy: -802.890 where: short stacking energy: -387.446 Base-Backbone interact. energy: -2.138 local terms energy: -463.245541 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -100.045 flat angles C4'-P-C4' energy: -103.733 flat angles P-C4'-P energy: -53.707 tors. eta vs tors. theta energy: -98.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1153.051633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.051633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.051633 (E_RNA) where: Base-Base interactions energy: -707.423 where: short stacking energy: -330.611 Base-Backbone interact. energy: -4.172 local terms energy: -441.456644 where: bonds (distance) C4'-P energy: -107.706 bonds (distance) P-C4' energy: -107.802 flat angles C4'-P-C4' energy: -103.079 flat angles P-C4'-P energy: -48.561 tors. eta vs tors. theta energy: -74.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -869.740219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.740219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.740219 (E_RNA) where: Base-Base interactions energy: -495.292 where: short stacking energy: -230.218 Base-Backbone interact. energy: -1.164 local terms energy: -373.284594 where: bonds (distance) C4'-P energy: -76.021 bonds (distance) P-C4' energy: -108.459 flat angles C4'-P-C4' energy: -90.290 flat angles P-C4'-P energy: -65.219 tors. eta vs tors. theta energy: -33.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -881.012090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.012090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.012090 (E_RNA) where: Base-Base interactions energy: -522.397 where: short stacking energy: -250.864 Base-Backbone interact. energy: -1.710 local terms energy: -356.905387 where: bonds (distance) C4'-P energy: -91.108 bonds (distance) P-C4' energy: -92.460 flat angles C4'-P-C4' energy: -99.239 flat angles P-C4'-P energy: -53.634 tors. eta vs tors. theta energy: -20.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -515.819982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.819982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.819982 (E_RNA) where: Base-Base interactions energy: -231.787 where: short stacking energy: -151.747 Base-Backbone interact. energy: 1.501 local terms energy: -285.534070 where: bonds (distance) C4'-P energy: -89.021 bonds (distance) P-C4' energy: -94.102 flat angles C4'-P-C4' energy: -80.996 flat angles P-C4'-P energy: -37.047 tors. eta vs tors. theta energy: 15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -532.053812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.053812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.053812 (E_RNA) where: Base-Base interactions energy: -239.258 where: short stacking energy: -163.502 Base-Backbone interact. energy: 6.702 local terms energy: -299.497727 where: bonds (distance) C4'-P energy: -72.138 bonds (distance) P-C4' energy: -94.331 flat angles C4'-P-C4' energy: -93.112 flat angles P-C4'-P energy: -48.825 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: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1805.364681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.364681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.364681 (E_RNA) where: Base-Base interactions energy: -1223.265 where: short stacking energy: -556.985 Base-Backbone interact. energy: -1.390 local terms energy: -580.709062 where: bonds (distance) C4'-P energy: -111.881 bonds (distance) P-C4' energy: -108.612 flat angles C4'-P-C4' energy: -129.805 flat angles P-C4'-P energy: -74.527 tors. eta vs tors. theta energy: -155.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1678.117253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.117253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.117253 (E_RNA) where: Base-Base interactions energy: -1116.994 where: short stacking energy: -489.090 Base-Backbone interact. energy: 0.644 local terms energy: -561.767582 where: bonds (distance) C4'-P energy: -110.826 bonds (distance) P-C4' energy: -116.210 flat angles C4'-P-C4' energy: -119.945 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -129.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1622.173405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.173405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.173405 (E_RNA) where: Base-Base interactions energy: -1108.794 where: short stacking energy: -474.568 Base-Backbone interact. energy: 0.642 local terms energy: -514.021025 where: bonds (distance) C4'-P energy: -101.838 bonds (distance) P-C4' energy: -106.126 flat angles C4'-P-C4' energy: -116.503 flat angles P-C4'-P energy: -76.462 tors. eta vs tors. theta energy: -113.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1440.826703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.826703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.826703 (E_RNA) where: Base-Base interactions energy: -948.312 where: short stacking energy: -434.043 Base-Backbone interact. energy: -0.531 local terms energy: -491.983422 where: bonds (distance) C4'-P energy: -89.218 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -104.669 flat angles P-C4'-P energy: -77.603 tors. eta vs tors. theta energy: -104.135 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: 4 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1277.275600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.275600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.275600 (E_RNA) where: Base-Base interactions energy: -828.366 where: short stacking energy: -412.113 Base-Backbone interact. energy: -1.782 local terms energy: -447.126887 where: bonds (distance) C4'-P energy: -93.779 bonds (distance) P-C4' energy: -91.009 flat angles C4'-P-C4' energy: -98.123 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -103.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1156.336835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.336835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.336835 (E_RNA) where: Base-Base interactions energy: -702.805 where: short stacking energy: -350.026 Base-Backbone interact. energy: -0.335 local terms energy: -453.195980 where: bonds (distance) C4'-P energy: -90.695 bonds (distance) P-C4' energy: -98.125 flat angles C4'-P-C4' energy: -106.306 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -82.724 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: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -868.426451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.426451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.426451 (E_RNA) where: Base-Base interactions energy: -492.708 where: short stacking energy: -251.099 Base-Backbone interact. energy: -1.952 local terms energy: -373.766858 where: bonds (distance) C4'-P energy: -93.931 bonds (distance) P-C4' energy: -92.275 flat angles C4'-P-C4' energy: -108.602 flat angles P-C4'-P energy: -63.679 tors. eta vs tors. theta energy: -15.280 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: 498 Temperature: 1.250000 Total energy: -850.057809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.057809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.057809 (E_RNA) where: Base-Base interactions energy: -483.407 where: short stacking energy: -248.355 Base-Backbone interact. energy: -1.116 local terms energy: -365.534583 where: bonds (distance) C4'-P energy: -81.115 bonds (distance) P-C4' energy: -88.216 flat angles C4'-P-C4' energy: -102.101 flat angles P-C4'-P energy: -54.960 tors. eta vs tors. theta energy: -39.143 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: 9, replica: 7 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -531.919302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.919302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.919302 (E_RNA) where: Base-Base interactions energy: -215.816 where: short stacking energy: -150.903 Base-Backbone interact. energy: 1.576 local terms energy: -317.679604 where: bonds (distance) C4'-P energy: -87.236 bonds (distance) P-C4' energy: -99.413 flat angles C4'-P-C4' energy: -69.373 flat angles P-C4'-P energy: -66.374 tors. eta vs tors. theta energy: 4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -493.898168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.898168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.898168 (E_RNA) where: Base-Base interactions energy: -219.720 where: short stacking energy: -131.748 Base-Backbone interact. energy: -2.947 local terms energy: -271.231742 where: bonds (distance) C4'-P energy: -93.744 bonds (distance) P-C4' energy: -89.724 flat angles C4'-P-C4' energy: -60.298 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: 23.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1755.259468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.259468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.259468 (E_RNA) where: Base-Base interactions energy: -1186.787 where: short stacking energy: -533.079 Base-Backbone interact. energy: -1.427 local terms energy: -567.046215 where: bonds (distance) C4'-P energy: -101.796 bonds (distance) P-C4' energy: -114.657 flat angles C4'-P-C4' energy: -122.094 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -150.846 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: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1668.854767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.854767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.854767 (E_RNA) where: Base-Base interactions energy: -1123.466 where: short stacking energy: -502.611 Base-Backbone interact. energy: -3.318 local terms energy: -542.070641 where: bonds (distance) C4'-P energy: -91.951 bonds (distance) P-C4' energy: -114.454 flat angles C4'-P-C4' energy: -123.429 flat angles P-C4'-P energy: -79.030 tors. eta vs tors. theta energy: -133.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1610.759155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.759155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.759155 (E_RNA) where: Base-Base interactions energy: -1081.370 where: short stacking energy: -463.403 Base-Backbone interact. energy: -0.095 local terms energy: -529.294728 where: bonds (distance) C4'-P energy: -94.358 bonds (distance) P-C4' energy: -111.967 flat angles C4'-P-C4' energy: -111.253 flat angles P-C4'-P energy: -74.724 tors. eta vs tors. theta energy: -136.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1443.048617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.048617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.048617 (E_RNA) where: Base-Base interactions energy: -924.800 where: short stacking energy: -422.842 Base-Backbone interact. energy: -1.772 local terms energy: -516.476898 where: bonds (distance) C4'-P energy: -88.177 bonds (distance) P-C4' energy: -97.658 flat angles C4'-P-C4' energy: -133.519 flat angles P-C4'-P energy: -74.540 tors. eta vs tors. theta energy: -122.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1225.138428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.138428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.138428 (E_RNA) where: Base-Base interactions energy: -787.675 where: short stacking energy: -351.981 Base-Backbone interact. energy: 1.052 local terms energy: -438.515274 where: bonds (distance) C4'-P energy: -89.464 bonds (distance) P-C4' energy: -103.277 flat angles C4'-P-C4' energy: -100.342 flat angles P-C4'-P energy: -67.547 tors. eta vs tors. theta energy: -77.885 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: 6, replica: 5 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1235.764995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.764995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.764995 (E_RNA) where: Base-Base interactions energy: -786.356 where: short stacking energy: -379.662 Base-Backbone interact. energy: -0.677 local terms energy: -448.732039 where: bonds (distance) C4'-P energy: -93.194 bonds (distance) P-C4' energy: -103.425 flat angles C4'-P-C4' energy: -97.769 flat angles P-C4'-P energy: -60.748 tors. eta vs tors. theta energy: -93.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -937.130425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.130425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.130425 (E_RNA) where: Base-Base interactions energy: -536.645 where: short stacking energy: -280.170 Base-Backbone interact. energy: -2.747 local terms energy: -397.739373 where: bonds (distance) C4'-P energy: -110.410 bonds (distance) P-C4' energy: -99.734 flat angles C4'-P-C4' energy: -77.191 flat angles P-C4'-P energy: -70.347 tors. eta vs tors. theta energy: -40.059 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: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -782.644931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.644931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.644931 (E_RNA) where: Base-Base interactions energy: -454.833 where: short stacking energy: -228.846 Base-Backbone interact. energy: -3.954 local terms energy: -323.857615 where: bonds (distance) C4'-P energy: -78.940 bonds (distance) P-C4' energy: -99.793 flat angles C4'-P-C4' energy: -92.220 flat angles P-C4'-P energy: -37.903 tors. eta vs tors. theta energy: -15.001 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: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -489.523184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.523184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.523184 (E_RNA) where: Base-Base interactions energy: -193.351 where: short stacking energy: -148.860 Base-Backbone interact. energy: -2.901 local terms energy: -293.270703 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -87.246 flat angles C4'-P-C4' energy: -84.316 flat angles P-C4'-P energy: -50.426 tors. eta vs tors. theta energy: 15.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -468.363664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.363664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.363664 (E_RNA) where: Base-Base interactions energy: -187.586 where: short stacking energy: -120.051 Base-Backbone interact. energy: 5.108 local terms energy: -285.885872 where: bonds (distance) C4'-P energy: -95.709 bonds (distance) P-C4' energy: -77.640 flat angles C4'-P-C4' energy: -91.584 flat angles P-C4'-P energy: -48.463 tors. eta vs tors. theta energy: 27.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1772.041753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.041753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.041753 (E_RNA) where: Base-Base interactions energy: -1211.474 where: short stacking energy: -539.062 Base-Backbone interact. energy: -0.852 local terms energy: -559.716266 where: bonds (distance) C4'-P energy: -102.896 bonds (distance) P-C4' energy: -103.923 flat angles C4'-P-C4' energy: -124.415 flat angles P-C4'-P energy: -84.710 tors. eta vs tors. theta energy: -143.773 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: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1728.294484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.294484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.294484 (E_RNA) where: Base-Base interactions energy: -1184.184 where: short stacking energy: -525.480 Base-Backbone interact. energy: -3.779 local terms energy: -540.330845 where: bonds (distance) C4'-P energy: -98.573 bonds (distance) P-C4' energy: -113.663 flat angles C4'-P-C4' energy: -114.221 flat angles P-C4'-P energy: -74.334 tors. eta vs tors. theta energy: -139.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1635.766944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.766944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.766944 (E_RNA) where: Base-Base interactions energy: -1121.491 where: short stacking energy: -460.724 Base-Backbone interact. energy: -1.476 local terms energy: -512.799790 where: bonds (distance) C4'-P energy: -106.324 bonds (distance) P-C4' energy: -82.452 flat angles C4'-P-C4' energy: -121.737 flat angles P-C4'-P energy: -78.559 tors. eta vs tors. theta energy: -123.728 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: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1432.468587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.468587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.468587 (E_RNA) where: Base-Base interactions energy: -956.936 where: short stacking energy: -428.969 Base-Backbone interact. energy: -1.319 local terms energy: -474.214377 where: bonds (distance) C4'-P energy: -93.842 bonds (distance) P-C4' energy: -97.696 flat angles C4'-P-C4' energy: -114.143 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: -105.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1273.645319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.645319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.645319 (E_RNA) where: Base-Base interactions energy: -806.843 where: short stacking energy: -365.529 Base-Backbone interact. energy: 3.129 local terms energy: -469.931688 where: bonds (distance) C4'-P energy: -111.893 bonds (distance) P-C4' energy: -95.921 flat angles C4'-P-C4' energy: -101.698 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: -84.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1227.182049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.182049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.182049 (E_RNA) where: Base-Base interactions energy: -788.003 where: short stacking energy: -362.122 Base-Backbone interact. energy: 0.254 local terms energy: -439.432246 where: bonds (distance) C4'-P energy: -90.832 bonds (distance) P-C4' energy: -105.133 flat angles C4'-P-C4' energy: -93.334 flat angles P-C4'-P energy: -62.861 tors. eta vs tors. theta energy: -87.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -944.082776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.082776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.082776 (E_RNA) where: Base-Base interactions energy: -592.117 where: short stacking energy: -265.522 Base-Backbone interact. energy: -0.436 local terms energy: -351.530181 where: bonds (distance) C4'-P energy: -92.164 bonds (distance) P-C4' energy: -85.704 flat angles C4'-P-C4' energy: -103.122 flat angles P-C4'-P energy: -47.526 tors. eta vs tors. theta energy: -23.014 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: 8, replica: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -812.445317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.445317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.445317 (E_RNA) where: Base-Base interactions energy: -455.616 where: short stacking energy: -243.803 Base-Backbone interact. energy: -1.222 local terms energy: -355.607832 where: bonds (distance) C4'-P energy: -92.937 bonds (distance) P-C4' energy: -88.997 flat angles C4'-P-C4' energy: -85.317 flat angles P-C4'-P energy: -54.926 tors. eta vs tors. theta energy: -33.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -614.086205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.086205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.086205 (E_RNA) where: Base-Base interactions energy: -295.314 where: short stacking energy: -193.016 Base-Backbone interact. energy: 2.589 local terms energy: -321.361520 where: bonds (distance) C4'-P energy: -86.297 bonds (distance) P-C4' energy: -91.945 flat angles C4'-P-C4' energy: -77.921 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: -9.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -437.648991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.648991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.648991 (E_RNA) where: Base-Base interactions energy: -172.177 where: short stacking energy: -138.466 Base-Backbone interact. energy: 3.762 local terms energy: -269.234565 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -74.554 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: 8.924 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: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1804.936303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.936303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.936303 (E_RNA) where: Base-Base interactions energy: -1224.149 where: short stacking energy: -572.059 Base-Backbone interact. energy: 0.091 local terms energy: -580.878067 where: bonds (distance) C4'-P energy: -108.202 bonds (distance) P-C4' energy: -109.267 flat angles C4'-P-C4' energy: -127.840 flat angles P-C4'-P energy: -83.141 tors. eta vs tors. theta energy: -152.428 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: 501 Temperature: 0.950000 Total energy: -1682.090683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.090683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.090683 (E_RNA) where: Base-Base interactions energy: -1121.403 where: short stacking energy: -480.061 Base-Backbone interact. energy: -4.510 local terms energy: -556.178027 where: bonds (distance) C4'-P energy: -105.469 bonds (distance) P-C4' energy: -117.897 flat angles C4'-P-C4' energy: -123.506 flat angles P-C4'-P energy: -74.976 tors. eta vs tors. theta energy: -134.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1637.078801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.078801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.078801 (E_RNA) where: Base-Base interactions energy: -1091.698 where: short stacking energy: -492.970 Base-Backbone interact. energy: 0.785 local terms energy: -546.165121 where: bonds (distance) C4'-P energy: -103.517 bonds (distance) P-C4' energy: -117.004 flat angles C4'-P-C4' energy: -114.760 flat angles P-C4'-P energy: -73.309 tors. eta vs tors. theta energy: -137.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1420.364616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.364616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.364616 (E_RNA) where: Base-Base interactions energy: -929.969 where: short stacking energy: -428.101 Base-Backbone interact. energy: -1.679 local terms energy: -488.716638 where: bonds (distance) C4'-P energy: -112.580 bonds (distance) P-C4' energy: -91.862 flat angles C4'-P-C4' energy: -100.745 flat angles P-C4'-P energy: -67.325 tors. eta vs tors. theta energy: -116.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1272.627132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.627132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.627132 (E_RNA) where: Base-Base interactions energy: -846.232 where: short stacking energy: -382.120 Base-Backbone interact. energy: -0.696 local terms energy: -425.699607 where: bonds (distance) C4'-P energy: -79.904 bonds (distance) P-C4' energy: -98.078 flat angles C4'-P-C4' energy: -94.446 flat angles P-C4'-P energy: -62.939 tors. eta vs tors. theta energy: -90.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1234.463292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.463292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.463292 (E_RNA) where: Base-Base interactions energy: -775.404 where: short stacking energy: -375.609 Base-Backbone interact. energy: 3.183 local terms energy: -462.241405 where: bonds (distance) C4'-P energy: -94.706 bonds (distance) P-C4' energy: -115.709 flat angles C4'-P-C4' energy: -97.246 flat angles P-C4'-P energy: -61.796 tors. eta vs tors. theta energy: -92.785 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: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -934.360920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.360920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.360920 (E_RNA) where: Base-Base interactions energy: -550.356 where: short stacking energy: -272.638 Base-Backbone interact. energy: -1.979 local terms energy: -382.025651 where: bonds (distance) C4'-P energy: -96.777 bonds (distance) P-C4' energy: -96.999 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -53.302 tors. eta vs tors. theta energy: -40.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -858.019663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.019663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.019663 (E_RNA) where: Base-Base interactions energy: -512.742 where: short stacking energy: -248.476 Base-Backbone interact. energy: 2.290 local terms energy: -347.567823 where: bonds (distance) C4'-P energy: -93.617 bonds (distance) P-C4' energy: -82.064 flat angles C4'-P-C4' energy: -84.394 flat angles P-C4'-P energy: -56.089 tors. eta vs tors. theta energy: -31.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -608.993615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.993615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.993615 (E_RNA) where: Base-Base interactions energy: -284.119 where: short stacking energy: -178.180 Base-Backbone interact. energy: -1.587 local terms energy: -323.287262 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -83.422 flat angles C4'-P-C4' energy: -77.423 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: -23.408 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: 1 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -491.866298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.866298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.866298 (E_RNA) where: Base-Base interactions energy: -213.634 where: short stacking energy: -168.624 Base-Backbone interact. energy: -2.302 local terms energy: -275.930226 where: bonds (distance) C4'-P energy: -69.234 bonds (distance) P-C4' energy: -94.252 flat angles C4'-P-C4' energy: -56.978 flat angles P-C4'-P energy: -51.604 tors. eta vs tors. theta energy: -3.862 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) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 117231663 moves confirmed later: 132678293 all moves confirmed: 249909956 percent of confirmed moves: 31.238744 current total energy: -1647.884781 recalc. total energy: -1647.884781 replica 3 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 101908861 moves confirmed later: 112043702 all moves confirmed: 213952563 percent of confirmed moves: 26.744070 current total energy: -1568.553573 recalc. total energy: -1568.553573 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 86813863 moves confirmed later: 92496810 all moves confirmed: 179310673 percent of confirmed moves: 22.413834 current total energy: -1562.463494 recalc. total energy: -1562.463494 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 112387999 moves confirmed later: 125292063 all moves confirmed: 237680062 percent of confirmed moves: 29.710008 current total energy: -1289.833719 recalc. total energy: -1289.833719 replica 4 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 115396503 moves confirmed later: 129305517 all moves confirmed: 244702020 percent of confirmed moves: 30.587753 current total energy: -1182.376706 recalc. total energy: -1182.376706 replica 5 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 137283094 moves confirmed later: 159013048 all moves confirmed: 296296142 percent of confirmed moves: 37.037018 current total energy: -961.585549 recalc. total energy: -961.585549 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 188056645 moves confirmed later: 225081516 all moves confirmed: 413138161 percent of confirmed moves: 51.642270 current total energy: -794.386871 recalc. total energy: -794.386871 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 171955427 moves confirmed later: 204117506 all moves confirmed: 376072933 percent of confirmed moves: 47.009117 current total energy: -736.863706 recalc. total energy: -736.863706 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 186748867 moves confirmed later: 223000842 all moves confirmed: 409749709 percent of confirmed moves: 51.218714 current total energy: -356.383855 recalc. total energy: -356.383855 replica 1 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 192296820 moves confirmed later: 230338746 all moves confirmed: 422635566 percent of confirmed moves: 52.829446 current total energy: -325.501293 recalc. total energy: -325.501293 out arg RESULTS//1/U12-93432f4b_01 Time of doing 8000000 iterations: 25721.314 seconds